Gaussian 16 GINC-MAGINET212 SOLE Title Card Required ES64L-G16RevA.03 17-Nov-2025 Gaussian 16 25-Dec-2016 ES64L-G16RevA.03 UB3LYP Gen FOpt #popt freq b3lyp/gen EmpiricalDispersion=GD3BJ pseudo=read scrf=(solvent=n,n-DiMethylFormamide,pcm) nosymm pop=(Orbitals=20) 208.1738999999999 0 2 AuxInfo=1/0/N:14,18,29,25,27,4,5,23,24,3,6,22,2,1,7,12,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3/rA:32nC3C3C3C3C3C3C3HHHHNNCHHHCHHHC3C3C3C3HC3HC3HHH/rB:s1;s2;s3;s4;s1s5;;s3;s4;s5;s6;s2s7;s1s7;s12;s14;s14;s14;s13;s18;s18;s18;s7;s22;s22;s23;s23;s24;s24;s25s27;s25;s27;s29;/rC:-8.8845,2.9042,.0919;-7.4387,2.9042,.0919;-6.74,4.0946,.0919;-7.4665,5.2971,.0921;-8.8565,5.2971,.0922;-9.583,4.0946,.0922;-8.1619,.699,.0916;-5.6412,4.1112,.0918;-6.9205,6.2524,.0921;-9.4025,6.2523,.0924;-10.6818,4.1114,.0924;-7.0117,1.5106,.0918;-9.3115,1.5105,.0917;-5.6208,1.035,.0918;-5.1206,1.3953,-.7828;-5.1196,1.3985,.9645;-5.6097,-.0349,.0937;-10.7024,1.0349,.0916;-11.2031,1.3967,.9653;-11.2031,1.397,-.782;-10.7136,-.035,.0914;-8.5802,-.7829,.0698;-8.1982,-1.6309,1.1098;-9.3411,-1.2774,-.9895;-8.5764,-2.9732,1.09;-7.5976,-1.241,1.9443;-9.7204,-2.6199,-1.0089;-9.6425,-.6091,-1.8091;-9.3381,-3.4678,.0305;-8.2748,-3.6418,1.9093;-10.3207,-3.0093,-1.844;-9.6363,-4.5262,.0152; g16 /home/programes/qq/gaussian/g16.A03/g16/l1.exe "/home/qq/sole/POM/photo-CO2-Rebpy_boost/Gau-12602.inp" -scrdir="/home/qq/sole/POM/photo-CO2-Rebpy_boost/" mem=20GB chk=bi_rad.chk #p opt freq b3lyp/gen EmpiricalDispersion=GD3BJ pseudo=read scrf=(solv 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=2201,71=1,72=148,74=-5,124=41/1,2,3 4//1 5/5=2,38=5,53=148/2 6/7=2,8=2,9=2,10=2,28=1,96=20/1 7/30=1/1,2,3,16 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=2205,71=1,72=148,74=-5,82=7,124=41/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=148/2 7/30=1/1,2,3,16 1/18=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=1,96=20/1 99/9=1/99 Title Card Required 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 12 12 12 12 12 12 12 1 1 1 1 14 14 12 1 1 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 1 1 1 1 2 2 0 1 1 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /home/programes/qq/gaussian/g16.A03/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 1 1 1 2 2 3 3 4 4 5 5 6 7 7 7 12 13 14 14 14 18 18 18 22 22 23 23 24 24 25 25 27 27 29 2 6 13 3 12 4 8 5 9 6 10 11 12 13 22 14 18 15 16 17 19 20 21 23 24 25 26 27 28 29 30 29 31 32 1.4458 1.3803 1.4577 1.3803 1.4575 1.4049 1.0989 1.39 1.1003 1.4049 1.1002 1.0989 1.4077 1.4072 1.54 1.47 1.47 1.07 1.07 1.07 1.07 1.07 1.07 1.3952 1.3948 1.3947 1.0997 1.3951 1.0996 1.3954 1.0997 1.3948 1.0998 1.0997 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 12 12 13 2 2 7 1 1 7 12 12 12 15 15 16 13 13 13 19 19 20 7 7 23 22 22 25 22 22 27 23 23 29 24 24 29 25 25 27 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 12 12 12 13 13 13 14 14 14 14 14 14 18 18 18 18 18 18 22 22 22 23 23 23 24 24 24 25 25 25 27 27 27 29 29 29 6 13 13 3 12 12 4 8 8 5 9 9 6 10 10 5 11 11 13 22 22 7 14 14 7 18 18 15 16 17 16 17 17 19 20 21 20 21 21 23 24 24 25 26 26 27 28 28 29 30 30 29 31 31 27 32 32 120.4036 107.0339 132.5625 120.4093 107.0347 132.5559 118.452 121.2714 120.2766 121.1386 119.1113 119.7501 121.1411 119.7526 119.1063 118.4553 121.2745 120.2702 109.5728 140.9674 109.4509 108.1756 125.9122 125.9122 108.183 125.9085 125.9085 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 119.9972 120.0043 119.9985 120.0086 119.9808 120.0105 120.0 120.008 119.992 119.9942 120.0128 119.993 120.0047 119.984 120.0113 119.994 119.9811 120.0249 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 6 6 13 13 2 2 13 13 2 2 6 6 1 1 12 12 1 1 3 3 2 2 8 8 3 3 9 9 4 4 10 10 13 13 22 22 12 12 22 22 12 12 13 13 2 2 2 7 7 7 1 1 1 7 7 7 7 7 24 24 7 7 23 23 22 22 26 26 22 22 28 28 23 23 30 30 24 24 31 31 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 13 13 13 13 13 13 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 27 27 27 27 2 2 2 2 6 6 6 6 13 13 13 13 3 3 3 3 12 12 12 12 4 4 4 4 5 5 5 5 6 6 6 6 12 12 12 12 13 13 13 13 22 22 22 22 14 14 14 14 14 14 18 18 18 18 18 18 23 23 23 23 24 24 24 24 25 25 25 25 27 27 27 27 29 29 29 29 29 29 29 29 3 12 3 12 5 11 5 11 7 18 7 18 4 8 4 8 7 14 7 14 5 9 5 9 6 10 6 10 1 11 1 11 2 14 2 14 1 18 1 18 23 24 23 24 15 16 17 15 16 17 19 20 21 19 20 21 25 26 25 26 27 28 27 28 29 30 29 30 29 31 29 31 27 32 27 32 25 32 25 32 -0.0121 179.9938 179.9905 -0.0036 0.012 -179.9879 -179.9914 0.0086 0.0018 -179.9982 -179.9951 0.0049 0.006 -179.991 179.9984 0.0013 0.0041 -179.9959 -179.989 0.011 -0.0004 179.9989 179.9967 -0.004 0.0006 179.9918 -179.9987 -0.0076 -0.0065 179.9934 -179.9977 0.0022 -0.003 179.997 178.7254 -1.2746 0.0008 -179.9992 -179.15 0.85 61.3214 -118.6839 -119.9492 60.0455 -60.1161 59.8839 179.8839 119.8839 -120.1161 -0.1161 -60.0025 59.9975 179.9975 119.9975 -120.0025 -0.0025 -179.9729 -0.052 0.0323 179.9532 -179.9798 -0.0055 0.0149 179.9892 -0.0568 179.9619 -179.9777 0.041 -0.0376 179.975 179.9881 0.0007 0.0341 -179.9964 -179.9846 -0.0151 0.0131 -179.9563 -179.9995 0.0311 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 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. Berny optimization. local minimum Step number 17 out of a maximum of 181 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00167 0.00389 0.00452 0.00796 0.01161 0.01475 0.01599 0.01633 0.01830 0.01978 0.02011 0.02088 0.02132 0.02135 0.02150 0.02154 0.02155 0.02156 0.02159 0.02182 0.02188 0.02238 0.02245 0.02459 0.02970 0.07208 0.07263 0.07562 0.07636 0.15470 0.15744 0.15887 0.15976 0.15987 0.15995 0.15998 0.16000 0.16001 0.16002 0.16009 0.16028 0.16127 0.16185 0.16444 0.19663 0.21712 0.21938 0.22040 0.22485 0.23375 0.23804 0.24321 0.24865 0.25077 0.26551 0.31955 0.32409 0.33651 0.33655 0.33672 0.33706 0.33714 0.33779 0.33804 0.33866 0.33995 0.35124 0.35402 0.35847 0.36633 0.36876 0.37191 0.37230 0.37301 0.37552 0.38260 0.39275 0.41468 0.42047 0.42178 0.43495 0.44697 0.46147 0.46214 0.46453 0.46660 0.47607 0.48379 0.49740 0.51071 -1.95763114e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 2.67021 2.63411 2.62427 2.63401 2.62424 2.66287 2.06018 2.64125 2.06289 2.66286 2.06289 2.06017 2.64932 2.64927 2.68029 2.74608 2.74600 2.07763 2.08160 2.07219 2.07748 2.08156 2.07232 2.71302 2.71305 2.62165 2.05940 2.62162 2.05938 2.65888 2.06595 2.65882 2.06595 2.06188 2.11703 1.87407 2.29206 2.11717 1.87425 2.29173 2.04918 2.11933 2.11458 2.11684 2.07804 2.08829 2.11692 2.08827 2.07798 2.04918 2.11940 2.11452 1.85414 2.21462 2.21443 1.91109 2.13739 2.19118 1.91121 2.13822 2.19086 1.90073 1.95465 1.91269 1.89651 1.89751 1.90091 1.90064 1.95479 1.91268 1.89662 1.89746 1.90079 2.12479 2.12468 2.03371 2.11580 2.08859 2.07777 2.11578 2.08859 2.07778 2.11724 2.07519 2.09058 2.11728 2.07519 2.09055 2.06653 2.10833 2.10832 -0.00794 3.14139 3.14091 0.00706 0.00352 3.13080 3.13589 -0.02001 -0.00590 2.84056 -3.13924 -0.29278 0.00354 3.13096 3.13531 -0.02046 -0.00566 2.83881 -3.13846 -0.29398 0.00497 3.14149 -3.12249 0.01404 -0.00944 3.13728 3.13725 0.00078 0.00499 -3.12233 3.14149 0.01417 0.00206 -2.83108 -3.13886 0.31119 0.00244 -2.83300 -3.13982 0.30792 0.51096 -2.63061 -2.62983 0.51179 -0.41573 1.68223 -2.48939 2.37982 -1.80541 0.30616 -0.40922 1.68891 -2.48277 2.38876 -1.79629 0.31522 -3.13871 0.05219 0.00285 -3.08943 -3.13866 0.05199 0.00296 -3.08958 -0.00585 -3.12783 3.08673 -0.03526 -0.00593 -3.12799 3.08691 -0.03515 0.00292 -3.13867 3.12473 -0.01686 0.00296 -3.13863 3.12485 -0.01675 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00003 -0.00001 -0.00002 0.00003 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00004 -0.00004 0.00000 -0.00001 0.00006 -0.00002 -0.00003 -0.00007 -0.00000 -0.00002 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00003 -0.00003 0.00001 0.00003 0.00004 0.00006 0.00007 -0.00034 0.00005 -0.00037 0.00000 -0.00002 0.00000 -0.00001 -0.00002 0.00017 -0.00002 0.00017 0.00000 0.00000 0.00002 0.00002 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00002 0.00000 -0.00002 0.00007 -0.00012 -0.00010 -0.00029 -0.00008 0.00034 0.00008 0.00050 0.00008 0.00007 -0.00012 -0.00013 -0.00024 -0.00027 -0.00025 -0.00003 -0.00005 -0.00003 0.00028 0.00027 0.00027 -0.00019 -0.00021 -0.00020 0.00003 0.00004 0.00004 0.00005 -0.00004 -0.00006 -0.00005 -0.00007 -0.00000 -0.00000 -0.00002 -0.00002 0.00002 0.00001 0.00004 0.00003 -0.00003 -0.00003 -0.00003 -0.00002 0.00002 0.00002 0.00003 0.00003 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00003 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00002 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00002 0.00000 0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00000 -0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00002 0.00000 0.00001 -0.00001 -0.00001 -0.00002 0.00002 -0.00002 0.00000 -0.00000 0.00002 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00002 0.00004 0.00002 0.00001 0.00001 -0.00004 -0.00004 -0.00003 -0.00005 0.00001 -0.00000 -0.00000 0.00002 0.00002 0.00004 -0.00000 0.00003 -0.00002 0.00002 0.00000 0.00001 -0.00002 -0.00002 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00006 0.00002 -0.00003 0.00003 0.00005 -0.00001 0.00001 0.00001 -0.00005 0.00005 -0.00001 0.00000 0.00001 0.00001 0.00005 0.00006 0.00006 -0.00002 -0.00001 -0.00002 -0.00004 -0.00004 -0.00005 -0.00006 -0.00006 -0.00001 -0.00000 0.00007 0.00011 0.00002 0.00005 -0.00001 -0.00001 -0.00002 -0.00002 -0.00000 -0.00001 -0.00004 -0.00004 0.00002 0.00002 0.00002 0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00003 -0.00004 -0.00001 0.00002 0.00000 0.00000 -0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00003 -0.00004 0.00001 0.00001 0.00005 -0.00002 -0.00004 -0.00006 0.00001 -0.00002 0.00002 -0.00001 -0.00001 0.00002 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00004 -0.00004 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00002 0.00001 -0.00001 0.00001 0.00003 -0.00001 0.00001 0.00004 -0.00039 0.00006 -0.00037 -0.00000 0.00000 0.00002 0.00002 -0.00003 0.00021 -0.00004 0.00019 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00003 -0.00001 -0.00003 0.00005 -0.00018 -0.00008 -0.00031 -0.00006 0.00038 0.00007 0.00051 0.00009 0.00002 -0.00007 -0.00014 -0.00024 -0.00026 -0.00024 0.00003 0.00001 0.00002 0.00026 0.00025 0.00024 -0.00024 -0.00024 -0.00025 -0.00003 -0.00001 0.00003 0.00005 0.00003 0.00005 -0.00003 -0.00001 -0.00002 -0.00001 -0.00003 -0.00003 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00002 0.00001 2.67020 2.63411 2.62428 2.63402 2.62423 2.66287 2.06018 2.64125 2.06289 2.66286 2.06289 2.06017 2.64930 2.64930 2.68025 2.74607 2.74602 2.07764 2.08160 2.07219 2.07748 2.08155 2.07233 2.71302 2.71304 2.62165 2.05940 2.62162 2.05938 2.65888 2.06595 2.65882 2.06595 2.06188 2.11702 1.87408 2.29206 2.11718 1.87425 2.29173 2.04918 2.11934 2.11458 2.11684 2.07804 2.08829 2.11692 2.08828 2.07797 2.04919 2.11940 2.11450 1.85414 2.21465 2.21439 1.91110 2.13740 2.19123 1.91118 2.13818 2.19080 1.90074 1.95463 1.91270 1.89650 1.89750 1.90093 1.90065 1.95478 1.91269 1.89662 1.89746 1.90078 2.12483 2.12463 2.03372 2.11579 2.08860 2.07776 2.11578 2.08860 2.07778 2.11725 2.07520 2.09058 2.11727 2.07519 2.09055 2.06654 2.10832 2.10833 -0.00794 3.14137 3.14092 0.00705 0.00354 3.13083 3.13589 -0.02000 -0.00586 2.84017 -3.13918 -0.29315 0.00354 3.13096 3.13533 -0.02044 -0.00569 2.83902 -3.13850 -0.29379 0.00498 3.14150 -3.12248 0.01404 -0.00944 3.13727 3.13725 0.00078 0.00498 -3.12236 3.14149 0.01414 0.00211 -2.83126 -3.13894 0.31087 0.00238 -2.83262 -3.13975 0.30843 0.51105 -2.63059 -2.62989 0.51166 -0.41596 1.68197 -2.48963 2.37985 -1.80540 0.30618 -0.40896 1.68916 -2.48252 2.38853 -1.79653 0.31497 -3.13874 0.05218 0.00289 -3.08937 -3.13862 0.05204 0.00293 -3.08959 -0.00587 -3.12785 3.08669 -0.03529 -0.00592 -3.12798 3.08690 -0.03516 0.00291 -3.13867 3.12473 -0.01686 0.00297 -3.13863 3.12487 -0.01673 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000002 0.000875 0.000201 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.071014e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 1 1 1 2 2 3 3 4 4 5 5 6 7 7 7 12 13 14 14 14 18 18 18 22 22 23 23 24 24 25 25 27 27 29 2 6 13 3 12 4 8 5 9 6 10 11 12 13 22 14 18 15 16 17 19 20 21 23 24 25 26 27 28 29 30 29 31 32 1.413 1.3939 1.3887 1.3939 1.3887 1.4091 1.0902 1.3977 1.0916 1.4091 1.0916 1.0902 1.402 1.4019 1.4183 1.4532 1.4531 1.0994 1.1015 1.0966 1.0994 1.1015 1.0966 1.4357 1.4357 1.3873 1.0898 1.3873 1.0898 1.407 1.0933 1.407 1.0933 1.0911 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 12 12 13 2 2 7 1 1 7 12 12 12 15 15 16 13 13 13 19 19 20 7 7 23 22 22 25 22 22 27 23 23 29 24 24 29 25 25 27 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 12 12 12 13 13 13 14 14 14 14 14 14 18 18 18 18 18 18 22 22 22 23 23 23 24 24 24 25 25 25 27 27 27 29 29 29 6 13 13 3 12 12 4 8 8 5 9 9 6 10 10 5 11 11 13 22 22 7 14 14 7 18 18 15 16 17 16 17 17 19 20 21 20 21 21 23 24 24 25 26 26 27 28 28 29 30 30 29 31 31 27 32 32 121.2968 107.3761 131.3255 121.3048 107.3868 131.3066 117.4094 121.4288 121.1567 121.2861 119.0632 119.6501 121.2907 119.6492 119.0595 117.4095 121.4325 121.1528 106.2342 126.8884 126.8774 109.4973 122.4636 125.5456 109.5041 122.5108 125.5272 108.9036 111.9932 109.5889 108.6619 108.7195 108.9142 108.8988 112.0011 109.5887 108.6685 108.7167 108.9073 121.7418 121.7351 116.5232 121.2262 119.6672 119.0473 121.2255 119.6677 119.0482 121.3092 118.8997 119.7817 121.3111 118.8996 119.7799 118.4036 120.7984 120.798 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 6 6 13 13 2 2 13 13 2 2 6 6 1 1 12 12 1 1 3 3 2 2 8 8 3 3 9 9 4 4 10 10 13 13 22 22 12 12 22 22 12 12 13 13 2 2 2 7 7 7 1 1 1 7 7 7 7 7 24 24 7 7 23 23 22 22 26 26 22 22 28 28 23 23 30 30 24 24 31 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 13 13 13 13 13 13 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 27 27 27 2 2 2 2 6 6 6 6 13 13 13 13 3 3 3 3 12 12 12 12 4 4 4 4 5 5 5 5 6 6 6 6 12 12 12 12 13 13 13 13 22 22 22 22 14 14 14 14 14 14 18 18 18 18 18 18 23 23 23 23 24 24 24 24 25 25 25 25 27 27 27 27 29 29 29 29 29 29 29 3 12 3 12 5 11 5 11 7 18 7 18 4 8 4 8 7 14 7 14 5 9 5 9 6 10 6 10 1 11 1 11 2 14 2 14 1 18 1 18 23 24 23 24 15 16 17 15 16 17 19 20 21 19 20 21 25 26 25 26 27 28 27 28 29 30 29 30 29 31 29 31 27 32 27 32 25 32 25 -0.4547 179.9885 179.9611 0.4042 0.2018 179.3817 179.6735 -1.1466 -0.3383 162.752 -179.8652 -16.775 0.2031 179.3906 179.6401 -1.1724 -0.3245 162.652 -179.8204 -16.8439 0.2847 179.9943 -178.9052 0.8044 -0.5407 179.7526 179.7514 0.0447 0.2859 -178.8964 179.9943 0.812 0.1179 -162.2089 -179.8435 17.8296 0.1399 -162.319 -179.8986 17.6425 29.2757 -150.7227 -150.678 29.3236 -23.8193 96.3847 -142.6313 136.3537 -103.4423 17.5417 -23.4464 96.7676 -142.252 136.8661 -102.9199 18.0605 -179.835 2.9905 0.1635 -177.011 -179.8318 2.9788 0.1697 -177.0196 -0.3352 -179.2117 176.8565 -2.02 -0.3398 -179.2204 176.8666 -2.014 0.1672 -179.8326 179.034 -0.9658 0.1698 -179.8304 179.0407 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 (5D, 7F) 1 2 3 4 5 6 7 14 18 22 23 24 25 27 29 12 13 8 9 10 11 15 16 17 19 20 21 26 28 30 31 32 cc-pVDZ 1 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 6 No pseudopotential on this center. 5 6 No pseudopotential on this center. 6 6 No pseudopotential on this center. 7 6 No pseudopotential on this center. 8 1 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 7 No pseudopotential on this center. 13 7 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 1 No pseudopotential on this center. 16 1 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 6 No pseudopotential on this center. 24 6 No pseudopotential on this center. 25 6 No pseudopotential on this center. 26 1 No pseudopotential on this center. 27 6 No pseudopotential on this center. 28 1 No pseudopotential on this center. 29 6 No pseudopotential on this center. 30 1 No pseudopotential on this center. 31 1 No pseudopotential on this center. 32 1 No pseudopotential on this center. 0.10000e-02 0.10000e-05 F 34 449 IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=141 32 32 32 1.00e+00 60 F Grimme-D3(BJ) -0.0688377241 PCM UFF Total charges None On-the-fly selection n,n-DiMethylFormamide 37.219000 2.046330 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 208.1738999999999 AuxInfo=1/0/N:14,18,29,25,27,4,5,23,24,3,6,22,2,1,7,12,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3/rA:32nC3C3C3C3C3C3C3HHHHNNCHHHCHHHC3C3C3C3HC3HC3HHH/rB:s1;s2;s3;s4;s1s5;;s3;s4;s5;s6;s2s7;s1s7;s12;s14;s14;s14;s13;s18;s18;s18;s7;s22;s22;s23;s23;s24;s24;s25s27;s25;s27;s29;/rC:-8.8845,2.9042,.0919;-7.4387,2.9042,.0919;-6.74,4.0946,.0919;-7.4665,5.2971,.0921;-8.8565,5.2971,.0922;-9.583,4.0947,.0922;-8.1619,.699,.0916;-5.6412,4.1112,.0918;-6.9205,6.2524,.0921;-9.4025,6.2523,.0924;-10.6818,4.1114,.0924;-7.0117,1.5106,.0918;-9.3115,1.5105,.0917;-5.6208,1.035,.0918;-5.1206,1.3953,-.7828;-5.1196,1.3985,.9645;-5.6097,-.0349,.0937;-10.7024,1.0349,.0916;-11.2031,1.3967,.9653;-11.2031,1.397,-.782;-10.7136,-.035,.0914;-8.5802,-.7829,.0698;-8.1982,-1.6309,1.1097;-9.3411,-1.2774,-.9895;-8.5764,-2.9732,1.09;-7.5976,-1.241,1.9443;-9.7204,-2.6199,-1.0089;-9.6425,-.6092,-1.8091;-9.3381,-3.4678,.0305;-8.2748,-3.6418,1.9093;-10.3207,-3.0093,-1.844;-9.6363,-4.5262,.0152; 0.000000 1.445779 0.000000 2.452730 1.380331 0.000000 2.781501 2.393090 1.404910 0.000000 2.393091 2.781397 2.434208 1.389963 0.000000 1.380275 2.452613 2.843008 2.434246 1.404919 0.000000 2.320578 2.320746 3.681306 4.650407 4.650296 3.681062 0.000000 3.460561 2.165110 1.098911 2.176728 3.426994 3.941830 4.242229 0.000000 3.881662 3.388028 2.165269 1.100258 2.158776 3.427025 5.690411 2.494268 0.000000 3.387969 3.881550 3.427005 2.158795 1.100248 2.165214 5.690225 4.328000 2.481935 0.000000 2.165073 3.460466 3.941806 3.426956 2.176648 1.098889 4.241962 5.040557 4.327915 2.494070 0.000000 2.334357 1.457503 2.598245 3.813701 4.211955 3.645371 1.407683 2.939563 4.742606 5.310308 4.498121 0.000000 1.457664 2.334474 3.645592 4.212200 3.813886 2.598408 1.407174 4.498266 5.310567 4.742728 2.939781 2.299760 0.000000 3.761046 2.607412 3.257895 4.644584 5.351178 5.006058 2.563189 3.076212 5.376802 6.443713 5.922624 1.470000 3.721191 0.000000 4.148298 2.900905 3.267073 4.635999 5.472299 5.288184 3.240142 2.900284 5.253176 6.533809 6.250535 2.086720 4.282669 1.070000 0.000000 4.147648 2.899463 3.264431 4.633435 5.470351 5.287020 3.241388 2.896989 5.250230 6.531741 6.249666 2.086720 4.283255 1.070000 1.747303 0.000000 4.400289 3.461736 4.281449 5.646094 6.242767 5.730675 2.655585 4.146206 6.422478 7.342657 6.551153 2.086720 4.011412 1.070000 1.747303 1.747303 0.000000 2.607512 3.761134 5.006256 5.351403 4.644766 3.258068 2.562696 5.922762 6.443939 5.376908 3.076494 3.721247 1.470000 5.081649 5.661364 5.662359 5.203898 0.000000 2.900259 4.148042 5.287828 5.471598 4.634941 3.265918 3.240264 6.250295 6.533056 5.251834 2.898854 4.282963 2.086720 5.661809 6.328699 6.083517 5.839118 1.070000 0.000000 2.900228 4.148010 5.287721 5.471465 4.634836 3.265905 3.240292 6.250159 6.532897 5.251760 2.898969 4.282984 2.086720 5.661858 6.082463 6.329235 5.839801 1.070000 1.747303 0.000000 3.461868 4.400428 5.730899 6.243005 5.646280 4.281624 2.655194 6.551303 7.342903 6.422588 4.146489 4.011580 2.086720 5.203987 5.838763 5.840368 5.103879 1.070000 1.747303 1.747303 0.000000 3.699729 3.859848 5.213200 6.181254 6.086371 4.979663 1.540000 5.708790 7.228443 7.083192 5.326469 2.778680 2.407278 3.473262 4.176170 4.187452 3.063323 2.794463 3.525933 3.515294 2.260792 0.000000 4.698326 4.709566 5.995344 7.040512 7.033250 5.977919 2.542919 6.367556 8.050725 8.039341 6.338547 3.509026 3.484864 3.845292 4.712859 4.321554 3.206185 3.796689 4.268122 4.666544 3.148231 1.395160 0.000000 4.343228 4.719564 6.065793 6.921571 6.680503 5.485202 2.542728 6.625321 7.982870 7.607301 5.657427 3.790549 2.990320 4.511899 4.999869 5.366513 4.079272 2.892878 3.799831 3.265339 2.143688 1.394829 2.416183 0.000000 5.969500 6.069139 7.370414 8.403941 8.335015 7.208580 3.828019 7.733062 9.425978 9.316016 7.457807 4.852791 4.651917 5.079178 5.876555 5.574672 4.292729 4.645640 5.100083 5.431618 3.767983 2.416205 1.394712 2.790080 0.000000 4.719083 4.543017 5.712751 6.796669 6.910989 5.986746 2.741238 5.992059 7.748502 7.926953 6.448963 3.368458 3.733629 3.538329 4.530193 3.750628 2.971712 4.272267 4.573307 5.233656 3.820599 2.165414 1.099655 3.412938 2.165330 0.000000 5.694349 6.077254 7.428244 8.304851 8.039722 6.805571 3.828169 7.947185 9.368432 8.945920 6.888119 5.060567 4.293958 5.601472 6.109890 6.419395 4.979510 3.941174 4.714677 4.287766 2.979659 2.416183 2.789946 1.395138 2.416356 3.889601 0.000000 4.065944 4.562225 5.844958 6.575186 6.254322 5.073862 2.741526 6.473364 7.622568 7.124124 5.194124 3.876528 2.866229 4.742409 5.051548 5.672702 4.495939 2.727464 3.762453 2.741369 2.255798 2.165365 3.413128 1.099604 3.889684 4.320704 2.165471 0.000000 6.388417 6.649346 7.996514 8.962729 8.778362 7.566674 4.330065 8.432756 10.016486 9.720542 7.697596 5.495507 4.978724 5.839310 6.488337 6.507584 5.068491 4.705293 5.292930 5.273018 3.698612 2.790065 2.416260 2.416236 1.395427 3.413316 1.394825 3.412999 0.000000 6.820906 6.844862 8.093891 9.157527 9.140286 8.053963 4.707376 8.387362 10.150423 10.122589 8.319038 5.607715 5.560976 5.676251 6.524486 6.020991 4.838259 5.573999 5.903588 6.419319 4.718213 3.413229 2.165375 3.889760 1.099680 2.494768 3.413209 4.989364 2.165806 0.000000 6.385955 6.857376 8.187525 8.993999 8.653901 7.399980 4.707326 8.737638 10.054283 9.506383 7.388117 5.926783 5.019379 6.495645 6.896960 7.373467 5.898770 4.499816 5.299401 4.617608 3.570248 3.413055 3.889707 2.165516 3.413506 4.989362 1.099761 2.494420 2.165528 4.321228 0.000000 7.468698 7.748908 9.094644 10.060364 9.854498 8.621338 5.429745 9.516824 11.115664 10.781315 8.700919 6.583099 6.045864 6.859802 7.489458 7.510191 6.032481 5.662901 6.199814 6.178546 4.619194 3.889745 3.413024 3.413344 2.165678 4.320917 2.165606 4.320988 1.099680 2.494678 2.495147 0.000000 1.1869745 0.2820914 0.2421750 -10.22267 -10.21338 -10.20502 -10.19024 -10.18945 -10.18891 -10.18740 -10.18563 -10.18440 -10.18393 -10.18333 -10.18284 -0.99951 -0.91178 -0.86059 -0.84552 -0.76651 -0.75803 -0.74958 -0.74528 -0.72095 -0.68751 -0.63647 -0.60845 -0.59822 -0.58866 -0.57035 -0.52149 -0.51371 -0.50553 -0.47669 -0.46786 -0.45446 -0.45013 -0.44528 -0.44486 -0.43704 -0.43422 -0.42106 -0.41744 -0.40219 -0.39693 -0.39261 -0.36517 -0.36152 -0.34724 -0.34516 -0.34108 -0.33587 -0.29823 -0.26339 -0.25622 -0.23704 -0.23495 -0.08913 -0.01353 -0.00897 0.00621 0.01617 0.05424 0.06555 0.07613 0.08612 0.10156 0.11022 0.11475 0.12403 0.12607 0.13182 0.13964 0.14169 0.14376 0.14616 0.15311 0.15703 0.16268 0.16713 0.16939 0.18946 0.21838 0.22840 0.25297 0.27781 0.28627 0.28972 0.30072 0.30905 0.31932 0.32204 0.35349 0.35976 0.38197 0.38972 0.40051 0.42366 0.43553 0.43814 0.45772 0.46017 0.46702 0.47249 0.47787 0.48317 0.49625 0.49808 0.50274 0.50769 0.51059 0.51574 0.51796 0.52155 0.52702 0.53204 0.53336 0.53668 0.55219 0.56778 0.58046 0.58554 0.59439 0.60030 0.60486 0.62548 0.62718 0.63479 0.63910 0.64058 0.64442 0.64915 0.64962 0.66253 0.67005 0.67460 0.69152 0.69390 0.69510 0.70568 0.71532 0.72382 0.72781 0.75119 0.76734 0.76933 0.79020 0.80660 0.82092 0.82549 0.85063 0.86154 0.87014 0.88254 0.88762 0.89846 0.91137 0.91378 0.92022 0.92959 0.93508 0.96665 0.97423 0.98154 0.99908 1.00009 1.00317 1.01650 1.02482 1.02637 1.03160 1.05069 1.05339 1.06305 1.07008 1.07115 1.07365 1.08940 1.10846 1.12641 1.14475 1.15783 1.20562 1.24583 1.25720 1.27777 1.29433 1.31396 1.33706 1.34326 1.35191 1.37168 1.38734 1.41407 1.41943 1.42971 1.44633 1.46494 1.47302 1.48800 1.49008 1.49294 1.50311 1.51603 1.52451 1.53148 1.53361 1.54582 1.56897 1.57847 1.59438 1.60555 1.61291 1.62342 1.62664 1.63155 1.63646 1.64156 1.65071 1.65469 1.66040 1.66345 1.66683 1.67896 1.69438 1.70061 1.70282 1.71161 1.72268 1.74528 1.75138 1.76160 1.76299 1.77350 1.78490 1.78695 1.79465 1.80464 1.81428 1.82168 1.83082 1.84567 1.85070 1.85562 1.86102 1.86312 1.86584 1.88193 1.89761 1.91289 1.92463 1.93139 1.94608 1.95730 1.97101 1.97240 1.98814 1.99150 1.99464 2.00392 2.01653 2.01825 2.03784 2.05041 2.08245 2.10604 2.12587 2.13457 2.17094 2.17707 2.19622 2.20542 2.22394 2.25025 2.26310 2.32428 2.32546 2.36427 2.37212 2.38203 2.38741 2.41085 2.42256 2.43430 2.46825 2.48045 2.48766 2.50926 2.52132 2.52381 2.53679 2.54976 2.58662 2.59873 2.61684 2.63623 2.66042 2.67544 2.71805 2.74203 2.75029 2.76671 2.78403 2.80522 2.87811 2.92922 2.94396 2.99142 2.99857 3.52655 3.56774 -14.38206 -14.37048 -10.23751 -10.23396 -10.23085 -10.22280 -10.21350 -10.20540 -10.19060 -10.18932 -10.18830 -10.18610 -10.18414 -10.18311 -10.18286 -10.18251 -10.18219 -0.99370 -0.90740 -0.85847 -0.84351 -0.76423 -0.75495 -0.74719 -0.74327 -0.71781 -0.68637 -0.62978 -0.60718 -0.59692 -0.58672 -0.56750 -0.51981 -0.51210 -0.50377 -0.46912 -0.46446 -0.45314 -0.44847 -0.44366 -0.44331 -0.43588 -0.43303 -0.41962 -0.41662 -0.40137 -0.39540 -0.38898 -0.36182 -0.36017 -0.34414 -0.34342 -0.33859 -0.32577 -0.28946 -0.25613 -0.25198 -0.22590 -0.22280 -0.02501 -0.00800 0.00110 0.00726 0.04194 0.05573 0.06634 0.07656 0.08637 0.10207 0.11224 0.11570 0.12475 0.12930 0.13357 0.14127 0.14307 0.14590 0.14732 0.15396 0.15873 0.16560 0.16967 0.17281 0.19245 0.22298 0.23348 0.25318 0.28140 0.28724 0.29270 0.30195 0.31108 0.32089 0.32290 0.35407 0.36175 0.38712 0.39337 0.40237 0.42679 0.43762 0.43919 0.46028 0.46248 0.46911 0.47507 0.47996 0.48491 0.49853 0.50220 0.50508 0.50997 0.51200 0.51821 0.52031 0.52324 0.52841 0.53321 0.53491 0.53833 0.55524 0.57071 0.58481 0.58838 0.59558 0.60393 0.60626 0.62660 0.62847 0.63604 0.63997 0.64129 0.64492 0.65033 0.65062 0.66373 0.67118 0.67621 0.69366 0.69660 0.69885 0.71145 0.71687 0.72475 0.72983 0.75199 0.76871 0.77154 0.79129 0.81073 0.82312 0.82840 0.85470 0.86317 0.87179 0.88472 0.88852 0.89972 0.91268 0.91605 0.92214 0.93266 0.93616 0.96975 0.97763 0.98621 1.00066 1.00303 1.00494 1.01773 1.02612 1.02803 1.03473 1.05200 1.05500 1.06554 1.07233 1.07331 1.07566 1.09170 1.11213 1.13024 1.14699 1.16030 1.20686 1.24898 1.25860 1.28013 1.29620 1.31693 1.34008 1.34738 1.35417 1.37447 1.39387 1.41534 1.42249 1.43174 1.44748 1.46681 1.47579 1.49067 1.49179 1.49486 1.50453 1.51888 1.52534 1.53331 1.53567 1.54772 1.56989 1.57990 1.59675 1.60722 1.61366 1.62528 1.62747 1.63402 1.63741 1.64266 1.65222 1.65547 1.66125 1.66452 1.66823 1.68085 1.69556 1.70141 1.70434 1.71251 1.72463 1.74730 1.75355 1.76365 1.76616 1.77620 1.78628 1.78861 1.79617 1.80656 1.81624 1.82438 1.83292 1.84633 1.85200 1.85701 1.86228 1.86493 1.86675 1.88363 1.89907 1.91618 1.92616 1.93329 1.94700 1.96028 1.97217 1.97434 1.98938 1.99289 1.99826 2.00671 2.01979 2.02148 2.04271 2.05480 2.08453 2.10746 2.12872 2.13708 2.17288 2.17995 2.19822 2.20787 2.22745 2.25208 2.26353 2.32633 2.32848 2.36821 2.37290 2.38274 2.38936 2.41114 2.42431 2.43473 2.47047 2.48137 2.49195 2.51006 2.52229 2.52719 2.53888 2.55138 2.58916 2.60140 2.62143 2.63935 2.66161 2.67820 2.71909 2.74316 2.75167 2.76847 2.78661 2.80677 2.87880 2.93071 2.94520 2.99373 3.00027 3.52741 3.56873 0.4531 -1.2804 0.0030 1.3582 -93.8649 -106.8610 -101.5303 11.6244 3.0675 -0.9319 6.8872 -6.1090 -0.7782 11.6244 3.0675 -0.9319 2299.0425 -340.0542 -23.9835 895.4613 -181.5794 -61.7095 855.9896 -121.5507 -5.0534 1.8252 -39689.2246 -5305.2567 -317.2717 2610.9443 854.1248 2606.1288 -40.3535 157.5272 -30.5470 -8539.1553 -7467.1822 -1019.5846 39.5822 40.2862 926.1476 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 208.1738999999999 AuxInfo=1/0/N:14,18,29,25,27,4,5,23,24,3,6,22,2,1,7,12,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3/rA:32nC3C3C3C3C3C3C3HHHHNNCHHHCHHHC3C3C3C3HC3HC3HHH/rB:s1;s2;s3;s4;s1s5;;s3;s4;s5;s6;s2s7;s1s7;s12;s14;s14;s14;s13;s18;s18;s18;s7;s22;s22;s23;s23;s24;s24;s25s27;s25;s27;s29;/rC:-8.952,2.9261,-.0373;-7.5756,2.7811,.2475;-6.748,3.8914,.4064;-7.3383,5.1643,.2763;-8.7018,5.3078,.0046;-9.5371,4.1851,-.1611;-8.4839,.6983,.0725;-5.6879,3.7821,.6358;-6.715,6.0526,.3956;-9.132,6.3069,-.0868;-10.5968,4.2995,-.3905;-7.3051,1.4203,.3067;-9.4916,1.6503,-.1362;-5.956,.8884,.2134;-5.322,1.6156,-.3138;-5.5195,.6946,1.206;-5.9684,-.0473,-.3583;-10.9206,1.3985,-.057;-11.3984,2.2261,.4864;-11.3814,1.3188,-1.0542;-11.0998,.4667,.4928;-8.6282,-.7125,.0517;-7.7853,-1.5696,.8365;-9.6249,-1.3578,-.7553;-7.9337,-2.9486,.8055;-7.044,-1.1321,1.5049;-9.7591,-2.7386,-.765;-10.2603,-.7599,-1.4083;-8.9197,-3.5602,.0097;-7.2796,-3.5646,1.4284;-10.5226,-3.1908,-1.4036;-9.0309,-4.6455,-.0064; 0.000000 1.413015 0.000000 2.446665 1.393859 0.000000 2.777083 2.395173 1.409132 0.000000 2.395215 2.776964 2.446384 1.397691 0.000000 1.393911 2.446614 2.861364 2.446435 1.409127 0.000000 2.279020 2.278934 3.649696 4.615075 4.615112 3.649886 0.000000 3.440965 2.171662 1.090199 2.182618 3.436578 3.951501 4.200497 0.000000 3.868649 3.385988 2.161437 1.091635 2.157501 3.429509 5.648092 2.503592 0.000000 3.386010 3.868532 3.429470 2.157492 1.091636 2.161394 5.648153 4.331188 2.477745 0.000000 2.171746 3.440960 3.951498 3.436586 2.182572 1.090197 4.200872 5.041659 4.331164 2.503465 0.000000 2.257827 1.388690 2.535091 3.744300 4.141815 3.583990 1.401958 2.881272 4.670551 5.231767 4.428424 0.000000 1.388706 2.257685 3.583879 4.141888 3.744441 2.535342 1.401931 4.428186 5.231835 4.670724 2.881724 2.242729 0.000000 3.631908 2.491289 3.111700 4.494258 5.207124 4.881927 2.538881 2.936605 5.222848 6.287892 5.791124 1.453165 3.633630 0.000000 3.869112 2.598401 2.780499 4.123917 5.015588 4.938891 3.314759 2.393511 4.704266 6.047771 5.918758 2.087021 4.173500 1.099435 0.000000 4.278714 3.082201 3.516900 4.914389 5.731705 5.494947 3.173694 3.144225 5.549258 6.798540 6.428325 2.126967 4.300323 1.101535 1.788066 0.000000 4.224360 3.309008 4.087251 5.425859 6.023262 5.539654 2.658724 3.966183 6.191433 7.103354 6.349570 2.093469 3.917142 1.096557 1.784665 1.788547 0.000000 2.491825 3.632262 4.882565 5.208196 4.495498 3.112889 2.538606 5.791586 6.289025 5.224221 2.938057 3.633753 1.453119 4.998000 5.608604 5.591260 5.167645 0.000000 2.597928 3.870302 4.940213 5.016150 4.123188 2.778712 3.316641 5.920609 6.048468 4.702974 2.389710 4.175731 2.086861 5.611033 6.159153 6.117611 5.946969 1.099357 0.000000 3.085395 4.279884 5.497285 5.736319 4.920736 3.523491 3.170257 6.429662 6.803377 5.556714 3.152920 4.298695 2.127007 5.588149 6.111672 6.313549 5.625935 1.101513 1.788058 0.000000 3.307943 4.223350 5.538398 6.021910 5.424488 4.086091 2.659557 6.348291 7.101931 6.190015 3.965351 3.917055 2.093478 5.168547 5.945796 5.630273 5.226744 1.096626 1.784626 1.788508 0.000000 3.654007 3.653987 4.985658 6.020907 6.020925 4.985788 1.418346 5.402568 7.038790 7.038824 5.402876 2.522771 2.522625 3.119223 4.060102 3.602272 2.772186 3.118155 4.061822 3.595774 2.773712 0.000000 4.726086 4.395434 5.575286 6.771980 6.987922 6.097648 2.493069 5.751514 7.709577 8.044003 6.622460 3.074237 3.771704 3.126698 4.187669 3.224413 2.654440 4.408850 5.252135 4.985022 3.905175 1.435671 0.000000 4.395434 4.726103 6.097565 6.987926 6.771992 5.575386 2.492999 6.622220 8.043991 7.709591 5.751772 3.771895 3.074069 4.409615 5.248904 4.991363 3.904495 3.124657 4.187083 3.215420 2.657362 1.435683 2.441968 0.000000 6.021564 5.767978 6.953504 8.151970 8.330675 7.375356 3.760369 7.097505 9.092559 9.375357 7.813985 4.442009 4.946139 4.357094 5.376408 4.388792 3.692471 5.344419 6.235732 5.792828 4.667574 2.459859 1.387319 2.797729 0.000000 4.742103 4.144528 5.150758 6.421941 6.817018 6.104439 2.734145 5.171433 7.277255 7.888750 6.761464 2.831757 4.052884 2.633286 3.717943 2.397982 2.409436 4.885792 5.592471 5.600856 4.475432 2.190341 1.089785 3.438140 2.140191 0.000000 5.767916 6.021596 7.375305 8.330680 8.151938 6.953524 3.760303 7.813803 9.375358 9.092518 7.097649 4.946367 4.441758 5.345593 6.232970 5.800466 4.666642 4.354934 5.376006 4.379268 3.694975 2.459847 2.797713 1.387301 2.417163 3.886485 0.000000 4.144558 4.742136 6.104378 6.817042 6.421975 5.150881 2.734025 6.761248 7.888749 7.277284 5.171706 4.053066 2.831642 4.886053 5.588128 5.605830 4.475534 2.630701 3.715031 2.388143 2.413141 2.190349 3.438134 1.089776 3.886498 4.355458 2.140177 0.000000 6.486488 6.486552 7.771742 8.870691 8.870662 7.771752 4.281231 8.046463 9.869889 9.869851 8.046585 5.244085 5.243815 5.349291 6.311662 5.576367 4.602844 5.347527 6.312871 5.567441 4.604495 2.862885 2.435790 2.435771 1.407018 3.413165 1.406988 3.413139 0.000000 6.861000 6.461408 7.544447 8.804789 9.097732 8.226821 4.632608 7.558749 9.688887 10.157425 8.726740 5.109579 5.876728 4.801744 5.805310 4.613844 4.157250 6.332044 7.168261 6.843686 5.632040 3.442147 2.141454 3.890901 1.093254 2.445026 3.411908 4.979752 2.168633 0.000000 6.461344 6.861055 8.226803 9.097758 8.804759 7.544452 4.632524 8.726605 10.157449 9.688837 7.558853 5.876977 5.109331 6.333050 7.164809 6.851029 5.631551 4.799268 5.803606 4.603909 4.160066 3.442139 3.890886 2.141437 3.411901 4.979739 1.093254 2.445015 2.168586 4.321666 0.000000 7.572020 7.572101 8.846490 9.958776 9.958735 8.846471 5.372330 9.089091 10.953225 10.953167 9.089165 6.314269 6.313979 6.334566 7.283642 6.505060 5.535878 6.332702 7.284718 6.495855 5.537476 3.953984 3.423879 3.423852 2.177682 4.309918 2.177650 4.309879 1.091100 2.508774 2.508707 0.000000 1.2131067 0.2921418 0.2419261 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 329 329 329 329 329 MxSgAt= 32 MxSgA2= 32. 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. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 329 329 329 329 329 MxSgAt= 32 MxSgA2= 32. 1 0.7593 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 C C C C C C C H H H H N N C H H H C H H H C C C C H C H C H H H 13 13 13 13 13 13 13 1 1 1 1 14 14 13 1 1 1 13 1 1 1 13 13 13 13 1 13 1 13 1 1 1 -0.00790 -0.00812 0.01239 0.00104 -0.00017 0.01322 0.06774 -0.00164 -0.00057 -0.00044 -0.00171 0.01568 0.01877 -0.00290 0.00089 0.00107 -0.00001 -0.00284 0.00102 0.00082 -0.00003 -0.01870 0.02761 0.02422 -0.00369 -0.00112 -0.00486 -0.00107 0.01371 0.00050 0.00043 -0.00167 -8.88240 -9.13303 13.92433 1.16457 -0.19408 14.85909 76.15693 -7.32230 -2.56073 -1.98675 -7.65825 5.06488 6.06339 -3.26189 3.97261 4.79062 -0.06198 -3.19045 4.57884 3.67524 -0.14627 -21.01909 31.03564 27.23012 -4.14773 -5.01388 -5.45985 -4.78173 15.41824 2.25402 1.93007 -7.44282 -3.16946 -3.25889 4.96855 0.41555 -0.06925 5.30209 27.17469 -2.61278 -0.91373 -0.70892 -2.73265 1.80727 2.16357 -1.16392 1.41753 1.70941 -0.02212 -1.13843 1.63384 1.31142 -0.05219 -7.50013 11.07429 9.71638 -1.48001 -1.78908 -1.94821 -1.70624 5.50161 0.80429 0.68870 -2.65578 -2.96285 -3.04645 4.64466 0.38846 -0.06474 4.95646 25.40322 -2.44246 -0.85417 -0.66271 -2.55452 1.68946 2.02253 -1.08805 1.32512 1.59798 -0.02068 -1.06422 1.52734 1.22593 -0.04879 -7.01121 10.35237 9.08299 -1.38353 -1.67245 -1.82121 -1.59501 5.14297 0.75186 0.64380 -2.48266 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 0.010355 0.010750 -0.058566 -0.018739 -0.014175 -0.061439 -0.329656 0.007727 -0.000798 -0.000504 0.007987 -0.132292 -0.137063 0.007499 0.005295 0.005132 0.006441 0.007205 0.005345 0.005051 0.005850 0.014804 0.037954 0.063499 -0.014301 0.000697 -0.020288 -0.000217 0.064316 -0.001551 -0.001432 -0.001286 0.030623 0.029598 -0.057449 -0.018093 -0.013768 -0.060186 -0.323227 -0.006544 0.002339 0.002152 -0.006799 -0.135500 -0.138778 -0.002589 -0.002214 -0.002067 -0.002196 -0.002052 -0.002092 -0.001797 -0.001558 -0.001491 -0.008854 -0.034897 0.014064 -0.001274 0.019037 -0.000679 -0.046007 0.002303 0.002172 0.008221 -0.040978 -0.040348 0.116015 0.036832 0.027943 0.121625 0.652883 -0.001184 -0.001542 -0.001648 -0.001188 0.267791 0.275841 -0.004911 -0.003080 -0.003065 -0.004245 -0.005152 -0.003253 -0.003254 -0.004292 -0.013313 -0.029100 -0.028601 0.000237 0.000577 0.001251 0.000896 -0.018309 -0.000752 -0.000740 -0.006934 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 -0.004332 0.005123 0.000103 -0.001104 0.001447 -0.000176 -0.001577 0.002068 0.003525 -0.003016 -0.002089 0.002943 -0.005571 -0.000264 0.000434 0.000333 -0.003491 0.000469 -0.000500 -0.000494 0.003026 -0.008799 -0.047585 -0.001140 0.017595 0.000098 0.003667 -0.000426 -0.031896 0.001151 0.001071 0.002905 0.000791 -0.000092 -0.001388 0.000843 0.001239 -0.002285 -0.026186 -0.000212 0.000079 0.000112 -0.000316 0.022843 0.018016 0.000366 -0.002388 0.002353 0.000197 0.000412 -0.002499 0.002487 -0.000061 -0.001112 -0.035552 -0.033371 0.018135 0.006096 0.017440 0.005792 -0.073869 0.000733 0.000882 -0.003206 0.002680 -0.000550 -0.004800 -0.001147 0.001943 0.006131 -0.009015 -0.000099 0.000027 0.000030 0.000112 0.028293 -0.031861 -0.000146 0.000332 -0.000198 -0.000087 0.000642 -0.000144 0.000264 0.001068 0.001585 0.015647 0.005843 -0.007839 -0.002544 -0.002046 -0.000741 0.020000 -0.000450 0.000167 0.001180 -0.0186 -0.0385 0.9991 0.9799 0.1977 0.0258 -0.1985 0.9795 0.034 -0.0411 0.0095 0.0316 -5.515 1.275 4.24 -1.968 0.455 1.513 -1.839 0.425 1.414 1 C 13 0.001 0.0078 1.0 0.9692 -0.2464 9.0E-4 0.2464 0.9691 -0.0078 -0.0404 0.0094 0.0309 -5.415 1.268 4.147 -1.932 0.452 1.48 -1.806 0.423 1.383 2 C 13 0.9979 -0.0645 0.0062 0.0643 0.9975 0.0281 -0.008 -0.0276 0.9996 -0.0586 -0.0576 0.1162 -7.861 -7.726 15.587 -2.805 -2.757 5.562 -2.622 -2.577 5.199 3 C 13 0.8001 0.5998 2.0E-4 -0.5996 0.7998 0.0263 0.0156 -0.0212 0.9997 -0.0196 -0.0173 0.0369 -2.626 -2.322 4.948 -0.937 -0.828 1.765 -0.876 -0.774 1.65 4 C 13 0.7506 -0.6607 0.0082 0.6601 0.7491 -0.056 0.0309 0.0474 0.9984 -0.0154 -0.0126 0.0281 -2.071 -1.696 3.767 -0.739 -0.605 1.344 -0.691 -0.566 1.257 5 C 13 0.9958 0.0909 0.0094 -0.0905 0.9953 -0.0347 -0.0125 0.0337 0.9994 -0.0615 -0.0604 0.1219 -8.25 -8.103 16.352 -2.944 -2.891 5.835 -2.752 -2.703 5.455 6 C 13 0.9714 0.2358 0.028 -0.2359 0.9718 0.0026 -0.0266 -0.0092 0.9996 -0.3308 -0.3229 0.6537 -44.389 -43.326 87.715 -15.839 -15.46 31.299 -14.807 -14.452 29.259 7 C 13 -0.1404 0.99 0.012 0.0257 -0.0085 0.9996 0.9898 0.1406 -0.0243 -0.0068 -0.0012 0.008 -3.648 -0.634 4.282 -1.302 -0.226 1.528 -1.217 -0.212 1.428 8 H 1 0.8383 -0.5442 -0.0336 0.0224 -0.0272 0.9994 0.5447 0.8385 0.0106 -0.0031 -0.0015 0.0046 -1.648 -0.822 2.47 -0.588 -0.293 0.881 -0.55 -0.274 0.824 9 H 1 0.8308 0.541 -0.1305 0.1059 0.0765 0.9914 -0.5464 0.8375 -0.0063 -0.0025 -0.0016 0.0041 -1.326 -0.872 2.198 -0.473 -0.311 0.784 -0.442 -0.291 0.733 10 H 1 0.137 0.9905 -0.0114 0.0359 0.0066 0.9993 0.9899 -0.1373 -0.0346 -0.0071 -0.0012 0.0083 -3.783 -0.64 4.422 -1.35 -0.228 1.578 -1.262 -0.213 1.475 11 H 1 -0.2981 0.9532 -0.0497 0.9528 0.2941 -0.075 0.0569 0.0697 0.9959 -0.1379 -0.1332 0.2711 -5.318 -5.137 10.455 -1.898 -1.833 3.731 -1.774 -1.713 3.487 12 N 14 0.5603 0.8274 0.0387 0.8271 -0.5564 -0.0794 0.0441 -0.0765 0.9961 -0.144 -0.135 0.2791 -5.555 -5.208 10.764 -1.982 -1.858 3.841 -1.853 -1.737 3.59 13 N 14 -0.0281 0.059 0.9979 0.0283 0.9979 -0.0582 0.9992 -0.0266 0.0297 -0.0049 -0.0026 0.0075 -0.661 -0.347 1.009 -0.236 -0.124 0.36 -0.221 -0.116 0.336 14 C 13 0.256 -0.2603 0.931 0.028 0.9647 0.262 0.9663 0.041 -0.2542 -0.0038 -0.0021 0.0059 -2.044 -1.127 3.17 -0.729 -0.402 1.131 -0.682 -0.376 1.057 15 H 1 -0.2586 0.1645 0.9519 0.0093 0.9858 -0.1678 0.9659 0.0346 0.2565 -0.0037 -0.002 0.0058 -1.995 -1.083 3.078 -0.712 -0.386 1.098 -0.665 -0.361 1.027 16 H 1 -0.0105 0.0243 0.9997 0.3337 0.9425 -0.0194 0.9426 -0.3334 0.018 -0.0042 -0.0034 0.0077 -2.267 -1.83 4.097 -0.809 -0.653 1.462 -0.756 -0.611 1.367 17 H 1 -0.0252 -0.1911 0.9813 -0.0587 0.9802 0.1894 0.998 0.0528 0.0359 -0.0053 -0.002 0.0072 -0.71 -0.263 0.972 -0.253 -0.094 0.347 -0.237 -0.088 0.324 18 C 13 0.2637 0.1437 0.9538 0.0151 0.9881 -0.1531 0.9645 -0.0548 -0.2584 -0.004 -0.0021 0.006 -2.116 -1.109 3.224 -0.755 -0.396 1.151 -0.706 -0.37 1.076 19 H 1 -0.2694 -0.1732 0.9473 0.0052 0.9834 0.1813 0.963 -0.0537 0.2641 -0.004 -0.0018 0.0058 -2.139 -0.934 3.074 -0.763 -0.333 1.097 -0.714 -0.312 1.025 20 H 1 0.1227 -0.4131 0.9024 -0.3166 0.8455 0.43 0.9406 0.3385 0.0271 -0.0048 -0.0021 0.0069 -2.555 -1.146 3.701 -0.912 -0.409 1.321 -0.852 -0.382 1.235 21 H 1 -0.0021 -0.1321 0.9912 0.4051 0.9061 0.1217 0.9143 -0.4018 -0.0516 -0.0135 -0.0052 0.0187 -1.815 -0.699 2.514 -0.647 -0.25 0.897 -0.605 -0.233 0.839 22 C 13 0.5232 0.3402 0.7814 0.2673 0.8051 -0.5295 0.8092 -0.4859 -0.3303 -0.0461 -0.0349 0.081 -6.185 -4.689 10.874 -2.207 -1.673 3.88 -2.063 -1.564 3.627 23 C 13 0.2445 -0.5508 0.7981 0.1916 0.8342 0.517 0.9505 -0.0265 -0.3095 -0.0429 -0.0315 0.0744 -5.751 -4.232 9.983 -2.052 -1.51 3.562 -1.918 -1.412 3.33 24 C 13 0.7847 -0.368 -0.4988 0.4237 -0.2689 0.865 0.4524 0.8901 0.0551 -0.0341 0.0116 0.0225 -4.573 1.551 3.022 -1.632 0.553 1.078 -1.525 0.517 1.008 25 C 13 -0.6178 0.3701 0.6938 0.407 0.9054 -0.1206 0.6729 -0.2079 0.71 -0.0062 -9.0E-4 0.0071 -3.312 -0.476 3.788 -1.182 -0.17 1.352 -1.105 -0.159 1.264 26 H 1 0.8702 -0.0847 -0.4854 0.4871 1.0E-4 0.8733 0.0739 0.9964 -0.0413 -0.0304 0.011 0.0194 -4.076 1.473 2.602 -1.454 0.526 0.929 -1.359 0.491 0.868 27 C 13 0.7377 -0.0386 -0.674 0.1089 0.9921 0.0625 0.6662 -0.1195 0.7361 -0.0055 -8.0E-4 0.0063 -2.927 -0.412 3.339 -1.045 -0.147 1.192 -0.976 -0.137 1.114 28 H 1 0.4717 -0.1482 0.8692 0.2695 0.9628 0.0179 0.8396 -0.2258 -0.4941 -0.0618 -0.0546 0.1164 -8.293 -7.322 15.615 -2.959 -2.613 5.572 -2.766 -2.442 5.208 29 C 13 0.8438 -0.2565 -0.4714 0.4737 -0.0568 0.8789 0.2522 0.9649 -0.0736 -0.0023 -3.0E-4 0.0026 -1.233 -0.175 1.408 -0.44 -0.062 0.502 -0.411 -0.058 0.47 30 H 1 0.8478 -0.1892 -0.4955 0.4468 -0.2486 0.8594 0.2858 0.9499 0.1262 -0.0022 -3.0E-4 0.0025 -1.167 -0.176 1.343 -0.416 -0.063 0.479 -0.389 -0.059 0.448 31 H 1 1.78244673e-01 -5.03748032e-01 1.18630270e-03 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 6 6 6 6 6 6 6 1 1 1 1 7 7 6 1 1 1 6 1 1 1 6 6 6 6 1 6 1 6 1 1 1 0.012915987 -0.051780735 -0.002604733 -0.018993672 -0.050303886 0.001419151 0.022127417 -0.002086037 0.000241495 -0.001743197 0.012311113 -0.000366625 0.001237715 0.011714917 0.000529424 -0.020750344 0.000507968 -0.000058185 -0.044345072 -0.038408410 -0.003771189 -0.004972353 -0.001057203 0.000078946 -0.002531228 -0.005052074 -0.000111245 0.002650404 -0.004858698 0.000156300 0.005028572 -0.001201225 -0.000292939 -0.017999655 0.021877407 0.004627859 0.021625548 0.056579105 -0.004532439 -0.032280917 0.012636343 0.000032055 0.011416502 0.006965760 -0.017810329 0.011643139 0.006654050 0.017767438 -0.001764076 -0.018989364 -0.000027665 0.027125447 0.018172900 0.004838123 -0.011348808 0.008572673 0.017792544 -0.011469677 0.006859890 -0.017927631 -0.003047216 -0.010942318 0.002199954 0.055233902 0.049091240 0.003923859 0.010042744 -0.011244078 0.011462062 -0.008522516 -0.008692184 -0.018447268 0.004749498 -0.002156124 0.006657768 -0.003474525 -0.001184803 -0.004112153 -0.005586831 0.005366463 -0.006886264 0.003549484 -0.004373326 0.003160373 -0.003208148 -0.015182087 0.001871271 -0.001543478 0.003146438 -0.003171567 0.002930479 0.002290161 0.003356278 0.001304876 0.004766123 0.000005330 0.056579105 0.016689904 (Enter /home/programes/qq/gaussian/g16.A03/g16/l716.exe) 0.7598 0.7633 0.7638 0.7628 0.7644 0.7649 0.7652 0.7654 0.7655 0.7656 0.7656 0.7655 0.7655 0.7655 0.7655 open 1 1 1 -690.211677010529 -690.211678483345 -0.000001472815 -690.211678499063 -0.000000015719 -690.211678500026 -0.000000000963 -690.211678500432 -0.000000000406 -690.211678500475 -0.000000000043 -690.211678500481 -0.000000000007 -690.211678500 7 0.7655 6.852169673250e+02 -3.867168673554e+03 1.358333412550e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2684354560 LenX= 2684123386 LenY= 2684014045 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. 0.7655 (Enter /home/programes/qq/gaussian/g16.A03/g16/l716.exe) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 C C C C C C C H H H H N N C H H H C H H H C C C C H C H C H H H 13 13 13 13 13 13 13 1 1 1 1 14 14 13 1 1 1 13 1 1 1 13 13 13 13 1 13 1 13 1 1 1 -0.00622 -0.00621 0.00776 0.00100 0.00097 0.00779 0.03716 -0.00099 -0.00041 -0.00041 -0.00099 0.01539 0.01539 -0.00148 0.00049 0.00148 0.00079 -0.00152 0.00047 0.00148 0.00081 -0.01819 0.02558 0.02560 -0.01688 -0.00260 -0.01687 -0.00260 0.03194 0.00102 0.00101 -0.00372 -6.99303 -6.98133 8.72861 1.12263 1.09073 8.75331 41.77102 -4.43248 -1.83059 -1.81858 -4.44021 4.97140 4.97112 -1.66012 2.17286 6.59585 3.51128 -1.70394 2.10473 6.61661 3.61416 -20.45171 28.76201 28.77541 -18.97348 -11.63734 -18.96669 -11.63598 35.90759 4.53849 4.53262 -16.60680 -2.49529 -2.49111 3.11459 0.40058 0.38920 3.12340 14.90494 -1.58162 -0.65320 -0.64891 -1.58438 1.77392 1.77382 -0.59237 0.77533 2.35356 1.25291 -0.60801 0.75102 2.36097 1.28962 -7.29768 10.26300 10.26778 -6.77021 -4.15249 -6.76779 -4.15201 12.81272 1.61945 1.61735 -5.92572 -2.33262 -2.32872 2.91155 0.37447 0.36383 2.91979 13.93331 -1.47851 -0.61062 -0.60661 -1.48110 1.65828 1.65819 -0.55376 0.72479 2.20014 1.17124 -0.56837 0.70206 2.20706 1.20555 -6.82196 9.59397 9.59844 -6.32887 -3.88180 -6.32661 -3.88135 11.97748 1.51388 1.51192 -5.53943 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 0.006178 0.007074 -0.032463 -0.013065 -0.012877 -0.033068 -0.193315 0.005147 -0.000016 -0.001103 0.004441 -0.130823 -0.131985 0.007209 0.004392 0.003887 0.005315 0.007413 0.003683 0.003750 0.005618 0.004807 0.051519 0.056684 -0.011931 0.005905 -0.014481 0.003398 0.024936 -0.001407 -0.001912 -0.010741 0.024272 0.023243 -0.034915 -0.013257 -0.013399 -0.034756 -0.217206 -0.003852 0.001155 0.002273 -0.003122 -0.133389 -0.131314 -0.001728 -0.001475 -0.001210 -0.001172 -0.001963 -0.000766 -0.001063 -0.001506 0.006256 -0.090570 -0.095252 0.040035 -0.006557 0.042577 -0.003711 -0.127154 0.003813 0.004380 0.018718 -0.030450 -0.030317 0.067378 0.026322 0.026276 0.067824 0.410521 -0.001294 -0.001138 -0.001170 -0.001319 0.264212 0.263299 -0.005481 -0.002917 -0.002677 -0.004143 -0.005450 -0.002917 -0.002686 -0.004112 -0.011063 0.039051 0.038568 -0.028104 0.000651 -0.028096 0.000313 0.102219 -0.002406 -0.002469 -0.007977 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 -0.000571 0.003861 0.001406 -0.000165 0.000302 -0.001200 -0.000433 0.000868 0.002880 -0.002407 -0.002599 0.002655 -0.003056 -0.001535 0.001224 -0.000229 -0.001400 -0.000429 -0.002248 -0.000865 0.000044 0.000206 -0.025961 -0.000119 0.011022 0.004983 -0.001354 -0.007196 -0.012758 0.001789 -0.000644 0.003191 0.007932 0.008236 -0.021461 -0.007100 -0.006562 -0.020537 -0.136009 0.000669 0.000321 0.000139 0.000537 0.007989 0.004708 0.001742 -0.001349 0.002565 -0.001788 0.001833 -0.001365 0.002537 -0.001700 -0.008419 -0.142156 -0.143896 0.053581 0.006608 0.053375 0.005311 -0.198636 0.001745 0.001489 -0.009410 -0.001332 0.001305 -0.004275 -0.002206 0.002427 0.005517 0.004649 0.000300 0.000525 -0.000484 -0.000491 0.007158 -0.020565 -0.000427 0.000108 -0.000105 -0.000145 0.000187 0.000217 -0.000375 0.000579 0.001194 0.023172 0.002146 -0.004483 0.004739 -0.004402 -0.006119 0.016948 0.001003 -0.001138 0.001363 -0.2025 0.0211 0.9791 0.9783 0.0501 0.2012 -0.0448 0.9985 -0.0308 -0.0321 0.0078 0.0243 -4.31 1.044 3.266 -1.538 0.373 1.165 -1.438 0.348 1.089 1 C 13 -0.2051 -0.0088 0.9787 0.9474 -0.2527 0.1963 0.2456 0.9675 0.0601 -0.0321 0.0078 0.0243 -4.302 1.04 3.261 -1.535 0.371 1.164 -1.435 0.347 1.088 2 C 13 0.9482 -0.2589 0.1843 0.2456 0.965 0.0918 -0.2016 -0.0418 0.9786 -0.037 -0.035 0.072 -4.968 -4.692 9.659 -1.773 -1.674 3.447 -1.657 -1.565 3.222 3 C 13 0.8922 0.4154 0.1774 -0.4179 0.9081 -0.0244 -0.1713 -0.0523 0.9838 -0.0146 -0.0131 0.0277 -1.953 -1.761 3.714 -0.697 -0.628 1.325 -0.651 -0.587 1.239 4 C 13 0.7867 -0.5956 0.1622 0.5962 0.8012 0.0501 -0.1598 0.0573 0.9855 -0.0145 -0.013 0.0275 -1.94 -1.747 3.688 -0.692 -0.624 1.316 -0.647 -0.583 1.23 5 C 13 0.9803 0.0576 0.1889 -0.0465 0.9969 -0.0628 -0.1919 0.0527 0.98 -0.0371 -0.035 0.0721 -4.978 -4.703 9.681 -1.776 -1.678 3.454 -1.66 -1.569 3.229 6 C 13 0.9724 -0.1029 0.2096 0.102 0.9947 0.0147 -0.21 0.0071 0.9777 -0.2226 -0.2172 0.4398 -29.87 -29.144 59.014 -10.658 -10.399 21.058 -9.964 -9.721 19.685 7 C 13 -0.088 0.9921 -0.0896 -0.1127 0.0795 0.9904 0.9897 0.0972 0.1048 -0.004 -0.0013 0.0053 -2.111 -0.718 2.829 -0.753 -0.256 1.01 -0.704 -0.24 0.944 8 H 1 0.7677 -0.6368 0.0712 -0.1363 -0.0536 0.9892 0.6262 0.7691 0.1279 -0.0024 -0.0012 0.0036 -1.268 -0.646 1.914 -0.452 -0.231 0.683 -0.423 -0.216 0.638 9 H 1 0.8805 0.4661 0.0865 -0.1246 0.0515 0.9909 -0.4574 0.8832 -0.1034 -0.0024 -0.0012 0.0036 -1.261 -0.647 1.908 -0.45 -0.231 0.681 -0.421 -0.216 0.636 10 H 1 0.2864 0.9508 0.1181 -0.1293 -0.0838 0.9881 0.9494 -0.2982 0.099 -0.004 -0.0013 0.0053 -2.116 -0.719 2.835 -0.755 -0.257 1.012 -0.706 -0.24 0.946 11 H 1 -0.5242 0.8516 -0.0048 0.8514 0.5239 -0.0268 0.0203 0.0181 0.9996 -0.1351 -0.1294 0.2645 -5.209 -4.992 10.201 -1.859 -1.781 3.64 -1.738 -1.665 3.403 12 N 14 0.6854 0.7275 0.0295 0.728 -0.6841 -0.0446 0.0123 -0.052 0.9986 -0.135 -0.1294 0.2644 -5.208 -4.991 10.198 -1.858 -1.781 3.639 -1.737 -1.665 3.402 13 N 14 -0.1266 0.0571 0.9903 0.1711 0.9846 -0.0349 0.9771 -0.1651 0.1344 -0.0057 -0.002 0.0077 -0.769 -0.266 1.034 -0.274 -0.095 0.369 -0.256 -0.089 0.345 14 C 13 0.202 -0.2005 0.9586 -0.1436 0.9622 0.2315 0.9688 0.1844 -0.1656 -0.0032 -0.0016 0.0049 -1.72 -0.871 2.591 -0.614 -0.311 0.924 -0.574 -0.29 0.864 15 H 1 -0.3253 0.0107 0.9456 0.0431 0.9991 0.0035 0.9446 -0.0419 0.3254 -0.0036 -0.0012 0.0048 -1.9 -0.651 2.551 -0.678 -0.232 0.91 -0.634 -0.217 0.851 16 H 1 0.1945 0.1235 0.9731 0.162 0.9744 -0.1561 0.9674 -0.188 -0.1695 -0.0045 -0.0014 0.0059 -2.411 -0.737 3.148 -0.86 -0.263 1.123 -0.804 -0.246 1.05 17 H 1 -0.14 -0.065 0.988 0.0319 0.997 0.0701 0.9896 -0.0413 0.1375 -0.0057 -0.002 0.0077 -0.768 -0.263 1.031 -0.274 -0.094 0.368 -0.256 -0.088 0.344 18 C 13 0.2322 0.1275 0.9643 0.3366 0.9196 -0.2026 0.9126 -0.3716 -0.1706 -0.0032 -0.0016 0.0049 -1.717 -0.873 2.59 -0.613 -0.312 0.924 -0.573 -0.291 0.864 19 H 1 -0.3243 0.0296 0.9455 0.1598 0.9869 0.0239 0.9324 -0.1588 0.3248 -0.0036 -0.0012 0.0048 -1.904 -0.647 2.551 -0.679 -0.231 0.91 -0.635 -0.216 0.851 20 H 1 0.1634 -0.1888 0.9683 0.0387 0.982 0.1849 0.9858 -0.0073 -0.1677 -0.0045 -0.0014 0.0059 -2.407 -0.744 3.152 -0.859 -0.266 1.125 -0.803 -0.248 1.051 21 H 1 0.3951 -0.056 0.9169 0.1416 0.9899 -6.0E-4 0.9077 -0.1301 -0.399 -0.0148 0.0063 0.0085 -1.981 0.843 1.138 -0.707 0.301 0.406 -0.661 0.281 0.38 22 C 13 0.6671 0.4045 0.6256 -0.201 0.9064 -0.3717 0.7174 -0.1222 -0.6859 -0.0975 -0.0943 0.1919 -13.089 -12.656 25.746 -4.671 -4.516 9.187 -4.366 -4.222 8.588 23 C 13 0.5705 -0.5478 0.6119 0.3783 0.8366 0.3963 0.7289 -0.0054 -0.6845 -0.0975 -0.0943 0.1918 -13.087 -12.653 25.74 -4.67 -4.515 9.185 -4.365 -4.22 8.586 24 C 13 -0.6529 0.0917 0.7519 0.6324 -0.4802 0.6078 0.4168 0.8723 0.2555 -0.0752 0.0312 0.044 -10.089 4.186 5.903 -3.6 1.494 2.106 -3.365 1.396 1.969 25 C 13 -0.1562 0.9264 -0.3426 -0.6215 0.1774 0.763 0.7676 0.3322 0.5481 -0.0091 -0.0036 0.0128 -4.882 -1.937 6.819 -1.742 -0.691 2.433 -1.628 -0.646 2.274 26 H 1 -0.6602 0.0205 0.7508 0.7148 0.3241 0.6197 -0.2306 0.9458 -0.2286 -0.0751 0.0312 0.044 -10.084 4.183 5.901 -3.598 1.493 2.105 -3.364 1.395 1.968 27 C 13 0.3403 0.8651 0.3685 -0.6458 -0.0699 0.7603 0.6835 -0.4967 0.5349 -0.0091 -0.0036 0.0128 -4.881 -1.939 6.82 -1.742 -0.692 2.434 -1.628 -0.647 2.275 28 H 1 0.7658 -0.0878 0.6371 0.1019 0.9947 0.0146 -0.635 0.0537 0.7706 -0.1389 -0.1282 0.2671 -18.634 -17.205 35.839 -6.649 -6.139 12.788 -6.216 -5.739 11.955 29 C 13 -0.6205 0.043 0.783 0.7112 -0.39 0.585 0.3305 0.9198 0.2114 -0.0037 -0.001 0.0047 -1.992 -0.508 2.501 -0.711 -0.181 0.892 -0.664 -0.17 0.834 30 H 1 -0.6188 0.0607 0.7832 0.7736 0.2202 0.5941 -0.1364 0.9736 -0.1833 -0.0037 -0.001 0.0047 -1.992 -0.508 2.5 -0.711 -0.181 0.892 -0.664 -0.169 0.834 31 H 1 PT21832.300S 2025-11-17T11:18:35.000 -10.22778 -10.22777 -10.19755 -10.19164 -10.19162 -10.18803 -10.18756 -10.18346 -10.18345 -10.18295 -10.18293 -10.17570 -1.03167 -0.93361 -0.85844 -0.84199 -0.77548 -0.76530 -0.75172 -0.73999 -0.72106 -0.68972 -0.64896 -0.61662 -0.59486 -0.58939 -0.57828 -0.52691 -0.51873 -0.51220 -0.48921 -0.47857 -0.46059 -0.45033 -0.44635 -0.44382 -0.43975 -0.43429 -0.41608 -0.41452 -0.40030 -0.39799 -0.39435 -0.36835 -0.36578 -0.35299 -0.34899 -0.34308 -0.32907 -0.30760 -0.27492 -0.25517 -0.23959 -0.22695 -0.11032 -0.00845 -0.00306 0.00679 0.03208 0.05748 0.07110 0.07298 0.08967 0.10162 0.11246 0.11369 0.11767 0.12400 0.13094 0.13257 0.14288 0.14585 0.15187 0.15725 0.16321 0.17604 0.18185 0.19293 0.20743 0.21743 0.25076 0.25862 0.27379 0.28821 0.29146 0.30038 0.30670 0.32642 0.34603 0.34728 0.38450 0.39005 0.40081 0.40598 0.43089 0.43188 0.44712 0.46647 0.46705 0.46899 0.47087 0.48971 0.49342 0.49447 0.50055 0.50138 0.50626 0.51148 0.51520 0.52504 0.52534 0.53441 0.53474 0.53751 0.55080 0.55471 0.56413 0.57234 0.57902 0.58728 0.61151 0.61397 0.61812 0.61941 0.62910 0.63387 0.64785 0.64886 0.65536 0.66171 0.66425 0.66884 0.67597 0.67728 0.68766 0.70402 0.71303 0.71642 0.72189 0.73735 0.75766 0.76515 0.76944 0.77058 0.79987 0.81825 0.84341 0.86505 0.87059 0.88104 0.89072 0.90857 0.90972 0.91383 0.91848 0.93661 0.94429 0.94473 0.94905 0.97836 0.98654 0.99265 0.99633 1.01379 1.01396 1.01865 1.03049 1.03922 1.04048 1.05524 1.06969 1.07873 1.08135 1.08528 1.10493 1.10677 1.13415 1.14736 1.17246 1.20396 1.24212 1.24726 1.27550 1.29865 1.30159 1.32574 1.33740 1.35958 1.37145 1.38505 1.40832 1.42268 1.42866 1.44657 1.46298 1.46382 1.48128 1.48325 1.48721 1.49690 1.50782 1.51568 1.51597 1.52690 1.54585 1.57353 1.58142 1.59582 1.59672 1.60431 1.61318 1.61494 1.62641 1.63672 1.63977 1.64680 1.64785 1.66171 1.66584 1.67725 1.68201 1.69530 1.70464 1.70645 1.71476 1.73699 1.75302 1.75631 1.76077 1.76234 1.77360 1.77380 1.79519 1.80343 1.81342 1.81764 1.83426 1.83457 1.83718 1.84233 1.84998 1.85564 1.87523 1.87590 1.89332 1.89784 1.90145 1.91369 1.92690 1.93231 1.95534 1.97877 1.98353 1.99641 1.99758 1.99938 2.00976 2.01805 2.02421 2.04307 2.06916 2.10730 2.10892 2.11563 2.14241 2.16077 2.17090 2.18020 2.21355 2.24064 2.25243 2.29854 2.31370 2.32233 2.37056 2.39405 2.39939 2.40323 2.42208 2.42467 2.43508 2.43885 2.44726 2.46047 2.46125 2.49354 2.49446 2.54110 2.55211 2.57531 2.59942 2.60527 2.65965 2.66062 2.70488 2.71794 2.72770 2.75954 2.78039 2.80078 2.80695 2.88746 2.96546 3.02455 3.04711 3.06847 3.54328 3.55711 -14.38149 -14.38144 -10.25122 -10.23022 -10.22979 -10.22787 -10.22786 -10.19797 -10.19070 -10.19068 -10.18771 -10.18725 -10.18439 -10.18438 -10.18062 -10.18061 -10.17219 -1.02711 -0.92932 -0.85555 -0.83940 -0.77187 -0.76227 -0.74989 -0.73688 -0.71822 -0.68880 -0.64194 -0.61566 -0.59254 -0.58790 -0.57601 -0.52554 -0.51680 -0.51073 -0.48129 -0.47487 -0.45894 -0.44862 -0.44451 -0.44302 -0.43877 -0.43247 -0.41456 -0.41353 -0.39956 -0.39697 -0.39196 -0.36599 -0.35882 -0.35245 -0.34679 -0.33507 -0.32662 -0.30015 -0.26226 -0.24649 -0.23020 -0.21599 -0.04903 0.00140 0.00220 0.00838 0.05275 0.05807 0.07162 0.07337 0.09000 0.10226 0.11351 0.11407 0.11882 0.12637 0.13221 0.13503 0.14398 0.15177 0.15287 0.16001 0.16394 0.18122 0.18304 0.19403 0.21173 0.21994 0.25592 0.25876 0.27760 0.28901 0.29247 0.30245 0.30787 0.32787 0.34737 0.34898 0.38575 0.39109 0.40404 0.40698 0.43355 0.43559 0.44915 0.46880 0.47103 0.47176 0.47399 0.49408 0.49631 0.49644 0.50396 0.50460 0.50825 0.51460 0.51594 0.52639 0.52831 0.53529 0.53571 0.53958 0.55449 0.55631 0.56898 0.57270 0.58140 0.59113 0.61528 0.61707 0.61866 0.62114 0.62989 0.63486 0.64823 0.64956 0.65592 0.66351 0.66644 0.66995 0.67774 0.68021 0.69004 0.70622 0.71581 0.71731 0.72348 0.73851 0.76139 0.76685 0.77141 0.77434 0.80273 0.82305 0.84543 0.86802 0.87160 0.88186 0.89241 0.91060 0.91160 0.91446 0.91942 0.93970 0.94689 0.94800 0.95114 0.98072 0.99140 0.99483 0.99880 1.01478 1.01707 1.02088 1.03413 1.04058 1.04228 1.05683 1.07510 1.08144 1.08310 1.08786 1.10707 1.10861 1.13663 1.14966 1.17458 1.20629 1.24465 1.24992 1.27717 1.29934 1.30420 1.32781 1.34061 1.36305 1.37559 1.38656 1.40993 1.42407 1.43110 1.44884 1.46512 1.46675 1.48336 1.48466 1.48906 1.49857 1.50942 1.51739 1.51780 1.52856 1.54769 1.57467 1.58261 1.59751 1.59877 1.60788 1.61467 1.61554 1.62795 1.63863 1.64107 1.64833 1.65029 1.66344 1.66697 1.67866 1.68296 1.69714 1.70579 1.70836 1.71597 1.73885 1.75547 1.75794 1.76385 1.76453 1.77515 1.77547 1.79703 1.80688 1.81525 1.81941 1.83540 1.83663 1.84055 1.84324 1.85077 1.85666 1.87665 1.87730 1.89584 1.89989 1.90285 1.91608 1.92887 1.93560 1.95725 1.98013 1.98540 1.99879 2.00042 2.00059 2.01222 2.01963 2.02655 2.04533 2.07289 2.10921 2.11336 2.11704 2.14541 2.16273 2.17195 2.18172 2.21776 2.24494 2.25668 2.29931 2.31580 2.32380 2.37170 2.39442 2.40119 2.40451 2.42373 2.42548 2.43542 2.44041 2.44890 2.46175 2.46301 2.49445 2.49779 2.54258 2.55286 2.57845 2.60431 2.61120 2.66119 2.66241 2.70626 2.71865 2.73012 2.76061 2.78192 2.80472 2.80883 2.88809 2.96654 3.02562 3.04943 3.07021 3.54393 3.55869 6.71097013e-02 6.72166121e-01 8.39552408e-03 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.1706 1.7085 0.0213 1.7171 -87.8825 -103.6158 -103.6225 -16.6213 4.4808 -0.3779 10.4911 -5.2422 -5.2489 -16.6213 4.4808 -0.3779 2196.0041 -294.2545 -24.3462 871.0969 86.6768 -84.9268 875.6756 -111.4837 -7.2207 1.5672 -38084.6785 -5158.9451 -263.6206 155.2511 1086.1955 2298.7764 -52.8760 95.5706 -51.1934 -8338.7454 -7633.4224 -1012.3656 -3.9422 68.4747 875.1175 0 -690.2116785 0.765539 0. 0.750192 7.673E-9 3.088E-6 7.7998575,-3.8974305,-3.902427,-12.3575662,3.3313921,-0.2809469 C01 [X(C15H15N2)] 0.0671097 0.6721661 0.0083955 -0.000000261 -0.000006426 0.000002059 -0.000003149 -0.000000441 -0.000001150 0.000000121 0.000000636 -0.000000533 0.000001707 0.000000086 0.000000041 -0.000002003 -0.000001008 0.000001156 0.000001591 0.000001209 0.000001999 0.000003298 -0.000011195 0.000005230 0.000000324 0.000000423 -0.000003792 0.000000121 -0.000000550 -0.000001160 -0.000001899 -0.000000649 0.000001545 -0.000000735 0.000001590 0.000004050 -0.000002114 0.000000438 -0.000005004 -0.000003770 0.000003259 -0.000008737 -0.000003433 -0.000002319 -0.000001548 0.000001092 0.000000270 -0.000004461 0.000000984 0.000001901 -0.000003254 0.000000275 0.000001796 -0.000004073 0.000002630 0.000001989 0.000008638 -0.000001042 -0.000000498 0.000004339 -0.000001540 -0.000000257 0.000004555 -0.000001572 -0.000000714 0.000003905 0.000010432 0.000005825 0.000002196 -0.000001917 0.000005502 -0.000005019 -0.000003088 0.000004005 0.000001632 0.000000747 -0.000001578 -0.000001118 0.000002649 -0.000001624 -0.000001207 -0.000001631 -0.000000345 -0.000000575 -0.000000259 -0.000001242 0.000000947 0.000000591 -0.000000022 0.000000098 0.000002370 -0.000000204 -0.000003273 -0.000001383 0.000000284 0.000002383 0.000000865 -0.000000138 0.000000132 208.1738999999999 AuxInfo=1/0/N:14,18,29,25,27,4,5,23,24,3,6,22,2,1,7,12,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3/rA:32nC3C3C3C3C3C3C3HHHHNNCHHHCHHHC3C3C3C3HC3HC3HHH/rB:s1;s2;s3;s4;s1s5;;s3;s4;s5;s6;s2s7;s1s7;s12;s14;s14;s14;s13;s18;s18;s18;s7;s22;s22;s23;s23;s24;s24;s25s27;s25;s27;s29;/rC:-8.952,2.9261,-.0373;-7.5756,2.7811,.2475;-6.748,3.8914,.4064;-7.3383,5.1643,.2763;-8.7018,5.3078,.0046;-9.5371,4.1851,-.1611;-8.4838,.6983,.0725;-5.6879,3.7821,.6358;-6.715,6.0526,.3956;-9.132,6.3069,-.0868;-10.5968,4.2995,-.3905;-7.3051,1.4203,.3067;-9.4916,1.6503,-.1362;-5.956,.8884,.2134;-5.322,1.6156,-.3138;-5.5195,.6946,1.206;-5.9684,-.0473,-.3583;-10.9206,1.3985,-.057;-11.3984,2.2261,.4864;-11.3814,1.3188,-1.0542;-11.0998,.4667,.4928;-8.6282,-.7125,.0517;-7.7853,-1.5696,.8365;-9.6249,-1.3578,-.7553;-7.9337,-2.9486,.8055;-7.044,-1.1321,1.5049;-9.7591,-2.7386,-.765;-10.2603,-.7599,-1.4083;-8.9197,-3.5602,.0097;-7.2796,-3.5646,1.4284;-10.5226,-3.1908,-1.4036;-9.0309,-4.6455,-.0064; Gaussian 16 GINC-MAGINET212 SOLE Title Card Required ES64L-G16RevA.03 UB3LYP Gen Freq #PGeom=AllCheck Guess=TCheck SCRF=Check GenChk UB3LYP/ChkBas Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 208.1738999999999 AuxInfo=1/0/N:14,18,29,25,27,4,5,23,24,3,6,22,2,1,7,12,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3/rA:32nC3C3C3C3C3C3C3HHHHNNCHHHCHHHC3C3C3C3HC3HC3HHH/rB:s1;s2;s3;s4;s1s5;;s3;s4;s5;s6;s2s7;s1s7;s12;s14;s14;s14;s13;s18;s18;s18;s7;s22;s22;s23;s23;s24;s24;s25s27;s25;s27;s29;/rC:-8.952,2.9261,-.0373;-7.5756,2.7811,.2475;-6.748,3.8914,.4064;-7.3383,5.1643,.2763;-8.7018,5.3078,.0046;-9.5371,4.1851,-.1611;-8.4839,.6983,.0725;-5.6879,3.7821,.6358;-6.715,6.0526,.3956;-9.132,6.3069,-.0868;-10.5968,4.2995,-.3905;-7.3051,1.4203,.3067;-9.4916,1.6503,-.1362;-5.956,.8884,.2134;-5.322,1.6156,-.3138;-5.5195,.6946,1.206;-5.9684,-.0473,-.3583;-10.9206,1.3985,-.057;-11.3984,2.2261,.4864;-11.3814,1.3188,-1.0542;-11.0998,.4667,.4928;-8.6282,-.7125,.0517;-7.7853,-1.5696,.8365;-9.6249,-1.3578,-.7553;-7.9337,-2.9486,.8055;-7.044,-1.1321,1.5049;-9.7591,-2.7386,-.765;-10.2603,-.7599,-1.4083;-8.9197,-3.5602,.0097;-7.2796,-3.5646,1.4284;-10.5226,-3.1908,-1.4036;-9.0309,-4.6455,-.0064; Title Card Required Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 12 12 12 12 12 12 12 1 1 1 1 14 14 12 1 1 1 12 1 1 1 12 12 12 12 1 12 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 1 1 1 1 2 2 0 1 1 1 0 1 1 1 0 0 0 0 1 0 1 0 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 4.5500000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /home/programes/qq/gaussian/g16.A03/g16/l101.exe) Structure from the checkpoint file: "bi_rad.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 1 1 1 2 2 3 3 4 4 5 5 6 7 7 7 12 13 14 14 14 18 18 18 22 22 23 23 24 24 25 25 27 27 29 2 6 13 3 12 4 8 5 9 6 10 11 12 13 22 14 18 15 16 17 19 20 21 23 24 25 26 27 28 29 30 29 31 32 1.413 1.3939 1.3887 1.3939 1.3887 1.4091 1.0902 1.3977 1.0916 1.4091 1.0916 1.0902 1.402 1.4019 1.4183 1.4532 1.4531 1.0994 1.1015 1.0966 1.0994 1.1015 1.0966 1.4357 1.4357 1.3873 1.0898 1.3873 1.0898 1.407 1.0933 1.407 1.0933 1.0911 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 12 12 13 2 2 7 1 1 7 12 12 12 15 15 16 13 13 13 19 19 20 7 7 23 22 22 25 22 22 27 23 23 29 24 24 29 25 25 27 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 12 12 12 13 13 13 14 14 14 14 14 14 18 18 18 18 18 18 22 22 22 23 23 23 24 24 24 25 25 25 27 27 27 29 29 29 6 13 13 3 12 12 4 8 8 5 9 9 6 10 10 5 11 11 13 22 22 7 14 14 7 18 18 15 16 17 16 17 17 19 20 21 20 21 21 23 24 24 25 26 26 27 28 28 29 30 30 29 31 31 27 32 32 121.2968 107.3761 131.3255 121.3048 107.3868 131.3066 117.4094 121.4288 121.1567 121.2861 119.0632 119.6501 121.2907 119.6492 119.0595 117.4095 121.4325 121.1528 106.2342 126.8884 126.8774 109.4973 122.4636 125.5456 109.5041 122.5108 125.5272 108.9036 111.9932 109.5889 108.6619 108.7195 108.9142 108.8988 112.0011 109.5887 108.6685 108.7167 108.9073 121.7418 121.7351 116.5232 121.2262 119.6672 119.0473 121.2255 119.6677 119.0482 121.3092 118.8997 119.7817 121.3111 118.8996 119.7799 118.4036 120.7984 120.798 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 6 6 13 13 2 2 13 13 2 2 6 6 1 1 12 12 1 1 3 3 2 2 8 8 3 3 9 9 4 4 10 10 13 13 22 22 12 12 22 22 12 12 13 13 2 2 2 7 7 7 1 1 1 7 7 7 7 7 24 24 7 7 23 23 22 22 26 26 22 22 28 28 23 23 30 30 24 24 31 31 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 13 13 13 13 13 13 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 27 27 27 27 2 2 2 2 6 6 6 6 13 13 13 13 3 3 3 3 12 12 12 12 4 4 4 4 5 5 5 5 6 6 6 6 12 12 12 12 13 13 13 13 22 22 22 22 14 14 14 14 14 14 18 18 18 18 18 18 23 23 23 23 24 24 24 24 25 25 25 25 27 27 27 27 29 29 29 29 29 29 29 29 3 12 3 12 5 11 5 11 7 18 7 18 4 8 4 8 7 14 7 14 5 9 5 9 6 10 6 10 1 11 1 11 2 14 2 14 1 18 1 18 23 24 23 24 15 16 17 15 16 17 19 20 21 19 20 21 25 26 25 26 27 28 27 28 29 30 29 30 29 31 29 31 27 32 27 32 25 32 25 32 -0.4547 179.9885 179.9611 0.4042 0.2018 179.3817 179.6735 -1.1466 -0.3383 162.752 -179.8652 -16.775 0.2031 179.3906 179.6401 -1.1724 -0.3245 162.652 -179.8204 -16.8439 0.2847 179.9943 -178.9052 0.8044 -0.5407 179.7526 179.7514 0.0447 0.2859 -178.8964 179.9943 0.812 0.1179 -162.2089 -179.8435 17.8296 0.1399 -162.319 -179.8986 17.6425 29.2757 -150.7227 -150.678 29.3236 -23.8193 96.3847 -142.6313 136.3537 -103.4423 17.5417 -23.4464 96.7676 -142.252 136.8661 -102.9199 18.0605 -179.835 2.9905 0.1635 -177.011 -179.8318 2.9788 0.1697 -177.0196 -0.3352 -179.2117 176.8565 -2.02 -0.3398 -179.2204 176.8666 -2.014 0.1672 -179.8326 179.034 -0.9658 0.1698 -179.8304 179.0407 -0.9595 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. 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. 0.00121 0.00167 0.00384 0.00401 0.00965 0.01219 0.01403 0.01584 0.01585 0.01601 0.01716 0.01854 0.01949 0.02047 0.02124 0.02158 0.02353 0.02413 0.02462 0.02561 0.02711 0.02797 0.02864 0.02884 0.02934 0.05888 0.05919 0.05951 0.05958 0.10540 0.10603 0.10888 0.11365 0.11644 0.11857 0.12030 0.12056 0.12569 0.12690 0.12765 0.15342 0.16921 0.17160 0.17627 0.17820 0.17993 0.18385 0.18839 0.19020 0.19026 0.19333 0.19393 0.20727 0.22462 0.24080 0.28588 0.29881 0.30561 0.32682 0.32915 0.33009 0.33797 0.34112 0.34124 0.34297 0.35277 0.35297 0.35410 0.35614 0.35791 0.35922 0.36108 0.36230 0.36348 0.36509 0.36594 0.36925 0.38411 0.39053 0.39078 0.41453 0.42097 0.43982 0.44347 0.45739 0.46746 0.48830 0.49059 0.51308 0.51862 Angle between quadratic step and forces= 71.18 degrees. 1 2 0.00030237 0.00000006 0.00000003 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 2.67021 2.63411 2.62427 2.63401 2.62424 2.66287 2.06018 2.64125 2.06289 2.66286 2.06289 2.06017 2.64932 2.64927 2.68029 2.74608 2.74600 2.07763 2.08160 2.07219 2.07748 2.08156 2.07232 2.71302 2.71305 2.62165 2.05940 2.62162 2.05938 2.65888 2.06595 2.65882 2.06595 2.06188 2.11703 1.87407 2.29206 2.11717 1.87425 2.29173 2.04918 2.11933 2.11458 2.11684 2.07804 2.08829 2.11692 2.08827 2.07798 2.04918 2.11940 2.11452 1.85414 2.21462 2.21443 1.91109 2.13739 2.19118 1.91121 2.13822 2.19086 1.90073 1.95465 1.91269 1.89651 1.89751 1.90091 1.90064 1.95479 1.91268 1.89662 1.89746 1.90079 2.12479 2.12468 2.03371 2.11580 2.08859 2.07777 2.11578 2.08859 2.07778 2.11724 2.07519 2.09058 2.11728 2.07519 2.09055 2.06653 2.10833 2.10832 -0.00794 3.14139 3.14091 0.00706 0.00352 3.13080 3.13589 -0.02001 -0.00590 2.84056 -3.13924 -0.29278 0.00354 3.13096 3.13531 -0.02046 -0.00566 2.83881 -3.13846 -0.29398 0.00497 3.14149 -3.12249 0.01404 -0.00944 3.13728 3.13725 0.00078 0.00499 -3.12233 3.14149 0.01417 0.00206 -2.83108 -3.13886 0.31119 0.00244 -2.83300 -3.13982 0.30792 0.51096 -2.63061 -2.62983 0.51179 -0.41573 1.68223 -2.48939 2.37982 -1.80541 0.30616 -0.40922 1.68891 -2.48277 2.38876 -1.79629 0.31522 -3.13871 0.05219 0.00285 -3.08943 -3.13866 0.05199 0.00296 -3.08958 -0.00585 -3.12783 3.08673 -0.03526 -0.00593 -3.12799 3.08691 -0.03515 0.00292 -3.13867 3.12473 -0.01686 0.00296 -3.13863 3.12485 -0.01675 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00003 0.00004 -0.00003 -0.00002 0.00003 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00002 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00005 -0.00006 0.00001 0.00004 0.00004 -0.00003 -0.00007 -0.00006 0.00001 -0.00001 0.00001 -0.00001 -0.00002 0.00002 0.00002 -0.00001 0.00001 -0.00001 0.00000 -0.00002 0.00007 -0.00008 0.00001 -0.00001 0.00003 -0.00002 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00005 0.00003 -0.00002 0.00002 0.00004 -0.00002 -0.00000 0.00006 -0.00048 0.00010 -0.00044 -0.00001 -0.00001 0.00004 0.00005 -0.00003 0.00031 -0.00008 0.00026 0.00002 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00002 -0.00004 -0.00001 -0.00003 0.00007 -0.00029 -0.00019 -0.00055 -0.00008 0.00048 0.00018 0.00074 0.00018 0.00009 -0.00013 -0.00022 -0.00002 -0.00004 -0.00001 0.00037 0.00036 0.00038 0.00013 0.00013 0.00011 -0.00049 -0.00049 -0.00051 -0.00009 -0.00008 -0.00001 -0.00000 0.00009 0.00013 0.00001 0.00005 -0.00000 -0.00001 -0.00001 -0.00002 0.00000 -0.00000 -0.00003 -0.00004 0.00002 0.00001 0.00003 0.00002 -0.00002 -0.00001 -0.00002 -0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00003 0.00004 -0.00003 -0.00002 0.00003 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00002 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00005 -0.00006 0.00001 0.00004 0.00004 -0.00003 -0.00007 -0.00006 0.00001 -0.00001 0.00001 -0.00001 -0.00002 0.00002 0.00002 -0.00001 0.00001 -0.00001 0.00000 -0.00002 0.00007 -0.00008 0.00001 -0.00001 0.00003 -0.00002 0.00000 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00005 0.00003 -0.00002 0.00002 0.00004 -0.00002 -0.00000 0.00006 -0.00048 0.00010 -0.00044 -0.00001 -0.00001 0.00004 0.00005 -0.00003 0.00031 -0.00008 0.00026 0.00002 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00002 -0.00004 -0.00001 -0.00003 0.00007 -0.00029 -0.00019 -0.00055 -0.00008 0.00048 0.00018 0.00074 0.00018 0.00009 -0.00013 -0.00022 -0.00002 -0.00004 -0.00001 0.00037 0.00036 0.00038 0.00013 0.00013 0.00011 -0.00049 -0.00049 -0.00051 -0.00009 -0.00008 -0.00001 -0.00000 0.00009 0.00013 0.00001 0.00005 -0.00000 -0.00001 -0.00001 -0.00002 0.00000 -0.00000 -0.00003 -0.00004 0.00002 0.00001 0.00003 0.00002 -0.00002 -0.00001 -0.00002 -0.00001 2.67020 2.63411 2.62429 2.63402 2.62423 2.66287 2.06018 2.64126 2.06289 2.66286 2.06289 2.06018 2.64929 2.64930 2.68025 2.74606 2.74602 2.07763 2.08160 2.07219 2.07749 2.08155 2.07233 2.71301 2.71306 2.62166 2.05940 2.62162 2.05938 2.65888 2.06595 2.65882 2.06595 2.06188 2.11701 1.87408 2.29206 2.11718 1.87425 2.29173 2.04918 2.11934 2.11458 2.11684 2.07804 2.08830 2.11692 2.08828 2.07797 2.04919 2.11940 2.11450 1.85414 2.21467 2.21437 1.91110 2.13744 2.19123 1.91118 2.13815 2.19080 1.90073 1.95464 1.91270 1.89650 1.89749 1.90093 1.90066 1.95478 1.91269 1.89662 1.89747 1.90078 2.12487 2.12460 2.03372 2.11579 2.08862 2.07775 2.11579 2.08858 2.07779 2.11725 2.07519 2.09058 2.11727 2.07520 2.09056 2.06653 2.10832 2.10833 -0.00794 3.14134 3.14094 0.00704 0.00354 3.13084 3.13587 -0.02001 -0.00585 2.84008 -3.13915 -0.29322 0.00353 3.13095 3.13535 -0.02041 -0.00569 2.83912 -3.13854 -0.29372 0.00499 3.14150 -3.12247 0.01404 -0.00944 3.13727 3.13726 0.00078 0.00497 -3.12237 3.14148 0.01414 0.00212 -2.83137 -3.13905 0.31064 0.00237 -2.83252 -3.13964 0.30866 0.51114 -2.63051 -2.62996 0.51158 -0.41575 1.68219 -2.48939 2.38019 -1.80505 0.30655 -0.40909 1.68904 -2.48265 2.38827 -1.79678 0.31471 -3.13880 0.05212 0.00284 -3.08943 -3.13857 0.05212 0.00298 -3.08953 -0.00585 -3.12785 3.08672 -0.03528 -0.00593 -3.12799 3.08687 -0.03519 0.00294 -3.13866 3.12476 -0.01683 0.00295 -3.13865 3.12483 -0.01676 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000002 0.001232 0.000302 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.112784e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 1 1 1 2 2 3 3 4 4 5 5 6 7 7 7 12 13 14 14 14 18 18 18 22 22 23 23 24 24 25 25 27 27 29 2 6 13 3 12 4 8 5 9 6 10 11 12 13 22 14 18 15 16 17 19 20 21 23 24 25 26 27 28 29 30 29 31 32 1.413 1.3939 1.3887 1.3939 1.3887 1.4091 1.0902 1.3977 1.0916 1.4091 1.0916 1.0902 1.402 1.4019 1.4183 1.4532 1.4531 1.0994 1.1015 1.0966 1.0994 1.1015 1.0966 1.4357 1.4357 1.3873 1.0898 1.3873 1.0898 1.407 1.0933 1.407 1.0933 1.0911 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 12 12 13 2 2 7 1 1 7 12 12 12 15 15 16 13 13 13 19 19 20 7 7 23 22 22 25 22 22 27 23 23 29 24 24 29 25 25 27 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 12 12 12 13 13 13 14 14 14 14 14 14 18 18 18 18 18 18 22 22 22 23 23 23 24 24 24 25 25 25 27 27 27 29 29 29 6 13 13 3 12 12 4 8 8 5 9 9 6 10 10 5 11 11 13 22 22 7 14 14 7 18 18 15 16 17 16 17 17 19 20 21 20 21 21 23 24 24 25 26 26 27 28 28 29 30 30 29 31 31 27 32 32 121.2968 107.3761 131.3255 121.3048 107.3868 131.3066 117.4094 121.4288 121.1567 121.2861 119.0632 119.6501 121.2907 119.6492 119.0595 117.4095 121.4325 121.1528 106.2342 126.8884 126.8774 109.4973 122.4636 125.5456 109.5041 122.5108 125.5272 108.9036 111.9932 109.5889 108.6619 108.7195 108.9142 108.8988 112.0011 109.5887 108.6685 108.7167 108.9073 121.7418 121.7351 116.5232 121.2262 119.6672 119.0473 121.2255 119.6677 119.0482 121.3092 118.8997 119.7817 121.3111 118.8996 119.7799 118.4036 120.7984 120.798 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 6 6 13 13 2 2 13 13 2 2 6 6 1 1 12 12 1 1 3 3 2 2 8 8 3 3 9 9 4 4 10 10 13 13 22 22 12 12 22 22 12 12 13 13 2 2 2 7 7 7 1 1 1 7 7 7 7 7 24 24 7 7 23 23 22 22 26 26 22 22 28 28 23 23 30 30 24 24 31 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 12 12 12 12 12 12 13 13 13 13 13 13 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 27 27 27 2 2 2 2 6 6 6 6 13 13 13 13 3 3 3 3 12 12 12 12 4 4 4 4 5 5 5 5 6 6 6 6 12 12 12 12 13 13 13 13 22 22 22 22 14 14 14 14 14 14 18 18 18 18 18 18 23 23 23 23 24 24 24 24 25 25 25 25 27 27 27 27 29 29 29 29 29 29 29 3 12 3 12 5 11 5 11 7 18 7 18 4 8 4 8 7 14 7 14 5 9 5 9 6 10 6 10 1 11 1 11 2 14 2 14 1 18 1 18 23 24 23 24 15 16 17 15 16 17 19 20 21 19 20 21 25 26 25 26 27 28 27 28 29 30 29 30 29 31 29 31 27 32 27 32 25 32 25 -0.4547 179.9885 179.9611 0.4042 0.2018 179.3817 179.6735 -1.1466 -0.3383 162.752 -179.8652 -16.775 0.2031 179.3906 179.6401 -1.1724 -0.3245 162.652 -179.8204 -16.8439 0.2847 179.9943 -178.9052 0.8044 -0.5407 179.7526 179.7514 0.0447 0.2859 -178.8964 179.9943 0.812 0.1179 -162.2089 -179.8435 17.8296 0.1399 -162.319 -179.8986 17.6425 29.2757 -150.7227 -150.678 29.3236 -23.8193 96.3847 -142.6313 136.3537 -103.4423 17.5417 -23.4464 96.7676 -142.252 136.8661 -102.9199 18.0605 -179.835 2.9905 0.1635 -177.011 -179.8318 2.9788 0.1697 -177.0196 -0.3352 -179.2117 176.8565 -2.02 -0.3398 -179.2204 176.8666 -2.014 0.1672 -179.8326 179.034 -0.9658 0.1698 -179.8304 179.0407 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3(BJ) -0.0696640625 PCM UFF Total charges None Matrix inversion n,n-DiMethylFormamide 37.219000 2.046330 0.000000 1.413015 0.000000 2.446665 1.393859 0.000000 2.777083 2.395173 1.409132 0.000000 2.395215 2.776964 2.446384 1.397691 0.000000 1.393911 2.446614 2.861364 2.446435 1.409127 0.000000 2.279020 2.278934 3.649696 4.615075 4.615112 3.649886 0.000000 3.440965 2.171662 1.090199 2.182618 3.436578 3.951501 4.200497 0.000000 3.868649 3.385988 2.161437 1.091635 2.157501 3.429509 5.648092 2.503592 0.000000 3.386010 3.868532 3.429470 2.157492 1.091636 2.161394 5.648153 4.331188 2.477745 0.000000 2.171746 3.440960 3.951498 3.436586 2.182572 1.090197 4.200872 5.041659 4.331164 2.503465 0.000000 2.257827 1.388690 2.535091 3.744300 4.141815 3.583990 1.401958 2.881272 4.670551 5.231767 4.428424 0.000000 1.388706 2.257685 3.583879 4.141888 3.744441 2.535342 1.401931 4.428186 5.231835 4.670724 2.881724 2.242729 0.000000 3.631908 2.491289 3.111700 4.494258 5.207124 4.881927 2.538881 2.936605 5.222848 6.287892 5.791124 1.453165 3.633630 0.000000 3.869112 2.598401 2.780499 4.123917 5.015588 4.938891 3.314759 2.393511 4.704266 6.047771 5.918758 2.087021 4.173500 1.099435 0.000000 4.278714 3.082201 3.516900 4.914389 5.731705 5.494947 3.173694 3.144225 5.549258 6.798540 6.428325 2.126967 4.300323 1.101535 1.788066 0.000000 4.224360 3.309008 4.087251 5.425859 6.023262 5.539654 2.658724 3.966183 6.191433 7.103354 6.349570 2.093469 3.917142 1.096557 1.784665 1.788547 0.000000 2.491825 3.632262 4.882565 5.208196 4.495498 3.112889 2.538606 5.791586 6.289025 5.224221 2.938057 3.633753 1.453119 4.998000 5.608604 5.591260 5.167645 0.000000 2.597928 3.870302 4.940213 5.016150 4.123188 2.778712 3.316641 5.920609 6.048468 4.702974 2.389710 4.175731 2.086861 5.611033 6.159153 6.117611 5.946969 1.099357 0.000000 3.085395 4.279884 5.497285 5.736319 4.920736 3.523491 3.170257 6.429662 6.803377 5.556714 3.152920 4.298695 2.127007 5.588149 6.111672 6.313549 5.625935 1.101513 1.788058 0.000000 3.307943 4.223350 5.538398 6.021910 5.424488 4.086091 2.659557 6.348291 7.101931 6.190015 3.965351 3.917055 2.093478 5.168547 5.945796 5.630273 5.226744 1.096626 1.784626 1.788508 0.000000 3.654007 3.653987 4.985658 6.020907 6.020925 4.985788 1.418346 5.402568 7.038790 7.038824 5.402876 2.522771 2.522625 3.119223 4.060102 3.602272 2.772186 3.118155 4.061822 3.595774 2.773712 0.000000 4.726086 4.395434 5.575286 6.771980 6.987922 6.097648 2.493069 5.751514 7.709577 8.044003 6.622460 3.074237 3.771704 3.126698 4.187669 3.224413 2.654440 4.408850 5.252135 4.985022 3.905175 1.435671 0.000000 4.395434 4.726103 6.097565 6.987926 6.771992 5.575386 2.492999 6.622220 8.043991 7.709591 5.751772 3.771895 3.074069 4.409615 5.248904 4.991363 3.904495 3.124657 4.187083 3.215420 2.657362 1.435683 2.441968 0.000000 6.021564 5.767978 6.953504 8.151970 8.330675 7.375356 3.760369 7.097505 9.092559 9.375357 7.813985 4.442009 4.946139 4.357094 5.376408 4.388792 3.692471 5.344419 6.235732 5.792828 4.667574 2.459859 1.387319 2.797729 0.000000 4.742103 4.144528 5.150758 6.421941 6.817018 6.104439 2.734145 5.171433 7.277255 7.888750 6.761464 2.831757 4.052884 2.633286 3.717943 2.397982 2.409436 4.885792 5.592471 5.600856 4.475432 2.190341 1.089785 3.438140 2.140191 0.000000 5.767916 6.021596 7.375305 8.330680 8.151938 6.953524 3.760303 7.813803 9.375358 9.092518 7.097649 4.946367 4.441758 5.345593 6.232970 5.800466 4.666642 4.354934 5.376006 4.379268 3.694975 2.459847 2.797713 1.387301 2.417163 3.886485 0.000000 4.144558 4.742136 6.104378 6.817042 6.421975 5.150881 2.734025 6.761248 7.888749 7.277284 5.171706 4.053066 2.831642 4.886053 5.588128 5.605830 4.475534 2.630701 3.715031 2.388143 2.413141 2.190349 3.438134 1.089776 3.886498 4.355458 2.140177 0.000000 6.486488 6.486552 7.771742 8.870691 8.870662 7.771752 4.281231 8.046463 9.869889 9.869851 8.046585 5.244085 5.243815 5.349291 6.311662 5.576367 4.602844 5.347527 6.312871 5.567441 4.604495 2.862885 2.435790 2.435771 1.407018 3.413165 1.406988 3.413139 0.000000 6.861000 6.461408 7.544447 8.804789 9.097732 8.226821 4.632608 7.558749 9.688887 10.157425 8.726740 5.109579 5.876728 4.801744 5.805310 4.613844 4.157250 6.332044 7.168261 6.843686 5.632040 3.442147 2.141454 3.890901 1.093254 2.445026 3.411908 4.979752 2.168633 0.000000 6.461344 6.861055 8.226803 9.097758 8.804759 7.544452 4.632524 8.726605 10.157449 9.688837 7.558853 5.876977 5.109331 6.333050 7.164809 6.851029 5.631551 4.799268 5.803606 4.603909 4.160066 3.442139 3.890886 2.141437 3.411901 4.979739 1.093254 2.445015 2.168586 4.321666 0.000000 7.572020 7.572101 8.846490 9.958776 9.958735 8.846471 5.372330 9.089091 10.953225 10.953167 9.089165 6.314269 6.313979 6.334566 7.283642 6.505060 5.535878 6.332702 7.284718 6.495855 5.537476 3.953984 3.423879 3.423852 2.177682 4.309918 2.177650 4.309879 1.091100 2.508774 2.508707 0.000000 1.2131067 0.2921418 0.2419261 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. Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 329 329 329 329 329 MxSgAt= 32 MxSgA2= 32. 1 open 1 1 1 -690.211678500501 -690.211678501 1 0.7655 6.852169655790e+02 -3.867168671953e+03 1.358333412695e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2684354560 LenX= 2684123386 LenY= 2684014045 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. 0.7655 Using compressed storage, NAtomX= 32. Will process 33 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111 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. 9656 words used for storage of precomputed grid. Keep R1 and R2 ints in memory in canonical form, NReq=2451766376. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 49141 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Two-electron integral symmetry not used. MDV= 2684354560 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 0. CalDSu: requested number of processors reduced to: 20 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. There are 99 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 96 vectors produced by pass 0 Test12= 3.05D-14 1.01D-09 XBig12= 1.67D+03 3.08D+01. AX will form 96 AO Fock derivatives at one time. CalDSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 96 vectors produced by pass 1 Test12= 3.05D-14 1.01D-09 XBig12= 1.45D+02 1.87D+00. CalDSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 96 vectors produced by pass 2 Test12= 3.05D-14 1.01D-09 XBig12= 2.43D+00 3.17D-01. CalDSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 96 vectors produced by pass 3 Test12= 3.05D-14 1.01D-09 XBig12= 3.52D-02 4.64D-02. CalDSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 96 vectors produced by pass 4 Test12= 3.05D-14 1.01D-09 XBig12= 1.52D-04 1.02D-03. CalDSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 96 vectors produced by pass 5 Test12= 3.05D-14 1.01D-09 XBig12= 8.73D-07 1.14D-04. CalDSu: requested number of processors reduced to: 21 ShMem 1 Linda. CoulSu: requested number of processors reduced to: 23 ShMem 1 Linda. 62 vectors produced by pass 6 Test12= 3.05D-14 1.01D-09 XBig12= 3.30D-09 5.47D-06. CalDSu: requested number of processors reduced to: 31 ShMem 1 Linda. 15 vectors produced by pass 7 Test12= 3.05D-14 1.01D-09 XBig12= 8.84D-12 3.93D-07. 3 vectors produced by pass 8 Test12= 3.05D-14 1.01D-09 XBig12= 3.13D-14 1.80D-08. InvSVY: IOpt=1 It= 1 EMax= 1.97D-14 Solved reduced A of dimension 656 with 99 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 319.16 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 237.933 36.092 593.709 48.368 2.045 125.838 282.736 30.183 582.855 58.867 0.325 158.505 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 C C C C C C C H H H H N N C H H H C H H H C C C C H C H C H H H 13 13 13 13 13 13 13 1 1 1 1 14 14 13 1 1 1 13 1 1 1 13 13 13 13 1 13 1 13 1 1 1 -0.00622 -0.00621 0.00776 0.00100 0.00097 0.00779 0.03716 -0.00099 -0.00041 -0.00041 -0.00099 0.01539 0.01539 -0.00148 0.00049 0.00148 0.00079 -0.00152 0.00047 0.00148 0.00081 -0.01819 0.02558 0.02560 -0.01688 -0.00260 -0.01687 -0.00260 0.03194 0.00102 0.00101 -0.00372 -6.99290 -6.98151 8.72886 1.12238 1.09096 8.75316 41.77133 -4.43258 -1.83049 -1.81868 -4.44016 4.97137 4.97109 -1.66011 2.17288 6.59584 3.51123 -1.70390 2.10474 6.61657 3.61411 -20.45175 28.76179 28.77526 -18.97321 -11.63723 -18.96646 -11.63591 35.90723 4.53840 4.53254 -16.60663 -2.49524 -2.49117 3.11467 0.40049 0.38928 3.12335 14.90505 -1.58165 -0.65316 -0.64895 -1.58436 1.77391 1.77381 -0.59237 0.77534 2.35356 1.25290 -0.60799 0.75102 2.36096 1.28960 -7.29769 10.26292 10.26773 -6.77011 -4.15245 -6.76770 -4.15198 12.81259 1.61941 1.61732 -5.92566 -2.33258 -2.32878 2.91163 0.37439 0.36391 2.91974 13.93342 -1.47855 -0.61059 -0.60665 -1.48108 1.65827 1.65818 -0.55375 0.72479 2.20013 1.17122 -0.56836 0.70207 2.20705 1.20554 -6.82197 9.59390 9.59840 -6.32878 -3.88176 -6.32653 -3.88132 11.97736 1.51385 1.51189 -5.53937 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 0.006178 0.007075 -0.032464 -0.013064 -0.012877 -0.033068 -0.193315 0.005147 -0.000016 -0.001103 0.004441 -0.130823 -0.131985 0.007209 0.004392 0.003887 0.005315 0.007413 0.003683 0.003750 0.005618 0.004807 0.051519 0.056684 -0.011931 0.005905 -0.014481 0.003398 0.024936 -0.001407 -0.001912 -0.010741 0.024271 0.023243 -0.034915 -0.013257 -0.013399 -0.034755 -0.217207 -0.003852 0.001155 0.002273 -0.003122 -0.133389 -0.131314 -0.001728 -0.001475 -0.001210 -0.001172 -0.001963 -0.000766 -0.001063 -0.001506 0.006256 -0.090569 -0.095252 0.040035 -0.006557 0.042577 -0.003711 -0.127154 0.003813 0.004380 0.018718 -0.030449 -0.030318 0.067379 0.026321 0.026277 0.067823 0.410522 -0.001294 -0.001138 -0.001170 -0.001319 0.264212 0.263299 -0.005481 -0.002917 -0.002677 -0.004143 -0.005450 -0.002917 -0.002686 -0.004112 -0.011063 0.039050 0.038568 -0.028104 0.000651 -0.028096 0.000313 0.102218 -0.002406 -0.002469 -0.007977 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 -0.000571 0.003861 0.001406 -0.000165 0.000302 -0.001200 -0.000433 0.000868 0.002880 -0.002407 -0.002599 0.002655 -0.003056 -0.001535 0.001224 -0.000229 -0.001400 -0.000429 -0.002248 -0.000865 0.000044 0.000206 -0.025961 -0.000119 0.011022 0.004983 -0.001354 -0.007196 -0.012758 0.001789 -0.000644 0.003191 0.007932 0.008236 -0.021461 -0.007100 -0.006562 -0.020537 -0.136009 0.000669 0.000321 0.000139 0.000537 0.007989 0.004708 0.001742 -0.001349 0.002565 -0.001788 0.001833 -0.001365 0.002537 -0.001700 -0.008419 -0.142156 -0.143895 0.053581 0.006608 0.053374 0.005311 -0.198635 0.001745 0.001489 -0.009410 -0.001332 0.001305 -0.004275 -0.002206 0.002427 0.005517 0.004649 0.000300 0.000525 -0.000484 -0.000491 0.007158 -0.020564 -0.000427 0.000108 -0.000105 -0.000145 0.000187 0.000217 -0.000375 0.000579 0.001194 0.023172 0.002146 -0.004483 0.004739 -0.004402 -0.006119 0.016948 0.001003 -0.001138 0.001363 -0.2025 0.0211 0.9791 0.9783 0.0501 0.2012 -0.0448 0.9985 -0.0308 -0.0321 0.0078 0.0243 -4.31 1.044 3.266 -1.538 0.373 1.165 -1.438 0.348 1.089 1 C 13 -0.2051 -0.0088 0.9787 0.9474 -0.2527 0.1963 0.2456 0.9675 0.0601 -0.0321 0.0078 0.0243 -4.302 1.04 3.261 -1.535 0.371 1.164 -1.435 0.347 1.088 2 C 13 0.9482 -0.2589 0.1843 0.2457 0.965 0.0918 -0.2016 -0.0418 0.9786 -0.037 -0.035 0.072 -4.968 -4.692 9.659 -1.773 -1.674 3.447 -1.657 -1.565 3.222 3 C 13 0.8922 0.4154 0.1774 -0.418 0.9081 -0.0245 -0.1713 -0.0523 0.9838 -0.0146 -0.0131 0.0277 -1.953 -1.761 3.714 -0.697 -0.628 1.325 -0.651 -0.587 1.239 4 C 13 0.7867 -0.5956 0.1622 0.5962 0.8012 0.0501 -0.1598 0.0573 0.9855 -0.0145 -0.013 0.0275 -1.94 -1.748 3.688 -0.692 -0.624 1.316 -0.647 -0.583 1.23 5 C 13 0.9803 0.0576 0.1889 -0.0465 0.9969 -0.0628 -0.1919 0.0527 0.98 -0.0371 -0.035 0.0721 -4.978 -4.703 9.681 -1.776 -1.678 3.454 -1.66 -1.569 3.229 6 C 13 0.9724 -0.1028 0.2096 0.102 0.9947 0.0147 -0.21 0.0071 0.9777 -0.2226 -0.2172 0.4398 -29.87 -29.144 59.014 -10.658 -10.399 21.058 -9.964 -9.721 19.685 7 C 13 -0.088 0.9921 -0.0896 -0.1127 0.0795 0.9904 0.9897 0.0972 0.1048 -0.004 -0.0013 0.0053 -2.111 -0.718 2.829 -0.753 -0.256 1.01 -0.704 -0.24 0.944 8 H 1 0.7677 -0.6368 0.0712 -0.1363 -0.0536 0.9892 0.6262 0.7691 0.1279 -0.0024 -0.0012 0.0036 -1.268 -0.646 1.914 -0.452 -0.231 0.683 -0.423 -0.216 0.638 9 H 1 0.8805 0.4661 0.0865 -0.1246 0.0515 0.9909 -0.4574 0.8832 -0.1034 -0.0024 -0.0012 0.0036 -1.261 -0.647 1.908 -0.45 -0.231 0.681 -0.421 -0.216 0.636 10 H 1 0.2864 0.9508 0.1181 -0.1293 -0.0838 0.9881 0.9494 -0.2982 0.099 -0.004 -0.0013 0.0053 -2.116 -0.719 2.835 -0.755 -0.257 1.012 -0.706 -0.24 0.946 11 H 1 -0.5242 0.8516 -0.0048 0.8514 0.5239 -0.0268 0.0203 0.0181 0.9996 -0.1351 -0.1294 0.2645 -5.209 -4.992 10.201 -1.859 -1.781 3.64 -1.738 -1.665 3.403 12 N 14 0.6854 0.7275 0.0295 0.728 -0.6841 -0.0446 0.0123 -0.052 0.9986 -0.135 -0.1294 0.2644 -5.208 -4.991 10.198 -1.858 -1.781 3.639 -1.737 -1.665 3.402 13 N 14 -0.1266 0.0571 0.9903 0.1711 0.9846 -0.0349 0.9771 -0.1651 0.1344 -0.0057 -0.002 0.0077 -0.769 -0.266 1.034 -0.274 -0.095 0.369 -0.256 -0.089 0.345 14 C 13 0.202 -0.2005 0.9586 -0.1436 0.9622 0.2315 0.9688 0.1844 -0.1656 -0.0032 -0.0016 0.0049 -1.72 -0.871 2.591 -0.614 -0.311 0.924 -0.574 -0.29 0.864 15 H 1 -0.3253 0.0107 0.9456 0.0431 0.9991 0.0035 0.9446 -0.0419 0.3254 -0.0036 -0.0012 0.0048 -1.9 -0.651 2.551 -0.678 -0.232 0.91 -0.634 -0.217 0.851 16 H 1 0.1945 0.1235 0.9731 0.162 0.9744 -0.1561 0.9674 -0.188 -0.1695 -0.0045 -0.0014 0.0059 -2.411 -0.737 3.148 -0.86 -0.263 1.123 -0.804 -0.246 1.05 17 H 1 -0.14 -0.065 0.988 0.0319 0.997 0.0701 0.9896 -0.0413 0.1375 -0.0057 -0.002 0.0077 -0.768 -0.263 1.031 -0.274 -0.094 0.368 -0.256 -0.088 0.344 18 C 13 0.2322 0.1275 0.9643 0.3366 0.9196 -0.2026 0.9126 -0.3716 -0.1706 -0.0032 -0.0016 0.0049 -1.717 -0.873 2.59 -0.613 -0.312 0.924 -0.573 -0.291 0.864 19 H 1 -0.3243 0.0296 0.9455 0.1598 0.9869 0.0239 0.9324 -0.1588 0.3248 -0.0036 -0.0012 0.0048 -1.904 -0.647 2.551 -0.679 -0.231 0.91 -0.635 -0.216 0.851 20 H 1 0.1634 -0.1888 0.9683 0.0387 0.982 0.1849 0.9858 -0.0073 -0.1677 -0.0045 -0.0014 0.0059 -2.407 -0.744 3.152 -0.859 -0.266 1.125 -0.803 -0.248 1.051 21 H 1 0.3951 -0.056 0.917 0.1416 0.9899 -6.0E-4 0.9077 -0.13 -0.399 -0.0148 0.0063 0.0085 -1.981 0.843 1.138 -0.707 0.301 0.406 -0.661 0.281 0.38 22 C 13 0.6671 0.4045 0.6256 -0.201 0.9064 -0.3717 0.7174 -0.1222 -0.6859 -0.0975 -0.0943 0.1919 -13.089 -12.656 25.746 -4.671 -4.516 9.187 -4.366 -4.222 8.588 23 C 13 0.5705 -0.5478 0.6119 0.3783 0.8366 0.3963 0.729 -0.0054 -0.6845 -0.0975 -0.0943 0.1918 -13.087 -12.653 25.74 -4.67 -4.515 9.185 -4.365 -4.22 8.586 24 C 13 -0.6529 0.0917 0.7519 0.6324 -0.4802 0.6078 0.4168 0.8723 0.2555 -0.0752 0.0312 0.044 -10.088 4.186 5.903 -3.6 1.494 2.106 -3.365 1.396 1.969 25 C 13 -0.1562 0.9264 -0.3426 -0.6215 0.1774 0.763 0.7677 0.3322 0.5481 -0.0091 -0.0036 0.0128 -4.882 -1.937 6.819 -1.742 -0.691 2.433 -1.628 -0.646 2.274 26 H 1 -0.6602 0.0205 0.7508 0.7148 0.3241 0.6197 -0.2306 0.9458 -0.2286 -0.0751 0.0312 0.044 -10.084 4.183 5.9 -3.598 1.493 2.105 -3.364 1.395 1.968 27 C 13 0.3403 0.8651 0.3685 -0.6458 -0.0699 0.7603 0.6835 -0.4967 0.5349 -0.0091 -0.0036 0.0128 -4.881 -1.939 6.82 -1.742 -0.692 2.434 -1.628 -0.647 2.275 28 H 1 0.7658 -0.0878 0.6371 0.1019 0.9947 0.0146 -0.635 0.0537 0.7706 -0.1389 -0.1282 0.2671 -18.634 -17.205 35.839 -6.649 -6.139 12.788 -6.216 -5.739 11.955 29 C 13 -0.6205 0.043 0.783 0.7112 -0.39 0.585 0.3305 0.9198 0.2114 -0.0037 -0.001 0.0047 -1.992 -0.508 2.5 -0.711 -0.181 0.892 -0.664 -0.17 0.834 30 H 1 -0.6188 0.0607 0.7832 0.7736 0.2202 0.5941 -0.1364 0.9736 -0.1833 -0.0037 -0.001 0.0047 -1.992 -0.508 2.5 -0.711 -0.181 0.892 -0.664 -0.169 0.834 31 H 1 (Enter /home/programes/qq/gaussian/g16.A03/g16/l716.exe) PT8939.700S 2025-11-17T11:24:00.000 -10.22778 -10.22777 -10.19755 -10.19164 -10.19162 -10.18803 -10.18756 -10.18346 -10.18345 -10.18295 -10.18293 -10.17570 -1.03167 -0.93361 -0.85844 -0.84199 -0.77548 -0.76530 -0.75172 -0.73999 -0.72106 -0.68972 -0.64896 -0.61662 -0.59486 -0.58939 -0.57828 -0.52691 -0.51873 -0.51220 -0.48921 -0.47857 -0.46059 -0.45033 -0.44635 -0.44382 -0.43975 -0.43429 -0.41608 -0.41452 -0.40030 -0.39799 -0.39435 -0.36835 -0.36578 -0.35299 -0.34899 -0.34308 -0.32907 -0.30760 -0.27492 -0.25517 -0.23959 -0.22695 -0.11032 -0.00845 -0.00306 0.00679 0.03208 0.05748 0.07110 0.07298 0.08967 0.10162 0.11246 0.11369 0.11767 0.12400 0.13094 0.13257 0.14288 0.14585 0.15187 0.15725 0.16321 0.17604 0.18185 0.19293 0.20743 0.21743 0.25076 0.25862 0.27379 0.28821 0.29146 0.30038 0.30670 0.32642 0.34603 0.34728 0.38450 0.39005 0.40081 0.40598 0.43089 0.43188 0.44712 0.46647 0.46705 0.46899 0.47087 0.48971 0.49342 0.49447 0.50055 0.50138 0.50626 0.51148 0.51520 0.52504 0.52534 0.53441 0.53474 0.53751 0.55080 0.55471 0.56413 0.57234 0.57902 0.58728 0.61151 0.61397 0.61812 0.61941 0.62910 0.63387 0.64785 0.64886 0.65536 0.66171 0.66425 0.66884 0.67597 0.67728 0.68766 0.70402 0.71303 0.71642 0.72189 0.73735 0.75766 0.76515 0.76944 0.77058 0.79987 0.81825 0.84341 0.86505 0.87059 0.88104 0.89072 0.90857 0.90972 0.91383 0.91848 0.93661 0.94429 0.94473 0.94905 0.97836 0.98654 0.99265 0.99633 1.01379 1.01396 1.01865 1.03049 1.03922 1.04048 1.05524 1.06969 1.07873 1.08135 1.08528 1.10493 1.10677 1.13415 1.14736 1.17246 1.20396 1.24212 1.24726 1.27550 1.29865 1.30159 1.32574 1.33740 1.35958 1.37145 1.38505 1.40832 1.42268 1.42866 1.44657 1.46298 1.46382 1.48128 1.48325 1.48721 1.49690 1.50782 1.51568 1.51597 1.52690 1.54585 1.57353 1.58142 1.59582 1.59672 1.60431 1.61318 1.61494 1.62641 1.63672 1.63977 1.64680 1.64785 1.66171 1.66584 1.67725 1.68201 1.69530 1.70464 1.70645 1.71476 1.73699 1.75302 1.75631 1.76077 1.76234 1.77360 1.77380 1.79519 1.80343 1.81342 1.81764 1.83426 1.83457 1.83718 1.84233 1.84998 1.85564 1.87523 1.87590 1.89332 1.89784 1.90145 1.91369 1.92690 1.93231 1.95534 1.97877 1.98353 1.99641 1.99758 1.99938 2.00976 2.01805 2.02421 2.04307 2.06916 2.10730 2.10892 2.11563 2.14241 2.16077 2.17090 2.18020 2.21355 2.24064 2.25243 2.29854 2.31370 2.32233 2.37056 2.39405 2.39939 2.40323 2.42208 2.42467 2.43508 2.43885 2.44726 2.46047 2.46125 2.49354 2.49446 2.54110 2.55211 2.57531 2.59942 2.60527 2.65965 2.66062 2.70488 2.71794 2.72770 2.75954 2.78039 2.80078 2.80695 2.88746 2.96546 3.02454 3.04711 3.06847 3.54328 3.55711 -14.38149 -14.38144 -10.25122 -10.23022 -10.22979 -10.22787 -10.22786 -10.19797 -10.19070 -10.19068 -10.18771 -10.18724 -10.18439 -10.18437 -10.18062 -10.18061 -10.17219 -1.02711 -0.92932 -0.85555 -0.83940 -0.77187 -0.76227 -0.74989 -0.73688 -0.71822 -0.68880 -0.64194 -0.61566 -0.59254 -0.58790 -0.57601 -0.52554 -0.51680 -0.51073 -0.48129 -0.47487 -0.45894 -0.44862 -0.44451 -0.44302 -0.43877 -0.43247 -0.41456 -0.41353 -0.39956 -0.39697 -0.39196 -0.36599 -0.35882 -0.35245 -0.34679 -0.33507 -0.32662 -0.30015 -0.26226 -0.24649 -0.23020 -0.21599 -0.04903 0.00140 0.00220 0.00838 0.05275 0.05807 0.07162 0.07337 0.09000 0.10226 0.11351 0.11407 0.11882 0.12637 0.13221 0.13503 0.14398 0.15177 0.15287 0.16001 0.16394 0.18122 0.18304 0.19403 0.21173 0.21994 0.25592 0.25876 0.27760 0.28901 0.29247 0.30245 0.30787 0.32787 0.34737 0.34898 0.38575 0.39109 0.40404 0.40698 0.43355 0.43559 0.44915 0.46880 0.47103 0.47176 0.47399 0.49408 0.49631 0.49644 0.50396 0.50460 0.50825 0.51460 0.51594 0.52639 0.52831 0.53529 0.53571 0.53958 0.55449 0.55631 0.56898 0.57270 0.58140 0.59113 0.61528 0.61707 0.61866 0.62114 0.62989 0.63486 0.64823 0.64956 0.65592 0.66352 0.66644 0.66995 0.67774 0.68021 0.69004 0.70622 0.71581 0.71731 0.72348 0.73851 0.76139 0.76685 0.77141 0.77434 0.80273 0.82305 0.84543 0.86802 0.87160 0.88186 0.89241 0.91060 0.91160 0.91446 0.91942 0.93970 0.94689 0.94800 0.95114 0.98072 0.99140 0.99483 0.99880 1.01478 1.01707 1.02088 1.03413 1.04058 1.04228 1.05683 1.07510 1.08144 1.08310 1.08786 1.10707 1.10861 1.13663 1.14966 1.17458 1.20629 1.24465 1.24992 1.27717 1.29934 1.30420 1.32781 1.34061 1.36305 1.37559 1.38656 1.40993 1.42407 1.43110 1.44884 1.46512 1.46675 1.48336 1.48466 1.48906 1.49857 1.50942 1.51739 1.51780 1.52856 1.54769 1.57467 1.58261 1.59751 1.59877 1.60788 1.61467 1.61554 1.62795 1.63863 1.64107 1.64833 1.65029 1.66344 1.66697 1.67866 1.68296 1.69714 1.70579 1.70836 1.71597 1.73885 1.75547 1.75794 1.76385 1.76453 1.77515 1.77547 1.79703 1.80688 1.81525 1.81941 1.83540 1.83663 1.84055 1.84324 1.85077 1.85666 1.87665 1.87730 1.89584 1.89989 1.90285 1.91608 1.92887 1.93560 1.95725 1.98013 1.98540 1.99879 2.00042 2.00059 2.01222 2.01963 2.02655 2.04533 2.07289 2.10921 2.11336 2.11704 2.14541 2.16273 2.17195 2.18172 2.21776 2.24494 2.25668 2.29931 2.31580 2.32380 2.37170 2.39442 2.40119 2.40451 2.42373 2.42548 2.43542 2.44041 2.44890 2.46175 2.46301 2.49445 2.49779 2.54258 2.55286 2.57845 2.60431 2.61120 2.66119 2.66241 2.70626 2.71865 2.73012 2.76061 2.78192 2.80472 2.80883 2.88809 2.96654 3.02562 3.04943 3.07021 3.54393 3.55869 6.71097404e-02 6.72161904e-01 8.39540185e-03 2.37932707e+02 3.60921727e+01 5.93709253e+02 4.83681347e+01 2.04491470e+00 1.25837602e+02 -1.8373 -0.0003 -0.0003 0.0006 5.4322 10.3674 46.1641 82.1038 94.1412 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 46.1561 82.1029 94.1297 128.1752 131.0551 147.3852 156.3652 189.4389 265.0869 271.8218 287.1956 293.6453 328.4652 340.8301 430.5067 431.5825 460.2158 540.0873 542.0245 575.7440 579.9844 605.9530 624.7172 639.7714 694.2519 698.9380 730.0559 737.6831 757.0773 819.6102 829.4977 831.4862 835.1540 851.6206 897.2581 967.3017 971.5366 978.6108 980.7822 1024.1642 1034.1255 1037.3267 1055.1099 1096.3536 1113.7934 1127.8545 1128.0033 1139.2039 1149.9243 1154.9052 1168.8471 1192.0668 1258.3961 1260.4915 1306.6457 1342.2056 1350.0194 1355.8095 1399.4062 1424.6415 1442.4956 1446.5783 1454.1483 1455.8300 1467.5130 1472.0447 1481.9172 1482.9997 1502.1282 1520.5308 1549.1250 1578.7457 1627.6280 1631.8403 1652.4385 3037.3590 3038.0483 3108.7296 3109.6303 3153.9573 3154.5937 3163.5973 3167.7450 3179.4679 3193.4796 3195.6944 3204.3262 3207.1398 3207.3976 3211.2738 4.2969 4.0708 3.1939 3.0535 3.2345 1.1474 1.1190 4.5982 6.0293 4.4019 4.4276 2.7011 2.8492 4.3542 3.1794 3.6505 3.4054 5.9087 5.5175 5.3784 4.0020 5.8998 6.0085 4.3120 1.6612 5.6881 2.1380 1.2350 4.4025 1.2730 1.8199 3.4961 2.4753 1.5624 1.3628 1.2538 1.3351 1.2484 4.7895 2.8661 5.1687 2.0335 2.1956 1.7919 1.6526 1.3738 1.3691 1.3867 1.5725 1.1064 1.3001 1.1787 3.7378 1.8866 2.0840 2.0378 5.1558 2.5364 2.9520 2.1586 1.4057 1.5024 1.0677 1.1800 1.5218 1.2969 2.0233 1.3485 2.4021 3.8757 3.9181 5.9096 6.1975 7.1726 7.3217 1.0376 1.0375 1.1021 1.1020 1.1031 1.1028 1.0853 1.0887 1.0852 1.0908 1.0922 1.0915 1.0934 1.0946 1.0962 0.0054 0.0162 0.0167 0.0296 0.0327 0.0147 0.0161 0.0972 0.2496 0.1916 0.2152 0.1372 0.1811 0.2980 0.3472 0.4006 0.4250 1.0155 0.9551 1.0504 0.7932 1.2763 1.3816 1.0399 0.4717 1.6372 0.6714 0.3960 1.4867 0.5039 0.7378 1.4241 1.0172 0.6676 0.6464 0.6912 0.7425 0.7044 2.7145 1.7712 3.2567 1.2892 1.4401 1.2690 1.2079 1.0296 1.0264 1.0603 1.2251 0.8695 1.0465 0.9868 3.4874 1.7661 2.0963 2.1629 5.5364 2.7470 3.4061 2.5813 1.7233 1.8523 1.3302 1.4735 1.9310 1.6557 2.6180 1.7473 3.1934 5.2795 5.5399 8.6782 9.6734 11.2533 11.7792 5.6397 5.6419 6.2752 6.2786 6.4648 6.4661 6.3997 6.4365 6.4638 6.5540 6.5719 6.6028 6.6261 6.6346 6.6605 1.4520 3.3889 1.4745 1.5789 7.5216 0.5889 1.0046 0.7469 3.1344 0.3642 0.3960 1.2165 0.0286 0.5710 5.0098 1.3398 17.2490 2.4191 5.9717 18.0388 0.1593 0.6056 0.9049 3.0614 43.3934 6.9678 31.5305 93.6009 1.0523 0.0931 3.1172 0.2514 0.1087 9.7059 4.9755 0.6604 0.0035 0.7585 261.3303 165.0593 7.6254 81.1681 36.7578 13.7766 5.5748 25.5453 5.8208 11.4589 27.3602 7.1660 69.9012 139.6452 340.8412 24.6884 5.1988 1.7966 313.4501 7.6424 222.7382 36.5469 16.4086 0.0493 0.5294 23.4954 70.7347 2.0517 41.0977 157.1789 8.0128 393.6606 5.6442 236.3736 419.8415 27.1581 48.3466 122.0151 22.8082 29.8663 25.9705 8.9006 11.7680 36.7543 33.7747 1.6193 61.0455 32.1291 42.0438 26.8284 4.7952 3.3243 -0.00 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.02 -0.08 0.00 0.01 -0.18 -0.00 -0.01 -0.18 -0.01 -0.02 -0.08 -0.00 -0.00 0.15 0.00 0.04 -0.08 0.00 0.02 -0.27 -0.00 -0.01 -0.26 -0.01 -0.04 -0.07 -0.00 0.01 0.11 -0.01 -0.01 0.11 -0.01 -0.00 0.21 0.05 0.01 0.29 -0.09 -0.05 0.24 0.03 0.02 0.17 -0.01 -0.00 0.21 0.04 -0.02 0.27 -0.08 0.04 0.24 0.03 -0.02 0.18 0.01 -0.00 0.06 -0.00 -0.06 0.00 0.01 0.06 0.01 0.00 -0.06 -0.12 -0.01 -0.12 0.04 0.01 0.07 -0.11 0.02 0.12 0.05 0.01 0.00 -0.18 -0.00 -0.11 -0.17 0.02 0.12 -0.16 0.01 0.00 -0.27 -0.02 0.03 0.05 -0.03 -0.03 0.05 0.03 -0.07 0.01 0.10 -0.04 -0.04 0.11 0.02 -0.04 0.04 0.06 0.00 -0.11 0.01 0.07 0.03 -0.12 -0.00 0.15 -0.07 -0.08 0.16 0.04 -0.09 0.05 0.11 -0.01 -0.08 -0.04 0.07 -0.07 0.05 0.07 -0.10 -0.07 -0.11 -0.16 -0.08 -0.19 0.02 -0.08 -0.17 -0.20 -0.07 -0.11 -0.09 0.09 -0.10 -0.13 0.11 -0.18 0.03 0.09 -0.16 -0.18 0.11 -0.11 -0.11 0.01 0.08 -0.04 0.06 0.06 -0.06 -0.05 0.06 0.13 0.04 -0.03 -0.11 0.11 0.10 0.11 -0.07 -0.03 -0.14 -0.08 0.11 0.22 -0.02 -0.10 0.19 0.08 -0.06 0.16 -0.11 -0.05 0.36 -0.03 -0.18 0.01 0.00 -0.04 -0.01 0.00 0.04 -0.02 0.00 0.10 -0.01 0.00 0.06 0.01 0.00 -0.05 0.02 0.00 -0.10 0.00 -0.00 -0.00 -0.04 0.01 0.18 -0.02 0.00 0.11 0.02 0.00 -0.10 0.04 0.00 -0.18 -0.01 0.00 0.04 0.01 0.00 -0.05 0.01 0.02 0.08 0.04 0.11 0.25 -0.08 -0.13 0.08 0.07 0.12 -0.08 0.00 0.03 -0.08 -0.01 0.12 -0.22 0.04 -0.12 -0.08 -0.04 0.12 0.06 0.00 -0.00 -0.00 0.12 -0.02 -0.14 -0.12 -0.00 0.14 0.12 -0.02 -0.15 0.22 -0.04 -0.24 -0.13 -0.00 0.15 -0.22 -0.01 0.24 -0.00 -0.02 0.00 0.23 -0.03 -0.27 -0.24 0.01 0.27 -0.00 -0.01 0.00 -0.01 0.01 0.03 0.02 0.00 -0.10 0.04 -0.00 -0.18 0.03 0.00 -0.07 -0.01 0.01 0.12 -0.03 0.02 0.17 -0.01 0.00 -0.03 0.07 -0.01 -0.30 0.04 -0.00 -0.12 -0.02 0.02 0.23 -0.06 0.03 0.30 -0.00 0.01 -0.11 -0.01 0.02 0.03 -0.00 -0.03 0.22 0.15 -0.03 0.41 -0.26 -0.07 0.33 0.13 -0.01 0.19 -0.02 0.02 -0.12 -0.07 -0.00 -0.14 0.08 0.07 -0.18 -0.08 0.00 -0.18 -0.02 -0.00 -0.01 0.00 0.01 -0.02 -0.03 -0.03 0.02 0.04 0.00 -0.02 -0.00 0.01 -0.02 -0.01 -0.03 0.03 -0.06 -0.05 0.04 0.03 -0.02 0.00 0.06 0.02 -0.03 -0.02 -0.04 0.05 0.06 -0.02 -0.00 0.01 0.01 -0.13 -0.00 -0.01 -0.09 -0.00 -0.03 0.04 0.01 -0.02 0.11 0.03 0.01 0.04 0.03 0.02 -0.08 -0.04 0.01 -0.09 -0.02 -0.06 0.10 0.01 -0.03 0.22 0.04 0.02 0.10 0.04 0.05 -0.10 -0.03 -0.02 -0.10 -0.02 0.02 -0.15 -0.03 -0.05 0.10 0.08 -0.04 0.25 -0.20 -0.12 0.16 0.04 -0.02 0.04 -0.01 0.05 0.23 0.15 0.03 0.40 -0.29 0.10 0.35 0.12 0.02 0.23 -0.05 0.01 -0.02 -0.05 0.06 0.02 -0.04 -0.04 -0.00 0.04 0.05 0.02 -0.10 0.10 0.05 0.05 -0.05 -0.00 -0.09 -0.07 0.02 0.10 -0.00 -0.01 0.05 0.09 0.05 0.07 -0.10 0.00 0.17 -0.01 -0.02 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.02 -0.01 0.01 0.02 0.00 0.02 0.01 0.01 0.00 0.00 -0.00 -0.02 0.01 -0.03 -0.02 0.02 -0.01 0.01 0.02 0.00 0.03 0.01 0.03 -0.00 -0.00 0.00 -0.02 -0.00 -0.00 -0.02 0.02 0.05 0.03 -0.08 -0.13 -0.34 0.14 0.49 0.07 0.01 -0.18 0.43 0.01 -0.04 0.01 -0.04 0.11 -0.27 0.03 -0.39 0.03 0.03 0.13 0.31 -0.02 0.00 0.01 -0.02 -0.00 0.01 -0.03 0.00 0.02 -0.00 -0.00 -0.02 -0.03 -0.00 0.03 -0.01 0.00 -0.00 -0.04 0.00 0.04 0.01 -0.00 -0.03 0.00 -0.01 -0.02 -0.01 0.00 -0.00 0.03 -0.00 -0.06 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.02 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.02 0.04 0.02 -0.07 -0.09 -0.27 0.13 0.37 0.04 0.01 -0.13 0.31 -0.01 0.06 -0.01 0.08 -0.14 0.37 -0.07 0.52 -0.02 -0.03 -0.16 -0.41 0.00 -0.01 -0.00 0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.02 -0.01 -0.02 0.02 -0.01 -0.02 -0.02 -0.01 0.02 -0.02 -0.01 0.02 -0.00 -0.01 0.00 0.03 -0.01 -0.03 -0.03 -0.01 0.04 -0.00 -0.01 0.01 0.06 -0.02 -0.13 0.07 0.01 -0.13 -0.01 0.06 -0.05 -0.11 0.04 0.10 -0.11 -0.02 0.10 -0.02 -0.06 -0.06 0.04 -0.01 0.10 -0.01 0.12 -0.04 -0.17 0.07 0.22 -0.18 -0.04 0.22 -0.03 -0.11 -0.05 0.07 0.01 -0.05 0.07 -0.02 -0.05 0.04 -0.08 -0.09 0.07 -0.10 -0.08 0.05 -0.14 -0.10 -0.04 -0.06 -0.11 0.05 0.07 -0.08 0.09 0.09 -0.08 0.07 0.12 -0.10 -0.03 0.07 -0.11 -0.02 -0.00 0.21 -0.06 -0.07 0.18 -0.05 0.08 0.18 -0.03 -0.08 -0.02 -0.08 -0.13 0.24 -0.01 0.08 -0.01 -0.05 0.14 0.24 0.03 -0.00 -0.15 -0.03 -0.15 -0.08 -0.00 0.15 -0.08 0.09 -0.00 -0.33 -0.02 0.04 0.08 0.02 0.04 -0.08 -0.02 0.05 0.13 -0.02 0.05 0.14 0.03 0.05 -0.14 0.03 0.05 -0.13 -0.00 -0.00 0.00 -0.04 0.05 0.22 -0.05 0.05 0.28 0.06 0.05 -0.28 0.05 0.05 -0.22 0.05 0.04 -0.35 -0.04 0.04 0.35 0.06 0.04 -0.00 0.17 0.01 0.09 -0.17 0.12 0.11 0.20 -0.00 0.07 -0.05 0.05 0.01 -0.16 0.05 -0.10 0.19 0.08 -0.11 -0.19 0.04 -0.06 -0.00 -0.04 -0.00 -0.03 -0.07 0.00 0.01 -0.08 -0.01 -0.04 -0.08 0.02 -0.03 -0.09 0.01 0.02 -0.09 -0.03 0.01 -0.09 -0.02 -0.01 -0.10 -0.00 -0.06 -0.07 0.06 0.04 -0.08 -0.06 -0.01 -0.10 -0.00 -0.05 0.01 -0.15 -0.05 0.00 -0.15 0.01 -0.06 -0.10 0.05 -0.03 0.10 0.05 0.02 0.10 0.02 0.06 -0.10 -0.08 0.01 0.18 -0.00 -0.15 -0.09 0.06 -0.06 0.26 0.07 0.04 0.26 0.03 0.14 -0.09 -0.08 0.02 0.03 -0.09 -0.00 0.03 -0.11 -0.03 0.00 -0.13 -0.10 -0.11 -0.06 0.05 -0.01 -0.18 -0.08 0.09 -0.11 0.05 0.00 -0.10 0.12 -0.10 -0.07 -0.03 -0.01 -0.16 0.10 0.08 0.12 -0.01 0.05 0.17 -0.07 -0.05 0.18 0.04 -0.05 0.04 -0.06 -0.02 0.26 -0.14 -0.11 0.05 0.05 -0.01 0.29 0.09 -0.10 -0.09 0.01 0.09 0.04 -0.11 -0.06 0.06 0.10 -0.05 -0.24 0.02 0.18 -0.02 -0.06 0.03 0.01 -0.06 -0.03 -0.00 -0.08 0.05 -0.02 -0.09 0.05 -0.00 -0.09 -0.05 -0.02 -0.08 -0.05 0.00 0.01 -0.00 -0.01 -0.09 0.07 -0.04 -0.08 0.09 0.02 -0.09 -0.10 -0.01 -0.09 -0.07 0.02 -0.05 -0.11 -0.03 -0.04 0.11 -0.02 -0.17 0.03 0.06 -0.31 -0.08 -0.08 -0.03 0.08 -0.08 -0.27 0.20 -0.01 -0.16 -0.03 -0.12 -0.28 0.06 0.07 -0.04 -0.08 0.03 -0.26 -0.20 0.01 0.08 -0.00 0.04 0.15 0.01 -0.01 0.16 -0.01 0.07 0.17 -0.02 0.00 0.19 0.03 -0.03 0.18 0.03 0.03 0.18 -0.03 0.02 0.21 0.00 0.08 0.14 -0.06 -0.05 0.15 0.06 0.02 0.21 0.00 -0.07 0.01 -0.03 -0.07 0.01 -0.03 0.01 -0.07 0.01 0.10 -0.04 0.01 0.10 0.01 0.01 0.02 0.06 0.01 0.00 -0.00 -0.00 -0.01 -0.16 0.03 0.14 -0.07 0.02 0.15 0.03 0.02 0.02 0.15 0.03 -0.03 0.04 -0.05 -0.04 -0.03 -0.05 0.03 0.19 -0.02 -0.01 0.37 0.19 -0.04 0.05 -0.02 0.19 0.30 -0.21 -0.01 -0.19 -0.03 -0.08 -0.37 0.18 -0.05 -0.03 -0.02 0.12 -0.33 -0.22 -0.00 -0.00 0.08 -0.02 -0.03 0.08 -0.01 0.03 0.08 -0.02 -0.03 -0.00 0.01 -0.05 0.07 -0.02 0.04 -0.00 0.02 0.05 0.07 -0.00 0.00 -0.05 -0.02 -0.07 -0.04 -0.01 0.07 -0.03 0.02 0.00 -0.12 -0.00 -0.07 0.00 -0.01 -0.07 -0.00 0.00 -0.10 -0.01 -0.01 -0.12 -0.01 -0.02 -0.12 0.01 -0.02 -0.10 0.00 -0.00 -0.04 0.00 0.00 -0.10 -0.01 -0.02 -0.11 -0.01 -0.00 -0.11 0.02 -0.02 -0.10 -0.00 0.01 -0.04 -0.02 -0.02 -0.04 0.02 0.10 0.17 0.00 0.00 0.37 0.16 0.07 0.12 0.01 0.33 0.25 -0.14 -0.06 0.19 0.00 0.07 0.37 -0.15 -0.04 0.13 -0.00 -0.27 0.32 0.15 -0.00 -0.01 -0.00 0.02 0.04 0.01 -0.01 0.04 -0.01 -0.01 0.05 0.04 0.02 0.08 -0.02 0.02 0.05 -0.04 -0.01 0.08 0.02 0.01 0.07 0.00 -0.05 0.04 0.07 0.06 0.02 -0.07 0.01 0.07 0.00 0.05 -0.00 -0.08 0.05 -0.00 -0.08 0.05 0.01 -0.17 -0.02 0.01 0.10 -0.02 -0.00 0.10 0.05 -0.02 -0.17 -0.01 0.00 0.10 0.07 0.04 -0.25 -0.07 0.02 0.27 -0.07 -0.01 0.27 0.06 -0.04 -0.25 0.02 -0.01 0.18 0.03 0.00 0.18 0.07 0.09 0.01 -0.04 0.20 0.03 0.17 0.03 -0.05 0.11 0.15 -0.09 0.05 -0.11 0.01 -0.08 -0.19 0.02 0.17 -0.07 -0.05 0.08 -0.17 -0.10 -0.12 0.01 -0.09 -0.10 0.08 -0.07 -0.11 -0.06 -0.08 -0.01 0.08 -0.01 -0.15 0.16 -0.08 -0.03 -0.08 -0.01 -0.18 -0.13 -0.08 0.02 -0.00 0.02 0.02 0.16 0.03 -0.01 -0.16 0.03 0.08 -0.01 0.07 -0.01 -0.00 0.03 -0.01 -0.00 0.03 0.01 -0.01 -0.04 -0.00 -0.01 0.01 -0.00 -0.01 0.02 0.00 -0.00 -0.04 0.01 -0.01 -0.04 0.02 -0.01 -0.10 -0.00 -0.01 0.02 0.00 -0.01 0.02 0.02 -0.00 -0.10 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.03 -0.01 -0.00 0.06 0.03 -0.01 -0.01 -0.01 0.01 0.05 -0.05 -0.01 0.04 0.01 0.02 0.08 -0.02 -0.01 0.02 0.01 -0.05 0.06 0.04 0.03 -0.02 -0.02 -0.14 -0.00 0.18 0.16 -0.01 -0.16 0.12 -0.03 -0.14 -0.31 0.02 0.36 -0.14 0.01 0.16 0.29 -0.00 -0.28 0.01 -0.00 -0.02 0.24 -0.06 -0.29 -0.31 0.02 0.36 0.01 -0.00 -0.04 0.05 -0.00 -0.15 0.05 -0.01 -0.15 -0.03 0.01 0.16 0.01 0.00 -0.07 0.00 -0.01 -0.07 -0.03 -0.01 0.16 -0.05 0.00 0.20 -0.09 0.02 0.48 0.00 0.01 -0.09 0.00 -0.01 -0.09 -0.10 -0.02 0.47 0.03 -0.01 -0.02 0.03 0.01 -0.02 0.05 0.02 -0.01 0.01 0.07 -0.01 0.07 0.06 -0.01 0.11 0.02 -0.01 0.04 -0.02 -0.01 -0.00 -0.03 -0.03 0.05 -0.07 -0.00 0.09 -0.01 0.02 -0.14 0.01 0.08 -0.06 0.03 -0.01 0.01 -0.03 -0.10 0.07 0.03 -0.09 -0.03 0.06 -0.08 -0.00 -0.04 -0.01 0.11 -0.06 -0.24 -0.05 0.00 0.08 0.22 0.05 -0.22 0.06 -0.09 -0.06 -0.07 0.00 0.16 0.01 0.01 0.16 0.01 -0.02 0.16 0.03 0.01 -0.08 -0.03 0.00 0.03 -0.03 0.00 0.03 0.03 -0.02 -0.08 -0.04 0.00 0.01 0.09 0.06 -0.34 -0.03 0.01 -0.01 -0.03 -0.00 -0.01 0.08 -0.07 -0.34 0.00 -0.03 -0.10 0.01 0.03 -0.10 0.03 0.00 -0.00 0.04 0.03 0.04 -0.04 0.03 0.03 0.11 0.00 -0.00 0.03 -0.01 -0.00 0.03 -0.04 0.05 -0.05 -0.02 0.03 0.11 -0.03 -0.00 -0.17 0.01 0.20 0.01 0.01 -0.01 0.01 -0.01 -0.01 0.06 0.00 -0.09 0.19 -0.02 -0.19 0.06 -0.01 -0.08 0.19 -0.02 -0.20 -0.10 0.01 0.12 0.25 -0.01 -0.30 0.24 -0.03 -0.29 -0.12 0.01 0.16 0.00 -0.03 0.12 0.01 0.03 0.12 0.05 0.04 -0.01 0.02 0.03 0.02 0.01 -0.04 0.01 0.03 -0.06 -0.01 -0.10 0.01 0.47 0.10 0.05 -0.22 -0.01 0.06 -0.07 -0.02 -0.06 -0.07 0.08 -0.07 -0.23 0.01 0.04 -0.20 0.01 -0.03 -0.20 -0.02 0.03 -0.02 0.03 0.01 0.02 -0.12 0.07 0.03 0.05 0.00 0.01 -0.01 -0.02 -0.02 0.03 -0.02 0.02 -0.11 -0.04 0.03 0.06 -0.01 0.01 0.07 -0.00 -0.15 -0.02 0.00 -0.08 -0.02 0.01 -0.07 -0.04 0.02 0.07 -0.21 0.06 0.10 -0.04 -0.02 0.07 -0.22 -0.02 0.10 0.09 -0.01 -0.08 -0.20 0.08 0.29 -0.21 -0.04 0.29 0.04 -0.01 -0.01 0.01 0.08 -0.01 0.00 0.08 0.01 0.16 -0.10 0.04 -0.01 -0.21 -0.01 -0.03 -0.20 0.01 -0.18 -0.06 -0.04 0.01 0.09 -0.01 0.15 -0.12 0.05 -0.13 -0.12 -0.05 0.11 -0.14 0.05 -0.18 -0.08 -0.05 -0.10 0.13 -0.05 0.13 0.11 0.06 -0.25 0.09 -0.00 -0.16 0.01 0.00 -0.28 0.05 0.00 -0.33 0.09 0.01 0.26 0.04 0.00 0.15 -0.02 -0.01 0.29 -0.01 -0.00 0.33 0.02 -0.00 0.01 0.07 0.00 -0.03 -0.00 -0.03 0.03 -0.01 0.03 -0.03 -0.02 -0.03 0.01 -0.07 -0.02 0.03 -0.02 0.02 -0.01 -0.07 0.02 -0.01 -0.08 0.00 0.00 0.03 -0.01 0.01 0.03 -0.00 -0.01 -0.08 -0.00 -0.11 0.14 0.03 -0.13 -0.11 0.02 -0.18 -0.20 -0.05 -0.09 -0.17 -0.00 -0.05 0.18 -0.01 -0.14 0.23 -0.03 0.04 -0.00 0.11 -0.17 -0.22 -0.12 0.11 -0.31 0.03 0.18 0.28 -0.00 -0.12 0.25 -0.10 0.07 -0.09 -0.01 0.09 0.07 -0.01 0.17 -0.08 -0.00 0.15 -0.07 -0.00 0.15 -0.07 0.00 0.17 -0.09 -0.00 0.18 0.05 -0.00 0.16 0.04 -0.00 0.16 0.04 0.01 0.19 0.05 0.00 0.01 0.00 -0.03 -0.00 -0.02 -0.02 -0.00 0.02 -0.02 0.00 -0.01 0.02 -0.05 0.00 0.01 0.00 0.01 0.02 -0.05 0.00 0.01 0.02 -0.00 -0.01 -0.03 0.00 0.07 -0.03 0.00 0.07 -0.01 0.00 -0.01 0.02 0.00 -0.15 -0.03 -0.00 0.15 -0.04 0.00 0.16 0.05 0.01 -0.27 -0.05 0.02 0.27 0.03 0.01 -0.16 -0.00 -0.01 0.00 -0.04 0.01 0.15 0.12 0.00 -0.56 -0.11 0.02 0.57 0.03 0.02 -0.16 0.01 -0.01 -0.09 -0.01 -0.00 0.09 0.02 -0.01 -0.01 0.05 -0.03 0.01 -0.04 0.01 0.02 0.03 -0.03 0.02 -0.01 -0.01 0.01 -0.04 -0.01 -0.01 0.05 0.00 -0.02 -0.03 -0.02 -0.02 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.04 -0.05 0.01 -0.05 -0.04 -0.01 -0.10 0.04 -0.03 0.00 0.12 0.01 0.02 0.12 -0.01 0.11 0.02 0.03 -0.02 -0.18 -0.00 -0.10 0.04 -0.03 0.09 0.05 0.05 -0.08 0.07 -0.04 0.11 0.02 0.03 -0.15 -0.07 -0.06 0.13 -0.10 0.05 -0.23 0.09 0.00 -0.29 0.15 0.03 -0.23 0.14 0.01 -0.08 0.09 -0.01 0.25 0.04 0.00 0.32 0.09 -0.02 0.25 0.09 -0.01 0.10 0.07 0.01 -0.02 -0.19 -0.00 0.11 -0.03 0.09 -0.12 -0.01 -0.09 0.09 0.00 0.09 0.06 0.11 0.05 -0.09 0.02 -0.09 -0.03 0.12 -0.04 0.02 0.19 0.00 0.00 -0.15 0.03 -0.04 -0.15 -0.03 0.02 0.19 0.00 0.05 0.04 0.00 0.05 -0.05 0.00 0.01 -0.02 0.00 -0.04 -0.03 -0.01 -0.03 0.04 -0.01 0.01 0.01 0.00 -0.07 0.01 0.03 0.01 0.06 0.02 -0.03 -0.04 0.00 -0.02 0.04 0.00 0.00 -0.06 0.02 -0.02 -0.05 -0.01 -0.01 0.06 -0.01 0.01 0.00 0.00 -0.05 0.06 0.01 0.02 0.05 0.01 0.10 0.00 -0.00 0.01 -0.00 0.00 -0.06 -0.05 0.01 0.00 -0.05 0.01 0.10 -0.02 -0.00 0.11 -0.01 0.10 0.21 0.19 0.11 0.17 -0.23 0.10 -0.17 0.25 -0.11 0.21 0.02 0.21 -0.21 -0.20 -0.12 0.21 -0.07 0.21 -0.06 0.01 -0.14 -0.33 0.11 -0.08 -0.34 -0.04 -0.08 0.18 -0.02 0.18 0.19 0.09 0.00 0.16 -0.12 -0.00 0.06 -0.02 0.01 -0.11 -0.06 -0.03 -0.10 0.09 -0.03 0.06 0.01 0.01 -0.17 0.02 -0.05 0.07 0.24 0.10 -0.10 -0.08 0.03 -0.09 0.09 0.03 0.02 -0.25 0.09 -0.09 -0.16 -0.01 -0.06 0.18 -0.00 -0.03 0.05 -0.00 -0.22 0.25 0.05 -0.00 0.17 0.01 0.27 0.06 -0.03 -0.04 -0.04 -0.00 -0.26 -0.20 0.04 -0.03 -0.16 0.01 0.25 -0.11 -0.03 -0.01 0.00 -0.01 0.03 -0.07 -0.03 0.05 0.07 -0.03 0.00 -0.10 0.09 0.03 -0.06 -0.03 0.02 0.09 0.09 0.04 0.06 -0.03 0.06 -0.01 -0.04 -0.06 -0.10 0.15 -0.04 0.10 0.15 -0.03 0.01 -0.16 0.02 0.01 0.00 0.02 -0.02 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.01 0.02 -0.00 0.01 0.00 0.00 -0.01 0.00 -0.00 0.01 0.03 0.01 -0.01 -0.02 0.00 -0.01 0.02 0.00 0.01 -0.03 0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 -0.03 0.04 0.01 -0.01 0.01 -0.00 0.02 0.01 -0.01 -0.01 -0.01 -0.00 -0.03 -0.03 0.01 -0.01 -0.01 -0.00 0.02 -0.01 -0.01 0.06 -0.00 -0.06 -0.03 0.00 0.06 -0.03 0.00 0.06 0.08 -0.01 -0.10 -0.30 0.03 0.34 0.09 0.00 -0.10 -0.29 0.02 0.34 -0.04 0.00 0.04 -0.11 -0.01 0.10 -0.10 0.03 0.10 -0.46 0.04 0.52 -0.04 0.12 -0.02 0.07 0.11 0.02 0.24 0.04 0.04 0.01 -0.07 0.01 -0.02 -0.07 -0.01 -0.23 0.09 -0.04 -0.00 -0.03 -0.00 0.25 0.09 0.03 -0.16 0.06 -0.03 0.17 0.02 0.03 -0.23 0.14 -0.02 0.05 0.05 0.03 -0.04 0.06 -0.03 0.11 -0.04 0.00 0.16 -0.10 -0.02 0.11 -0.09 -0.01 0.00 -0.04 -0.00 -0.11 -0.02 -0.00 -0.17 -0.07 0.02 -0.13 -0.06 0.01 -0.01 -0.04 -0.00 -0.01 -0.16 -0.00 0.14 -0.08 0.12 -0.15 -0.05 -0.12 0.13 -0.08 0.12 0.10 0.06 0.07 -0.14 -0.05 -0.13 -0.10 0.08 -0.05 0.02 0.20 0.00 0.01 -0.30 0.03 -0.07 -0.29 -0.03 0.01 0.19 0.02 -0.03 -0.01 -0.01 -0.02 0.02 -0.01 -0.01 0.01 -0.00 0.02 0.03 0.01 0.02 -0.03 0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.05 -0.01 -0.03 -0.01 0.01 0.04 -0.01 0.00 -0.04 -0.01 -0.01 0.04 -0.00 0.01 0.01 0.01 0.00 -0.01 0.01 0.02 -0.01 0.00 0.03 -0.02 -0.00 0.01 -0.02 -0.00 -0.00 -0.01 -0.00 0.02 0.00 0.00 0.04 0.01 -0.00 0.02 0.02 -0.00 -0.00 0.01 -0.00 -0.14 0.01 0.16 0.06 -0.01 -0.09 0.06 0.00 -0.09 -0.01 -0.01 0.03 -0.05 -0.00 0.02 -0.01 0.01 0.03 -0.04 0.01 0.02 0.11 -0.01 -0.12 -0.30 0.03 0.37 -0.30 0.02 0.37 -0.44 0.04 0.49 -0.01 -0.00 0.05 -0.01 0.00 0.05 0.01 0.00 -0.05 0.01 0.00 -0.06 0.01 -0.00 -0.06 0.01 -0.00 -0.05 0.01 -0.00 0.01 -0.09 0.00 0.40 -0.11 0.01 0.56 -0.11 0.00 0.56 -0.09 0.01 0.39 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.06 -0.00 -0.34 -0.06 -0.00 0.34 0.02 0.00 -0.08 -0.03 0.01 0.14 0.03 0.01 -0.14 -0.02 0.01 0.08 -0.00 -0.00 0.00 0.13 0.03 -0.56 0.00 0.01 -0.00 -0.01 0.01 0.03 -0.13 0.03 0.58 0.00 -0.01 -0.07 -0.00 -0.01 0.07 0.01 -0.00 -0.01 0.05 -0.02 0.01 -0.05 -0.01 0.02 0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.05 -0.01 -0.01 0.04 -0.01 -0.02 -0.02 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.02 0.00 0.00 0.02 -0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 0.03 0.01 0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.02 0.01 -0.00 -0.00 -0.02 -0.00 0.02 0.02 0.02 -0.01 0.02 0.00 0.02 0.01 -0.00 -0.02 0.03 -0.02 -0.01 -0.02 0.00 0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.02 0.03 0.01 0.00 0.00 -0.00 0.03 0.00 -0.00 0.00 0.00 0.00 0.02 0.02 -0.01 0.00 0.00 0.00 -0.02 0.01 0.00 -0.00 -0.01 0.00 0.05 0.00 -0.07 -0.05 0.01 0.07 0.03 0.00 -0.05 -0.41 0.05 0.41 -0.03 0.01 0.05 0.41 -0.02 -0.40 -0.00 -0.02 0.00 -0.25 0.05 0.29 0.26 0.00 -0.29 0.00 -0.02 -0.01 -0.01 0.00 -0.06 0.02 -0.00 0.06 0.11 0.02 -0.08 0.02 0.02 -0.03 -0.01 0.04 0.03 -0.10 0.05 0.09 -0.00 -0.05 -0.00 -0.03 0.08 0.60 -0.08 0.06 0.21 0.10 0.06 -0.22 0.05 0.09 -0.59 -0.02 -0.06 -0.02 0.01 -0.07 0.02 -0.01 -0.01 -0.00 -0.07 0.06 0.02 0.00 0.05 0.01 0.10 -0.01 -0.01 -0.00 -0.02 0.00 0.09 0.05 -0.02 0.00 0.05 -0.00 -0.12 0.01 0.01 -0.00 -0.02 0.00 -0.04 0.02 -0.01 0.04 0.01 0.01 -0.03 0.03 -0.02 0.04 0.01 -0.10 0.04 0.02 0.02 -0.03 0.02 0.09 -0.00 -0.02 -0.00 0.04 0.07 -0.06 -0.03 0.07 0.06 -0.01 -0.01 0.01 0.07 -0.01 0.01 0.07 -0.01 0.00 0.07 -0.07 0.03 -0.12 -0.18 -0.02 -0.08 0.19 -0.02 0.09 0.05 0.02 0.14 -0.01 0.02 0.09 0.11 -0.01 0.01 -0.26 -0.01 0.06 0.25 0.02 0.06 -0.13 0.04 0.06 0.12 -0.01 0.03 -0.12 -0.01 -0.11 0.07 0.01 0.04 -0.09 -0.04 -0.12 -0.04 -0.01 -0.33 0.06 0.02 -0.12 -0.04 0.01 0.05 0.08 -0.03 -0.11 0.06 -0.01 -0.33 0.00 0.02 -0.01 0.00 0.02 -0.05 0.01 0.00 -0.05 0.00 0.00 -0.01 0.02 0.00 0.17 -0.01 -0.23 -0.02 -0.02 0.00 0.18 -0.01 -0.25 0.06 -0.00 -0.05 0.03 0.06 -0.00 0.03 -0.07 -0.02 -0.19 0.01 0.31 -0.05 0.01 0.06 0.05 -0.00 -0.06 0.12 0.05 0.11 0.02 0.04 0.03 -0.01 0.04 -0.03 -0.10 0.07 -0.11 -0.01 -0.09 -0.00 0.25 0.13 -0.44 -0.02 0.10 -0.20 0.04 0.08 0.21 -0.22 0.17 0.45 -0.05 -0.10 0.01 0.03 -0.10 -0.01 -0.01 -0.02 -0.00 -0.13 0.11 0.02 0.02 0.08 0.00 0.18 -0.00 -0.03 0.01 -0.02 0.00 0.15 0.08 -0.02 -0.00 0.08 0.00 -0.18 0.03 0.03 -0.00 -0.03 -0.00 -0.05 0.03 -0.02 0.06 0.02 0.03 -0.05 0.05 -0.03 0.03 0.02 -0.12 0.06 0.04 0.03 -0.02 0.03 0.12 -0.00 -0.03 -0.00 0.05 0.12 -0.07 -0.03 0.12 0.08 -0.00 -0.03 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.02 0.01 -0.00 0.02 0.04 0.00 0.02 -0.04 0.00 -0.02 -0.01 -0.00 -0.03 0.00 0.01 -0.02 -0.02 -0.01 -0.00 0.06 0.00 -0.01 -0.06 0.00 -0.01 0.03 -0.01 -0.01 -0.03 0.00 -0.01 0.03 0.00 0.02 -0.02 0.00 -0.02 0.02 0.00 0.03 0.02 0.00 0.08 -0.02 -0.01 0.02 0.01 0.00 -0.02 -0.01 0.00 0.03 -0.03 0.00 0.08 -0.00 -0.01 0.05 -0.00 -0.07 -0.06 0.00 0.08 -0.06 0.01 0.08 -0.01 0.00 0.01 0.36 -0.05 -0.37 -0.01 -0.00 0.01 0.38 -0.02 -0.37 0.07 -0.01 -0.08 0.08 -0.01 -0.09 0.09 -0.01 -0.10 -0.37 0.03 0.45 -0.01 -0.00 0.03 -0.01 0.00 0.03 0.02 -0.00 -0.10 -0.02 0.00 0.07 -0.02 0.00 0.07 0.02 0.00 -0.10 0.00 -0.00 0.00 -0.11 -0.00 0.53 0.08 0.00 -0.43 0.08 -0.01 -0.42 -0.11 0.01 0.54 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.03 -0.02 0.00 0.10 0.02 0.00 -0.10 -0.01 -0.00 0.03 0.00 0.00 0.00 -0.06 -0.01 0.26 0.13 0.00 -0.63 -0.13 0.01 0.63 0.05 -0.02 -0.26 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.06 -0.01 0.04 0.05 -0.02 -0.04 0.07 -0.01 -0.07 0.26 -0.05 -0.29 -0.07 0.01 0.07 -0.26 -0.00 0.28 0.00 0.02 0.00 -0.38 0.04 0.45 0.37 -0.02 -0.43 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.00 0.03 -0.04 0.01 0.03 0.05 0.00 -0.06 0.23 -0.04 -0.23 0.06 -0.01 -0.06 0.24 0.01 -0.24 -0.04 -0.00 0.04 -0.35 0.06 0.42 -0.37 -0.00 0.44 0.23 -0.02 -0.26 0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.01 -0.05 -0.00 -0.02 -0.06 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.06 0.00 0.02 0.04 0.00 -0.01 0.04 -0.00 0.00 0.02 0.01 0.11 -0.09 -0.03 0.00 -0.07 -0.01 -0.13 0.02 0.01 -0.00 0.03 -0.00 -0.12 -0.07 0.03 -0.01 -0.07 0.01 0.13 -0.01 -0.01 -0.01 -0.12 -0.00 -0.24 -0.09 -0.22 0.21 -0.14 0.22 0.03 -0.02 0.05 -0.36 0.14 -0.26 -0.03 -0.01 -0.05 0.40 0.06 0.24 0.03 0.29 0.01 0.10 0.03 -0.00 -0.11 0.04 0.03 0.04 0.30 -0.01 0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.08 -0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.02 -0.01 0.01 0.03 0.00 -0.00 0.03 -0.00 0.02 0.03 0.00 0.13 -0.10 -0.04 0.01 -0.09 -0.01 -0.16 0.02 0.02 -0.01 0.03 -0.00 -0.15 -0.07 0.03 -0.02 -0.09 0.01 0.16 -0.01 -0.02 -0.01 -0.11 -0.00 0.04 -0.04 0.03 -0.04 -0.03 -0.03 -0.17 0.07 -0.15 0.08 -0.28 0.12 0.18 0.03 0.16 -0.14 -0.25 -0.13 0.01 0.13 0.00 -0.35 -0.21 -0.27 0.30 -0.29 0.27 0.02 0.15 0.00 0.10 0.09 0.02 0.08 -0.11 0.01 -0.17 -0.01 -0.04 0.08 0.10 0.02 0.05 -0.11 0.01 -0.18 0.04 -0.04 0.27 -0.03 0.05 -0.18 -0.03 -0.04 0.17 0.04 0.02 0.14 -0.07 0.02 -0.18 0.02 -0.04 0.11 -0.12 -0.02 0.13 0.10 -0.02 -0.20 0.03 0.01 -0.36 0.18 0.03 -0.09 0.15 -0.01 0.01 0.06 -0.04 -0.20 0.01 0.01 -0.39 -0.11 0.03 -0.12 -0.13 -0.01 -0.00 -0.06 -0.04 0.03 -0.00 0.05 -0.03 -0.02 -0.04 -0.02 0.03 -0.04 -0.02 0.03 -0.01 -0.05 -0.10 0.04 -0.03 -0.03 -0.01 -0.03 0.10 0.04 0.03 -0.00 0.02 0.05 0.12 -0.01 0.03 -0.13 -0.01 0.15 -0.02 0.14 -0.01 0.02 -0.00 0.01 0.01 0.00 -0.08 0.10 -0.02 -0.12 -0.12 -0.02 0.10 -0.14 0.02 0.09 0.09 0.02 0.00 -0.02 0.00 -0.04 0.61 0.01 -0.26 -0.03 -0.06 0.26 -0.08 0.07 0.15 0.58 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.04 0.02 0.01 0.00 0.03 0.00 0.04 -0.01 0.00 -0.00 -0.01 0.00 0.03 0.01 -0.01 0.00 0.02 -0.00 -0.04 -0.01 -0.01 -0.00 -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.02 -0.01 0.00 0.01 0.00 0.01 0.02 0.02 -0.00 -0.01 0.00 0.01 0.03 0.01 -0.00 0.03 -0.01 0.00 -0.01 0.00 -0.03 -0.02 -0.01 0.02 -0.03 0.01 0.01 -0.00 0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.14 0.00 0.02 0.08 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 0.08 0.01 -0.00 -0.04 -0.00 -0.00 -0.04 -0.00 -0.03 -0.05 -0.01 -0.23 0.19 0.08 -0.02 0.17 0.02 0.29 -0.04 -0.03 0.02 -0.05 0.01 0.26 0.14 -0.07 0.05 0.16 -0.02 -0.29 0.02 0.03 0.02 0.19 0.00 -0.01 -0.05 -0.01 -0.00 -0.06 0.01 -0.01 -0.06 -0.00 0.02 -0.29 0.12 0.00 -0.06 -0.00 -0.07 -0.28 -0.13 0.02 0.15 0.00 -0.13 -0.30 -0.12 0.07 -0.33 0.11 0.02 0.16 0.00 -0.06 -0.03 -0.01 -0.05 0.04 -0.01 0.07 -0.02 0.02 -0.04 -0.01 -0.01 -0.03 0.01 -0.01 0.08 0.01 0.02 0.06 -0.01 0.00 0.07 -0.14 0.01 -0.17 0.09 -0.03 -0.19 -0.06 -0.03 0.10 0.12 0.01 -0.03 -0.01 0.01 -0.03 0.02 0.01 0.00 -0.05 -0.02 -0.09 0.10 0.06 -0.03 0.11 0.03 0.23 -0.05 -0.01 0.01 0.05 -0.02 -0.11 -0.08 0.06 -0.06 -0.10 0.02 0.24 0.01 -0.01 0.05 -0.01 0.04 -0.04 -0.07 -0.03 -0.03 0.08 -0.03 -0.04 0.03 -0.03 -0.00 -0.32 0.07 -0.05 -0.02 -0.04 0.06 0.31 0.09 0.07 -0.01 0.06 0.03 0.15 -0.01 0.00 -0.15 -0.01 0.45 -0.05 0.39 0.05 0.02 0.01 0.04 -0.03 0.01 -0.07 0.04 -0.02 0.04 -0.01 0.01 0.04 0.00 0.01 -0.08 -0.03 -0.02 -0.11 0.01 -0.02 -0.05 0.29 0.00 0.26 -0.17 0.05 0.28 0.11 0.05 -0.11 -0.28 -0.01 -0.02 0.02 0.00 -0.02 -0.02 0.00 0.04 0.04 -0.00 0.19 -0.11 -0.04 -0.04 -0.11 0.00 -0.18 0.01 0.05 0.03 -0.05 -0.00 0.20 0.07 -0.04 -0.01 0.11 0.00 -0.18 0.03 0.05 0.02 -0.00 0.01 -0.02 -0.05 -0.01 -0.01 0.05 -0.01 -0.03 0.01 -0.02 0.03 -0.25 0.06 -0.03 -0.00 -0.03 0.08 0.24 0.07 0.05 -0.01 0.05 -0.01 0.05 -0.02 -0.02 -0.04 -0.02 0.37 -0.04 0.32 0.02 0.04 0.00 0.01 -0.03 0.00 0.01 -0.04 0.00 -0.02 0.04 -0.00 -0.02 -0.04 -0.01 0.03 0.04 0.01 -0.05 0.00 -0.01 -0.00 -0.28 -0.01 -0.21 0.18 -0.04 -0.23 -0.13 -0.04 0.06 0.24 0.00 0.01 -0.01 -0.03 0.02 0.01 -0.04 0.01 0.04 0.06 -0.02 -0.08 -0.14 0.22 -0.18 -0.08 -0.26 0.11 -0.06 -0.00 -0.05 0.09 -0.09 0.10 -0.21 0.41 0.17 -0.12 -0.39 -0.09 -0.12 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.07 0.02 -0.01 0.00 -0.01 0.03 0.07 0.03 0.01 -0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 0.12 -0.01 0.10 -0.02 -0.02 -0.00 0.02 -0.04 0.00 0.01 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.00 0.02 0.04 -0.00 -0.02 0.03 -0.00 -0.05 -0.02 -0.01 0.00 0.12 0.00 0.04 -0.01 -0.05 -0.03 -0.00 0.04 -0.01 0.02 0.11 -0.29 0.01 -0.23 0.50 -0.21 -0.15 -0.30 0.20 -0.19 0.02 0.00 -0.08 0.25 -0.02 0.16 -0.39 -0.06 0.11 0.22 0.10 0.15 0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.03 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.00 -0.01 -0.00 0.02 -0.00 0.02 -0.03 -0.05 -0.00 -0.03 0.05 -0.00 -0.00 0.04 -0.00 0.01 -0.04 0.00 0.02 0.04 0.00 -0.01 -0.04 -0.00 0.02 -0.00 -0.00 0.02 0.24 -0.00 0.18 -0.17 0.03 0.21 0.13 0.04 -0.03 -0.24 -0.01 -0.01 0.01 -0.03 -0.01 -0.01 -0.03 -0.00 -0.06 0.07 -0.35 0.13 -0.09 0.39 -0.00 -0.09 0.08 0.09 -0.18 0.01 0.05 0.07 -0.37 -0.05 -0.11 0.40 -0.07 -0.10 0.04 -0.10 -0.18 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.07 -0.08 -0.01 0.05 -0.10 0.00 0.04 -0.00 0.01 0.03 0.02 0.01 -0.03 0.03 -0.01 -0.04 0.01 -0.01 0.00 0.01 0.00 0.08 0.39 0.02 0.29 -0.16 0.05 -0.33 -0.10 -0.06 0.00 0.41 -0.01 0.04 -0.03 0.01 -0.04 -0.02 -0.01 -0.01 0.07 -0.02 0.21 -0.11 -0.00 -0.21 -0.09 0.03 -0.25 -0.00 0.11 0.03 0.07 0.03 -0.24 -0.07 -0.01 0.20 -0.12 -0.04 0.24 -0.06 -0.12 0.00 0.05 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.02 -0.06 0.02 -0.01 -0.01 -0.01 -0.03 -0.06 -0.02 0.00 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.02 0.01 0.02 -0.02 0.03 0.01 0.03 -0.01 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 0.02 -0.02 -0.02 0.01 0.03 -0.00 -0.00 -0.03 0.00 -0.02 0.01 0.02 0.01 0.01 -0.02 0.01 -0.01 -0.04 -0.01 -0.04 0.24 -0.09 -0.00 0.04 -0.01 -0.08 -0.23 -0.10 0.03 -0.00 0.03 -0.25 -0.45 -0.15 -0.16 0.49 -0.14 0.40 -0.05 0.33 -0.03 -0.05 -0.00 0.02 -0.06 0.00 0.01 -0.01 0.00 -0.05 0.04 -0.01 0.06 0.03 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.14 -0.00 -0.50 0.37 -0.10 0.57 0.26 0.11 -0.03 -0.14 -0.00 0.03 -0.03 0.00 -0.03 -0.02 -0.01 -0.01 0.05 -0.01 0.12 -0.07 -0.02 -0.10 -0.07 0.01 -0.16 0.01 0.06 0.02 0.04 0.01 -0.13 -0.05 0.01 0.09 -0.09 -0.02 0.16 -0.02 -0.06 0.00 0.04 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.02 -0.05 0.02 -0.01 -0.01 -0.01 -0.03 -0.04 -0.02 0.00 0.00 0.00 0.01 -0.02 0.01 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.01 -0.02 0.00 0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.00 0.01 0.03 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 0.03 0.00 0.02 0.01 0.00 -0.02 0.01 -0.00 -0.02 -0.00 -0.00 -0.01 0.01 0.02 -0.01 0.03 0.01 0.02 -0.00 -0.00 0.02 -0.01 0.00 0.01 0.00 -0.02 0.02 0.03 -0.00 -0.02 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.06 -0.00 0.01 0.06 0.01 -0.02 -0.04 -0.01 -0.10 0.47 -0.17 0.01 -0.04 0.01 0.19 0.44 0.18 -0.00 -0.03 -0.00 -0.23 -0.40 -0.14 0.14 -0.44 0.13 -0.00 -0.03 -0.00 -0.12 -0.04 -0.03 0.10 -0.07 0.03 0.00 -0.06 0.00 -0.03 0.04 -0.01 0.04 0.03 0.01 -0.01 -0.06 -0.00 0.01 0.05 0.00 0.02 0.07 -0.01 -0.02 0.04 0.00 0.02 0.03 -0.00 -0.00 0.02 0.01 0.20 0.09 0.03 -0.18 0.14 -0.02 -0.12 -0.05 -0.02 -0.22 0.18 0.17 -0.03 0.31 0.02 0.24 -0.02 -0.06 0.11 -0.07 0.02 0.26 0.14 -0.17 0.09 0.31 -0.01 -0.26 0.04 0.07 -0.02 -0.18 -0.00 0.02 -0.03 0.02 -0.03 -0.03 -0.02 -0.02 0.04 -0.02 -0.01 0.01 0.01 0.03 0.04 0.02 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.11 0.29 0.07 -0.05 0.31 -0.07 -0.00 -0.00 -0.00 0.10 -0.06 0.02 0.11 0.03 0.03 -0.06 0.01 -0.01 -0.02 -0.00 -0.01 -0.02 0.01 -0.00 -0.06 -0.00 -0.01 -0.12 0.01 -0.03 -0.12 -0.56 -0.02 0.13 -0.12 0.03 0.15 0.09 0.03 -0.00 0.58 -0.00 0.04 0.09 0.01 0.01 -0.09 0.00 -0.03 -0.04 -0.00 -0.08 0.07 0.07 0.06 0.15 -0.00 0.22 -0.00 -0.06 -0.01 0.04 -0.00 -0.08 -0.04 0.06 0.04 -0.15 -0.01 0.21 -0.04 -0.06 -0.02 -0.00 -0.02 0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.09 0.04 0.00 0.00 0.00 0.04 0.09 0.04 0.00 -0.00 0.00 0.01 0.02 0.01 0.00 -0.01 0.00 0.01 -0.00 0.01 0.04 0.02 0.01 0.04 -0.03 0.01 -0.02 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.02 0.01 -0.00 -0.01 0.00 -0.01 -0.02 -0.06 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.07 -0.00 -0.05 0.03 -0.00 -0.06 -0.02 -0.00 0.03 -0.01 0.00 0.01 -0.01 -0.01 0.02 0.01 0.01 -0.00 0.01 -0.03 0.03 0.01 0.00 0.01 0.01 -0.02 0.02 -0.01 0.01 -0.00 -0.01 -0.03 0.20 -0.02 0.16 -0.04 0.01 -0.03 -0.04 -0.00 -0.03 -0.04 -0.05 -0.03 -0.19 0.54 -0.24 -0.03 0.05 -0.03 -0.29 -0.48 -0.25 0.02 -0.00 0.01 0.10 0.21 0.07 0.05 -0.23 0.07 0.05 -0.01 0.04 0.02 0.09 0.01 0.01 -0.10 0.00 -0.03 -0.09 -0.01 0.05 0.01 0.01 0.05 -0.01 0.01 -0.02 0.09 -0.00 -0.06 0.01 -0.02 0.01 0.39 0.00 -0.34 0.30 -0.07 -0.39 -0.21 -0.08 -0.07 -0.37 -0.01 0.02 0.13 0.01 0.01 -0.13 0.00 -0.00 -0.06 -0.00 -0.09 0.10 0.10 0.06 0.20 0.02 0.07 0.00 -0.09 0.01 0.05 -0.00 -0.11 -0.08 0.09 0.02 -0.21 0.01 0.07 -0.02 -0.09 -0.01 -0.00 -0.00 -0.00 0.02 -0.01 -0.01 -0.02 -0.01 -0.00 -0.01 -0.00 0.03 -0.09 0.04 -0.00 0.01 -0.00 0.05 0.09 0.04 0.02 -0.00 0.02 -0.02 -0.04 -0.02 -0.02 0.05 -0.01 -0.06 0.01 -0.05 -0.09 -0.05 -0.01 0.08 -0.06 0.01 0.00 -0.21 0.00 -0.10 0.13 -0.02 0.12 0.11 0.02 -0.05 -0.21 -0.01 0.01 0.05 0.00 0.08 0.47 0.00 -0.03 0.09 -0.00 0.08 0.10 0.01 0.03 0.51 0.01 -0.21 0.14 -0.01 0.24 0.10 0.02 0.14 -0.07 -0.00 -0.09 0.10 -0.02 -0.00 0.07 0.07 -0.13 0.00 -0.10 -0.15 -0.04 -0.00 0.12 0.09 0.02 0.01 0.09 -0.07 0.12 -0.02 0.11 -0.01 -0.05 -0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 0.05 -0.02 0.01 0.00 0.01 0.02 0.03 0.01 -0.00 0.00 -0.00 0.02 0.07 0.02 -0.01 0.06 -0.01 0.01 0.00 0.01 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.02 0.00 0.02 -0.00 0.01 -0.00 -0.07 -0.00 0.06 -0.05 0.01 0.07 0.03 0.01 0.01 0.07 0.00 -0.02 -0.02 -0.00 -0.01 0.02 -0.00 0.01 0.01 0.00 -0.02 0.01 -0.03 -0.02 -0.05 0.00 -0.03 -0.01 0.03 0.01 -0.01 0.00 -0.02 -0.01 -0.03 -0.01 0.06 0.00 -0.03 0.01 0.03 0.08 -0.01 0.06 -0.05 0.16 -0.05 -0.08 -0.14 -0.06 -0.05 -0.06 -0.03 0.10 -0.35 0.11 -0.03 0.07 -0.03 0.17 0.32 0.12 0.17 -0.02 0.14 -0.16 -0.25 -0.10 -0.10 0.28 -0.09 -0.44 0.05 -0.39 -0.08 -0.04 -0.01 -0.07 0.06 -0.01 0.02 -0.00 0.00 0.01 -0.03 0.00 0.02 0.03 0.00 0.02 -0.00 0.00 -0.17 0.02 -0.03 0.03 0.14 0.01 -0.10 0.04 -0.02 -0.10 -0.02 -0.02 -0.00 -0.14 0.01 0.15 -0.06 0.01 0.16 0.02 0.01 -0.13 0.05 -0.00 0.23 -0.18 0.09 0.24 -0.11 -0.17 0.33 -0.04 0.13 -0.14 -0.02 -0.00 0.26 0.13 0.10 0.25 0.07 -0.16 0.33 -0.03 0.13 0.04 -0.00 0.02 0.01 0.03 0.01 0.00 -0.03 0.01 -0.05 -0.08 -0.03 -0.00 0.09 -0.02 -0.03 0.09 -0.03 -0.02 -0.09 -0.02 0.04 -0.00 0.03 0.10 0.19 0.08 0.06 -0.21 0.08 0.07 -0.01 0.05 -0.07 0.10 -0.01 0.09 0.09 0.02 -0.01 -0.07 -0.00 -0.14 0.05 -0.03 0.15 0.02 0.03 -0.01 -0.07 -0.00 -0.00 -0.03 -0.00 -0.01 -0.08 0.00 0.14 -0.16 0.03 -0.17 -0.13 -0.03 -0.00 -0.08 -0.00 -0.00 -0.04 0.00 -0.01 -0.04 -0.00 -0.06 0.05 0.01 0.20 -0.26 -0.10 0.16 -0.26 -0.14 0.39 -0.01 0.09 0.07 0.04 -0.01 -0.25 -0.21 0.09 -0.21 -0.23 0.13 -0.38 0.06 -0.09 0.00 0.02 0.00 -0.01 0.02 -0.01 0.01 0.02 0.01 0.01 -0.01 0.01 0.02 -0.09 0.03 -0.01 -0.00 -0.01 -0.04 -0.08 -0.04 -0.00 -0.01 -0.00 -0.01 -0.05 -0.01 0.00 -0.05 0.00 -0.00 -0.01 -0.00 0.02 -0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.03 -0.00 0.00 -0.01 0.05 0.01 -0.05 0.04 -0.01 -0.03 -0.01 -0.01 -0.02 -0.01 0.00 -0.04 0.02 0.00 -0.04 -0.00 0.00 -0.04 0.02 0.02 0.22 -0.35 -0.20 0.10 -0.10 -0.07 0.44 0.09 -0.12 -0.04 -0.02 0.02 0.24 0.27 -0.19 0.09 0.11 -0.06 0.37 -0.15 -0.09 0.04 -0.00 0.03 -0.03 -0.04 -0.02 -0.02 0.04 -0.02 0.03 0.08 0.02 -0.04 -0.03 -0.02 0.02 -0.09 0.02 -0.04 0.03 -0.02 -0.00 0.00 -0.00 -0.11 -0.19 -0.09 -0.07 0.20 -0.09 -0.13 0.01 -0.11 -0.06 0.06 -0.01 0.07 0.04 0.01 -0.00 0.03 -0.00 -0.09 0.00 -0.02 0.09 -0.01 0.02 0.01 0.03 0.00 0.00 0.03 0.00 -0.03 -0.25 -0.01 0.12 -0.16 0.02 -0.16 -0.13 -0.03 -0.02 -0.26 0.01 0.01 -0.05 -0.00 -0.02 -0.05 0.00 0.05 0.00 -0.01 -0.26 0.26 -0.01 -0.23 -0.07 0.09 -0.32 -0.07 0.12 -0.06 0.01 0.01 0.34 0.24 -0.00 0.23 -0.09 -0.11 0.35 -0.15 -0.13 0.00 -0.01 0.00 0.00 -0.02 0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.06 -0.03 0.01 -0.01 0.01 0.02 0.06 0.03 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.05 -0.01 -0.01 0.01 -0.01 0.02 0.00 0.00 -0.02 0.01 -0.00 -0.00 -0.02 0.00 0.01 0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.02 -0.00 -0.00 -0.01 -0.00 0.01 0.06 -0.01 -0.02 0.03 -0.00 0.03 0.03 0.00 0.00 0.07 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.01 -0.02 0.01 -0.04 0.03 0.25 0.38 0.34 -0.15 -0.19 -0.10 -0.25 0.40 0.01 0.00 0.03 0.02 0.21 -0.29 -0.27 -0.05 0.14 0.05 -0.20 -0.31 0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.02 -0.03 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.02 0.02 0.18 0.25 0.24 -0.13 -0.14 -0.05 -0.18 0.30 -0.01 -0.01 -0.04 -0.03 -0.26 0.36 0.35 0.11 -0.19 -0.04 0.26 0.42 0.03 -0.00 0.03 -0.02 -0.03 -0.01 -0.01 0.03 -0.01 0.02 0.06 0.02 -0.03 0.00 -0.03 0.01 -0.06 0.01 -0.03 0.00 -0.03 -0.01 0.00 -0.00 -0.07 -0.11 -0.06 -0.05 0.13 -0.05 -0.08 0.01 -0.07 -0.02 0.01 -0.00 0.03 0.01 0.01 -0.00 0.00 -0.00 -0.03 0.00 -0.01 0.03 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.11 -0.00 -0.01 -0.06 -0.00 0.03 -0.04 0.01 -0.06 -0.04 -0.01 -0.01 -0.07 -0.00 0.01 0.02 0.00 -0.01 0.01 -0.00 0.00 -0.03 -0.00 0.10 0.03 0.17 0.07 0.31 0.03 -0.21 0.07 -0.15 -0.00 -0.03 0.00 -0.13 0.05 -0.21 -0.02 0.40 -0.02 0.26 0.04 0.19 -0.00 -0.00 -0.00 -0.03 0.08 -0.04 0.05 0.06 0.04 0.05 0.02 0.04 0.08 -0.32 0.10 -0.05 0.04 -0.04 -0.13 -0.30 -0.11 -0.01 -0.05 -0.00 -0.09 -0.25 -0.06 0.05 -0.28 0.06 0.00 -0.06 0.01 -0.03 0.02 -0.01 -0.03 -0.01 -0.01 0.03 0.01 0.01 -0.02 0.03 -0.00 -0.02 -0.02 -0.00 0.03 -0.01 0.01 -0.04 -0.00 -0.01 0.03 -0.01 0.01 0.12 -0.07 0.02 0.13 0.04 0.03 0.03 -0.01 0.01 0.03 -0.03 0.00 0.04 0.02 0.00 -0.02 -0.03 -0.00 0.23 -0.06 0.22 0.12 0.46 0.03 -0.26 0.14 -0.25 -0.01 0.02 0.00 0.22 0.02 0.20 0.03 -0.42 0.02 -0.24 -0.08 -0.23 0.04 -0.00 0.03 -0.02 -0.03 -0.02 -0.01 0.04 -0.01 0.02 0.05 0.01 -0.04 -0.01 -0.02 -0.00 -0.05 0.00 -0.05 -0.03 -0.03 0.01 -0.00 0.01 -0.08 -0.11 -0.06 -0.05 0.09 -0.05 -0.11 0.01 -0.09 0.03 0.05 0.00 0.02 -0.05 0.00 0.02 -0.03 0.00 -0.03 0.07 -0.01 -0.04 -0.06 -0.01 0.02 0.03 0.00 0.12 -0.01 0.03 0.03 0.01 0.01 0.18 -0.07 0.04 0.19 0.04 0.04 0.02 -0.01 0.01 -0.09 0.03 -0.01 -0.09 -0.01 -0.01 -0.03 -0.01 -0.00 0.31 -0.14 0.19 0.35 0.08 -0.14 0.12 -0.00 -0.00 -0.03 0.01 -0.00 0.36 0.08 0.22 0.35 -0.18 -0.15 0.10 -0.03 -0.02 -0.08 0.01 -0.06 0.03 0.06 0.02 0.02 -0.06 0.02 -0.02 -0.08 -0.01 0.07 -0.07 0.07 -0.01 0.09 -0.01 0.07 0.03 0.07 -0.01 -0.00 -0.01 0.11 0.14 0.09 0.08 -0.18 0.09 0.15 -0.02 0.13 -0.01 0.02 -0.00 0.01 0.01 0.00 0.00 0.01 0.00 -0.04 0.01 -0.01 0.03 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.03 0.00 -0.00 -0.07 0.00 0.05 -0.06 0.01 -0.04 -0.04 -0.01 -0.01 -0.07 -0.00 -0.02 -0.04 -0.00 0.01 -0.05 0.00 -0.02 -0.01 -0.00 0.30 -0.10 0.23 0.22 0.33 -0.04 -0.18 0.10 -0.16 0.01 -0.01 0.00 -0.30 -0.03 -0.22 -0.13 0.36 0.04 0.20 0.05 0.16 0.00 0.05 -0.00 0.03 -0.05 0.03 -0.04 -0.05 -0.03 -0.04 -0.03 -0.03 -0.06 0.23 -0.06 0.03 -0.03 0.03 0.11 0.22 0.07 0.00 0.04 0.00 0.08 0.20 0.05 -0.04 0.20 -0.04 0.01 0.05 0.00 -0.05 0.10 -0.01 -0.06 -0.09 -0.01 0.08 -0.06 0.02 -0.08 0.15 -0.02 -0.11 -0.13 -0.02 0.09 0.05 0.02 -0.06 0.01 -0.02 0.11 0.07 0.02 0.43 -0.20 0.09 0.46 0.11 0.09 0.09 -0.09 0.02 0.06 0.05 0.01 0.05 -0.07 0.01 -0.00 0.00 0.00 -0.22 0.06 -0.16 -0.15 -0.21 0.03 0.17 -0.06 0.09 -0.00 -0.00 0.00 -0.22 -0.01 -0.16 -0.11 0.23 0.03 0.18 0.02 0.09 0.02 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.02 0.00 -0.02 0.02 -0.02 0.00 -0.02 0.00 -0.02 -0.01 -0.02 -0.00 0.00 -0.00 -0.02 -0.03 -0.02 -0.02 0.03 -0.02 -0.03 0.00 -0.02 0.18 0.17 0.03 -0.14 0.20 -0.03 -0.01 -0.19 0.00 0.01 0.05 0.00 -0.00 0.05 -0.00 -0.03 -0.18 -0.01 0.00 -0.00 0.00 0.05 0.47 0.01 -0.07 0.12 -0.01 0.09 0.10 0.02 0.05 0.47 0.01 0.11 -0.11 0.01 -0.13 -0.09 -0.01 -0.00 0.00 0.01 -0.09 0.05 -0.04 -0.19 0.11 0.11 -0.21 0.06 -0.09 0.00 0.00 -0.01 0.10 0.03 0.05 0.21 0.07 -0.11 0.22 0.02 0.09 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.04 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 0.01 -0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.04 -0.01 0.02 -0.01 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 0.03 -0.01 0.02 0.01 0.02 -0.13 0.02 -0.11 0.08 -0.16 0.08 0.12 0.14 0.09 -0.12 0.04 -0.11 -0.07 0.35 -0.10 -0.12 -0.02 -0.11 -0.14 -0.33 -0.11 0.24 -0.03 0.20 -0.09 0.15 -0.07 -0.11 -0.13 -0.08 -0.47 0.05 -0.40 0.01 -0.02 0.01 -0.02 -0.01 -0.01 0.00 0.02 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.02 0.00 0.04 0.43 0.01 -0.00 -0.02 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.02 -0.00 -0.06 -0.10 -0.01 0.03 -0.11 0.01 -0.01 0.02 0.00 0.21 -0.11 0.07 0.14 0.03 -0.06 -0.04 0.04 -0.01 0.01 0.02 -0.00 -0.23 -0.07 -0.07 -0.13 0.06 0.06 0.05 0.03 0.02 -0.03 -0.26 -0.00 -0.03 -0.10 -0.02 0.01 -0.10 0.02 0.08 0.22 0.06 -0.04 -0.13 -0.02 -0.04 0.23 -0.05 0.02 -0.13 0.01 -0.01 -0.13 -0.00 -0.21 -0.31 -0.16 0.14 -0.35 0.15 -0.02 -0.14 -0.00 -0.11 0.06 -0.02 0.12 0.03 0.02 -0.05 -0.03 -0.01 0.07 -0.02 0.01 -0.07 -0.00 -0.01 0.04 -0.04 0.01 -0.02 -0.24 -0.00 -0.05 0.02 -0.01 -0.07 0.09 -0.01 0.08 0.07 0.02 0.05 0.01 0.01 0.02 0.04 0.00 -0.01 0.05 -0.00 -0.00 -0.00 -0.00 -0.05 0.02 -0.02 -0.03 -0.01 0.01 0.04 -0.01 0.00 0.00 -0.00 0.00 0.05 0.01 0.02 0.03 -0.01 -0.01 -0.04 -0.00 -0.00 0.03 0.28 0.00 0.01 -0.27 0.03 -0.06 -0.26 -0.04 0.07 0.23 0.04 -0.16 0.30 -0.17 -0.02 0.24 -0.03 0.22 0.25 0.18 -0.01 -0.10 -0.00 -0.18 -0.20 -0.15 0.13 -0.24 0.14 -0.01 -0.11 -0.00 -0.07 0.36 -0.01 -0.14 -0.34 -0.03 0.07 0.34 0.01 0.04 -0.13 0.01 0.06 0.12 0.01 0.00 -0.35 0.00 0.03 -0.00 0.00 0.01 -0.42 0.01 -0.10 -0.04 -0.02 -0.10 0.06 -0.02 0.10 0.41 0.02 0.02 0.06 0.01 0.01 -0.06 0.00 -0.02 -0.01 -0.00 -0.01 -0.02 0.01 0.06 -0.04 -0.05 0.14 -0.03 0.03 -0.02 0.01 -0.00 -0.00 0.02 0.01 0.07 0.03 -0.05 0.15 -0.00 0.04 -0.02 0.00 -0.01 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.29 0.21 -0.06 0.33 0.14 0.06 -0.17 -0.06 -0.03 0.27 -0.09 0.05 -0.28 -0.03 -0.06 0.15 -0.09 0.03 0.01 0.07 0.00 -0.18 0.10 -0.03 -0.22 0.28 -0.05 0.27 0.23 0.05 0.20 0.06 0.03 -0.06 -0.08 -0.01 0.04 -0.09 0.01 0.01 0.02 0.00 0.07 -0.02 0.02 0.02 0.03 0.00 -0.11 0.03 -0.01 -0.01 0.02 -0.00 -0.07 -0.00 -0.02 -0.01 0.04 -0.00 0.11 0.01 0.01 -0.01 -0.09 -0.00 -0.01 0.09 -0.01 0.02 0.09 0.02 -0.02 -0.08 -0.01 0.05 -0.10 0.05 0.01 -0.08 0.01 -0.07 -0.08 -0.06 0.00 0.04 0.00 0.06 0.06 0.05 -0.04 0.07 -0.04 0.00 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 0.01 -0.02 0.26 0.31 -0.23 0.27 -0.12 0.65 -0.01 -0.30 -0.19 -0.02 -0.00 -0.01 0.08 -0.14 -0.09 0.11 0.02 0.26 0.02 0.12 -0.07 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 0.01 -0.10 -0.12 0.09 -0.11 0.05 -0.26 0.00 0.12 0.08 -0.04 -0.00 -0.02 0.19 -0.35 -0.24 0.28 0.05 0.66 0.05 0.31 -0.19 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.03 -0.08 -0.43 -0.51 0.35 0.23 -0.09 0.54 0.01 0.22 0.11 0.00 -0.00 -0.01 -0.02 0.03 0.02 0.01 0.00 0.03 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.03 0.03 -0.02 -0.01 0.01 -0.03 -0.00 -0.01 -0.01 0.01 -0.03 -0.09 -0.32 0.57 0.36 0.24 0.03 0.54 -0.04 -0.23 0.11 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.03 -0.04 0.03 -0.01 0.01 -0.02 -0.00 -0.10 -0.06 0.01 -0.09 0.03 -0.18 0.32 0.22 -0.06 -0.03 -0.14 0.14 0.75 -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.03 -0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.02 0.02 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.08 -0.03 0.23 0.27 -0.20 0.05 -0.05 0.14 0.02 0.75 0.46 0.00 -0.01 0.00 -0.02 0.04 0.03 -0.01 -0.00 -0.02 0.02 0.10 -0.06 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.04 0.02 0.03 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.03 0.02 -0.02 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.03 -0.02 -0.00 0.00 -0.00 0.01 -0.02 -0.01 0.00 0.00 0.01 -0.01 -0.03 0.02 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.01 0.03 -0.03 0.03 0.11 0.06 0.10 -0.04 -0.02 -0.03 -0.09 0.08 -0.09 0.00 0.03 0.00 -0.39 0.37 -0.37 0.43 0.25 0.36 -0.04 -0.37 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.02 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 -0.00 0.00 0.01 0.00 0.01 0.01 -0.01 0.01 -0.03 0.03 -0.03 -0.11 -0.07 -0.10 -0.04 -0.03 -0.04 -0.10 0.09 -0.10 0.00 0.00 0.00 0.40 -0.38 0.38 0.49 0.29 0.41 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.03 0.05 0.01 0.02 -0.05 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.18 -0.02 0.04 -0.39 -0.55 -0.07 -0.27 0.62 -0.06 0.18 -0.02 0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.00 0.01 -0.03 -0.04 -0.01 0.02 -0.05 0.00 -0.03 0.01 -0.01 -0.00 -0.00 -0.00 -0.37 0.03 -0.08 0.34 0.48 0.07 -0.24 0.55 -0.05 0.36 -0.04 0.08 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.02 -0.01 -0.02 0.02 -0.01 0.02 0.01 -0.01 0.01 0.22 0.13 0.19 -0.01 -0.00 -0.01 -0.18 0.17 -0.18 -0.01 -0.08 -0.00 -0.10 0.09 -0.10 0.13 0.07 0.11 0.09 0.85 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.03 -0.02 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.02 -0.01 0.00 -0.00 0.00 -0.04 -0.03 -0.04 -0.03 0.03 -0.03 -0.01 0.01 -0.01 0.50 0.30 0.44 -0.01 -0.01 -0.01 0.37 -0.35 0.38 0.00 0.00 0.00 0.11 -0.11 0.11 0.10 0.06 0.08 -0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.06 0.01 -0.01 -0.01 -0.02 -0.00 -0.00 0.02 -0.00 -0.06 0.01 -0.01 0.00 0.00 0.00 0.68 -0.07 0.15 0.11 0.17 0.02 0.06 -0.16 0.01 0.64 -0.07 0.14 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 0.00 0.03 0.02 0.03 -0.03 0.03 -0.03 0.01 -0.01 0.01 -0.38 -0.23 -0.34 -0.02 -0.01 -0.01 0.39 -0.37 0.39 -0.00 -0.03 -0.00 -0.14 0.13 -0.13 0.18 0.11 0.15 0.03 0.34 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.01 0.01 0.02 0.03 0.00 -0.01 0.03 -0.00 -0.05 0.01 -0.01 -0.00 -0.00 0.00 -0.56 0.06 -0.12 -0.21 -0.30 -0.04 0.15 -0.34 0.03 0.60 -0.07 0.13 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 6 6 6 6 6 6 6 1 1 1 1 7 7 6 1 1 1 6 1 1 1 6 6 6 6 1 6 1 6 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 6 6 6 6 6 6 6 1 1 1 1 7 7 6 1 1 1 6 1 1 1 6 6 6 6 1 6 1 6 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 14.00307 14.00307 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 223.12352 1487.70190 6177.61989 7459.88685 0.10177 0.969 -0.22512 0.9947 -0.10249 0.00853 0.01481 0.2248 0.97429 asymmetric 1 0.05822 0.01402 0.01161 1.21311 0.29214 0.24193 693780.3 66.41 118.13 135.43 184.42 188.56 212.05 224.97 272.56 381.40 391.09 413.21 422.49 472.59 490.38 619.40 620.95 662.15 777.07 779.85 828.37 834.47 871.83 898.83 920.49 998.87 1005.62 1050.39 1061.36 1089.27 1179.24 1193.46 1196.32 1201.60 1225.29 1290.95 1391.73 1397.82 1408.00 1411.13 1473.54 1487.88 1492.48 1518.07 1577.41 1602.50 1622.73 1622.95 1639.06 1654.48 1661.65 1681.71 1715.12 1810.55 1813.57 1879.97 1931.13 1942.38 1950.71 2013.43 2049.74 2075.43 2081.30 2092.20 2094.61 2111.42 2117.94 2132.15 2133.71 2161.23 2187.70 2228.85 2271.46 2341.79 2347.85 2377.49 4370.08 4371.07 4472.77 4474.06 4537.84 4538.76 4551.71 4557.68 4574.55 4594.70 4597.89 4610.31 4614.36 4614.73 4620.31 0.264247 0.278746 0.279690 0.222493 -689.947432 -689.932933 -689.931988 -689.989186 174.916 57.752 120.382 0.000 0.000 1.377 0.889 2.981 42.110 0.889 2.981 32.594 173.138 51.791 44.300 1 0.595 1.979 4.976 2 0.600 1.961 3.840 3 0.603 1.953 3.572 4 0.611 1.925 2.973 5 0.612 1.922 2.931 6 0.617 1.906 2.706 7 0.620 1.896 2.593 8 0.633 1.854 2.233 9 0.671 1.737 1.628 10 0.675 1.725 1.585 11 0.684 1.697 1.490 12 0.688 1.686 1.453 13 0.712 1.619 1.268 14 0.720 1.594 1.208 15 0.792 1.404 0.857 16 0.793 1.401 0.853 17 0.818 1.338 0.765 18 0.895 1.161 0.565 19 0.897 1.157 0.561 20 0.932 1.084 0.493 21 0.937 1.075 0.485 22 0.965 1.019 0.440 0.160531e+20 19.205560 44.222435 0.206718e+05 4.315377 9.936524 0.200000e+01 0.301030 0.693147 0.131000e+09 8.117272 18.690709 0.296401e+07 6.471880 14.902055 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.1706 1.7085 0.0213 1.7171 -87.8825 -103.6157 -103.6225 -16.6212 4.4808 -0.3779 10.4910 -5.2421 -5.2489 -16.6212 4.4808 -0.3779 2196.0042 -294.2541 -24.3462 871.0959 86.6757 -84.9267 875.6757 -111.4837 -7.2207 1.5672 -38084.6809 -5158.9425 -263.6207 155.2620 1086.1946 2298.7739 -52.8760 95.5705 -51.1934 -8338.7373 -7633.4229 -1012.3657 -3.9421 68.4745 875.1175 0 -690.2116785 0.765539 0. 0.750192 5.766E-9 3.081E-6 0.2642469 0.2787459 7.7998246,-3.8973654,-3.9024592,-12.3574843,3.3313906,-0.2809456 C01 [X(C15H15N2)] 0.0671097 0.6721619 0.0083954 0.033373 1.1336626 0.0265768 0.5403658 1.4205077 0.0605433 0.0392187 0.1470105 0.0766206 -0.240976 -0.7900585 -0.0100223 -0.1954939 1.6984767 -0.0167756 0.001725 -0.1066234 0.0715623 -0.0118752 -0.6539966 0.0555984 0.2770147 0.431382 0.0389293 0.0434001 -0.0866647 -0.2017168 0.1282009 1.0084883 0.0503585 -0.2653503 -0.902602 -0.0415527 0.0620342 0.2299282 -0.1552457 -0.0604909 -1.182489 0.0232956 0.0908052 -0.7049566 0.0143229 0.0164274 -0.2557382 -0.1620574 0.080974 0.7243384 0.0689724 -0.2096839 0.3362648 -0.0351284 0.0552925 0.0931856 -0.1992336 1.0210422 0.0014761 0.1902434 -0.0007655 1.0629151 -0.0048554 0.3329626 -0.0165532 0.0218298 -0.0845166 0.0236457 -0.0505449 0.0604513 0.1257058 0.0152658 -0.063701 -0.024446 0.1493554 0.0122268 -0.1242792 -0.0239219 -0.115726 -0.1409824 -0.0223772 -0.0188008 -0.021742 0.1324251 0.0538318 0.0841426 -0.0166705 0.0756222 -0.1833298 0.0176619 -0.0118387 0.015631 0.1337593 -0.0920734 0.0229553 -0.0522522 -0.0142984 0.1329572 -0.0049201 -0.058597 0.036314 0.1492071 -1.0038603 -0.2966962 -0.1357952 -0.0016155 -1.9866053 0.0127166 -0.2003882 0.0224489 -0.1767982 -0.9831972 0.0917309 -0.1362508 -0.1993803 -2.0064278 -0.0389526 -0.2080803 -0.0366027 -0.1779371 0.8213802 -0.145559 0.0616499 -0.2967765 0.0894023 -0.0611656 0.0760307 -0.0663021 0.3006153 -0.0679717 -0.0333422 0.0214831 -0.1392492 -0.0294928 0.0850835 0.0782286 0.0771988 0.0449915 -0.0959704 0.0411363 -0.0389068 0.0793532 0.0624292 0.0377115 -0.1159915 0.0497634 -0.1154897 0.0403303 -0.0086991 -0.0482529 0.0937822 -0.0142082 -0.0691193 -0.024869 -0.0907944 0.0374659 0.8771755 -0.0167832 0.0757465 0.1336353 0.0268535 0.0405068 0.0946883 0.0412544 0.3026023 -0.030563 0.0332453 0.0040606 0.1393433 -0.0611855 -0.0896658 0.0633089 -0.0932235 0.0421451 -0.1138881 -0.0042591 -0.0465176 -0.0393992 0.0822415 -0.0226899 -0.1243008 -0.0210319 -0.1174286 0.0207668 0.0020335 -0.0337865 -0.1008416 0.0005106 0.0761631 -0.0088043 0.0936744 0.0406475 -0.1145078 0.2304128 0.0175113 0.2300657 2.1105797 0.0299187 0.0017407 0.0320955 -0.0475605 -0.03308 0.6733075 0.083375 -0.1999972 -1.2391153 -0.0868272 0.1498703 0.5336032 -0.0822313 -0.1759883 -0.8941351 0.0729058 -0.0214477 -1.0808378 0.0398427 0.0364108 -0.5855809 -0.0964779 0.1656601 0.4041435 0.2259005 0.2179389 0.9969824 0.0919483 0.2220689 0.2724143 0.0579942 0.0135438 -0.0142513 -0.1085407 -0.071469 0.0380099 -0.06876 -0.122736 -0.0315738 0.036098 0.0752789 -0.2171236 0.1963832 -0.031696 1.0992386 -0.1053915 0.1626076 -0.2798756 0.0470623 0.0329034 0.0181207 -0.0911441 0.0743534 0.0159777 0.0870274 -0.1111825 0.0557805 0.0396058 -0.3330226 -0.087331 -0.0998502 -0.085032 -1.1718982 -0.0027371 -0.1054607 -0.0043316 -0.3123682 0.0083234 0.1369256 -0.1113818 0.0836315 -0.0239477 0.082573 -0.0987303 0.1599666 0.0251644 -0.0363157 -0.1305793 -0.1300419 -0.077044 0.0269541 -0.0585383 -0.1317782 -0.1370373 0.0185932 0.0932861 -0.0301825 -0.0401806 -0.0310963 -0.2117995 -0.0007579 -0.030756 -0.0021479 0.1168 237.9327066|36.0921727|593.7092534|48.3681347|2.0449147|125.837602 -0.000000321 -0.000006324 0.000002048 -0.000003046 -0.000000363 -0.000001135 0.000000114 0.000000826 -0.000000535 0.000001570 0.000000085 0.000000017 -0.000001853 -0.000001015 0.000001184 0.000001625 0.000001386 0.000002006 0.000003310 -0.000011195 0.000005237 0.000000331 0.000000407 -0.000003791 0.000000080 -0.000000626 -0.000001168 -0.000001876 -0.000000730 0.000001551 -0.000000754 0.000001576 0.000004046 -0.000002053 0.000000297 -0.000004967 -0.000003913 0.000003104 -0.000008788 -0.000003390 -0.000002320 -0.000001554 0.000001100 0.000000281 -0.000004470 0.000000985 0.000001899 -0.000003237 0.000000272 0.000001785 -0.000004084 0.000002587 0.000001993 0.000008656 -0.000001036 -0.000000502 0.000004339 -0.000001532 -0.000000257 0.000004554 -0.000001568 -0.000000701 0.000003902 0.000010434 0.000005837 0.000002192 -0.000001936 0.000005343 -0.000005022 -0.000003105 0.000003855 0.000001625 0.000000618 -0.000001671 -0.000001221 0.000002683 -0.000001589 -0.000001174 -0.000001521 -0.000000481 -0.000000470 -0.000000281 -0.000001201 0.000000918 0.000000605 0.000000192 0.000000095 0.000002333 -0.000000151 -0.000003312 -0.000001334 0.000000329 0.000002425 0.000000872 -0.000000070 0.000000133 208.1738999999999 AuxInfo=1/0/N:14,18,29,25,27,4,5,23,24,3,6,22,2,1,7,12,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)/CRV:3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3/rA:32nC3C3C3C3C3C3C3HHHHNNCHHHCHHHC3C3C3C3HC3HC3HHH/rB:s1;s2;s3;s4;s1s5;;s3;s4;s5;s6;s2s7;s1s7;s12;s14;s14;s14;s13;s18;s18;s18;s7;s22;s22;s23;s23;s24;s24;s25s27;s25;s27;s29;/rC:-8.952,2.9261,-.0373;-7.5756,2.7811,.2475;-6.748,3.8914,.4064;-7.3383,5.1643,.2763;-8.7018,5.3078,.0046;-9.5371,4.1851,-.1611;-8.4838,.6983,.0725;-5.6879,3.7821,.6358;-6.715,6.0526,.3956;-9.132,6.3069,-.0868;-10.5968,4.2995,-.3905;-7.3051,1.4203,.3067;-9.4916,1.6503,-.1362;-5.956,.8884,.2134;-5.322,1.6156,-.3138;-5.5195,.6946,1.206;-5.9684,-.0473,-.3583;-10.9206,1.3985,-.057;-11.3984,2.2261,.4864;-11.3814,1.3188,-1.0542;-11.0998,.4667,.4928;-8.6282,-.7125,.0517;-7.7853,-1.5696,.8365;-9.6249,-1.3578,-.7553;-7.9337,-2.9486,.8055;-7.044,-1.1321,1.5049;-9.7591,-2.7386,-.765;-10.2603,-.7599,-1.4083;-8.9197,-3.5602,.0097;-7.2796,-3.5646,1.4284;-10.5226,-3.1908,-1.4036;-9.0309,-4.6455,-.0064;