Gaussian 09 GINC-KIMIK2184 EGARCIAP Opt freq EM64L-G09RevD.01 12-Jul-2024 Gaussian 09 24-Apr-2013 EM64L-G09RevD.01 36 36 (6D, 7F) 6-31G(d) RB3LYP 6-31G(d) FOpt #p b3lyp opt freq=noraman 6-31G(d) scrf=(solvent=generic,read,pcm) nosymm empiricaldispersion=gd3 scf=maxcyc=512 222.17729999999997 1 1 AuxInfo=1/0/N:25,26,21,13,14,3,4,15,17,5,7,1,12,2,19,9,24,36/E:(1,2)(4,5)(6,7)(8,9)(10,11)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:36nC3C3C3C3C3HC3HC3HHC3C3C3C3HC3HC3HCHHNCCHHHHHHHHHO/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s5;s7;s1;s12;s12;s13;s13;s14;s14;s15s17;s17;;s21;s21;s19;s24;s24;s25;s25;s26;s26;s15;s21;s26;s25;s1;s9s21;/rC:-.0702,-.3967,1.3012;.0286,-1.6703,.665;.5093,-1.8882,-.6575;-.3433,-2.8123,1.4217;.5575,-3.155,-1.194;.9005,-1.0614,-1.2372;-.3186,-4.0879,.8863;-.6841,-2.6779,2.4444;.1274,-4.2695,-.4378;.9427,-3.3287,-2.193;-.6316,-4.9295,1.4911;-.0993,.898,.7786;.0253,1.9985,1.6918;-.2858,1.2333,-.604;.0537,3.2983,1.2716;.1311,1.7849,2.7517;-.2778,2.5287,-1.0379;-.5,.4514,-1.3217;-.0751,3.6181,-.1218;-.4572,2.7287,-2.0858;-.1879,-6.6449,-.3624;-1.2424,-6.5949,-.0716;.438,-6.803,.5221;-.0343,4.8903,-.5534;-.1527,5.2045,-1.9825;.1171,5.9985,.3973;-1.1379,4.9181,-2.3658;.6213,4.6878,-2.5578;-.7081,6.0093,1.1164;1.0651,5.919,.9394;.1743,4.0855,2.0036;-.0387,-7.4597,-1.0702;.1099,6.9387,-.1505;-.0261,6.2766,-2.1203;-.1403,-.4484,2.3873;.2067,-5.4543,-1.0613; g09 /mnt/data/applications/G09/g09/l1.exe "/scratch/Gau-115810.inp" -scrdir="/scratch/" nprocshared=24 mem=41GB #p b3lyp opt freq=noraman 6-31G(d) scrf=(solvent=generic,read,pcm) nos 1/14=-1,18=20,19=15,26=3,38=1,40=2/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,70=2203,71=1,72=-2,74=-5,124=31/1,2,3 4//1 5/5=2,7=512,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7/30=1/1,2,3,16 1/14=-1,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=1,6=6,7=1,11=2,16=1,25=1,30=1,70=2205,71=1,72=-2,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=512,38=5/2 7/30=1/1,2,3,16 1/14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Opt freq 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 12 12 12 12 12 1 12 1 12 1 1 12 12 12 12 1 12 1 12 1 12 1 1 14 12 12 1 1 1 1 1 1 1 1 1 16 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 1 0 1 0 1 1 2 0 0 1 1 1 1 1 1 1 1 1 0 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 0.0000000 0.0000000 0.0000000 0.0000000 (Enter /mnt/data/applications/G09/g09/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 R35 R36 R37 1 1 1 2 2 3 3 4 4 5 5 7 7 9 12 12 13 13 14 14 15 15 17 17 19 21 21 21 21 24 24 25 25 25 26 26 26 2 12 35 3 4 5 6 7 8 9 10 9 11 36 13 14 15 16 17 18 19 31 19 20 24 22 23 32 36 25 26 27 28 34 29 30 33 1.4271 1.3965 1.0896 1.424 1.4195 1.3765 1.0829 1.3835 1.0863 1.4137 1.0847 1.409 1.0827 1.3412 1.4355 1.4348 1.3663 1.0864 1.3662 1.0828 1.4354 1.0817 1.4377 1.0818 1.3441 1.0951 1.095 1.0896 1.4358 1.4681 1.4679 1.0952 1.0941 1.0883 1.0946 1.0949 1.0882 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 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 A58 A59 A60 A61 2 2 12 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 1 1 13 12 12 15 12 12 17 13 13 19 14 14 19 15 15 17 22 22 22 23 23 32 19 19 25 24 24 24 27 27 28 24 24 24 29 29 30 9 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 12 12 12 13 13 13 14 14 14 15 15 15 17 17 17 19 19 19 21 21 21 21 21 21 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 36 12 35 35 3 4 4 5 6 6 7 8 8 9 10 10 9 11 11 7 36 36 13 14 14 15 16 16 17 18 18 19 31 31 19 20 20 17 24 24 23 32 36 32 36 36 25 26 26 27 28 34 28 34 34 29 30 33 30 33 33 21 131.4504 113.9857 114.5631 125.0289 117.5286 117.4146 120.9687 120.1485 118.7807 122.0543 118.9765 118.9473 120.4229 121.2424 118.3224 119.2193 119.6937 121.0842 119.8231 115.4539 124.7108 118.0865 125.4513 116.4334 122.372 118.5843 119.0166 121.7945 119.7149 118.3818 120.5724 119.1083 120.3193 121.1265 118.8127 120.0356 117.5403 121.3211 121.1261 110.0288 109.7863 110.8594 109.7849 110.8427 105.4432 120.8424 120.648 118.507 110.9348 110.7171 108.9469 109.1967 108.5411 108.4407 110.801 110.8005 109.0001 109.1635 108.4906 108.524 119.341 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 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 12 12 35 35 2 2 35 35 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 10 10 4 4 11 11 5 7 1 1 14 14 1 1 13 13 12 12 16 16 12 12 18 18 13 13 31 31 14 14 20 20 15 15 17 17 22 23 32 19 19 19 26 26 26 19 19 19 25 25 25 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 9 9 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 21 21 21 24 24 24 24 24 24 24 24 24 24 24 24 2 2 2 2 12 12 12 12 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 9 9 9 9 36 36 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 19 19 19 19 24 24 24 24 36 36 36 25 25 25 25 25 25 26 26 26 26 26 26 3 4 3 4 13 14 13 14 5 6 5 6 7 8 7 8 9 10 9 10 9 11 9 11 7 36 7 36 5 36 5 36 21 21 15 16 15 16 17 18 17 18 19 31 19 31 19 20 19 20 17 24 17 24 15 24 15 24 25 26 25 26 9 9 9 27 28 34 27 28 34 29 30 33 29 30 33 19.4735 -162.5017 -160.8887 17.1361 -169.4702 12.5588 10.8936 -167.0773 -179.4012 4.3171 2.572 -173.7097 178.2126 -0.0696 -3.6094 178.1084 0.0347 -178.6702 176.3662 -2.3386 1.9697 -178.6256 -179.7476 -0.3429 -1.7678 179.446 176.9743 -1.8119 0.7734 179.4401 -178.6228 0.0439 178.9817 0.2627 177.7197 -0.3653 -4.1261 177.7889 -178.8105 5.0447 3.1886 -172.9562 1.5515 -178.4771 179.6285 -0.4001 0.2719 -177.9041 176.4662 -1.7097 2.0251 -179.2523 -177.9459 0.7767 -2.9358 178.339 175.2181 -3.5072 179.3413 -1.2458 -1.9818 177.4311 60.9802 -61.5166 179.737 64.4647 -56.9399 -176.1098 -114.9605 123.6349 4.4651 -59.7213 61.6072 -179.0367 119.705 -118.9665 0.3896 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 3.00e-01 1.00e-07 1.00e-06 185 216 0.10000e-02 0.10000e-05 F 36 1.00e+00 60 F 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= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 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. NBasis= 306 RedAO= T EigKep= 4.19D-04 NBF= 306 NBsUse= 306 1.00D-06 EigRej= -1.00D+00 NBFU= 306 Berny optimization. local minimum Step number 15 out of a maximum of 185 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00114 0.00141 0.01098 0.01222 0.01262 0.01620 0.01724 0.01791 0.01858 0.01889 0.01914 0.01979 0.02000 0.02007 0.02028 0.02073 0.02090 0.02115 0.02130 0.02156 0.02164 0.02206 0.02224 0.02235 0.02427 0.02571 0.02953 0.07328 0.07358 0.07428 0.07507 0.10136 0.10671 0.14234 0.15263 0.15760 0.15972 0.15988 0.15994 0.15996 0.15999 0.16000 0.16001 0.16001 0.16016 0.16065 0.16077 0.16124 0.16174 0.16241 0.16503 0.21949 0.22045 0.22682 0.22869 0.23133 0.23604 0.24044 0.24472 0.24968 0.25127 0.26851 0.30049 0.33897 0.34049 0.34180 0.34236 0.34281 0.34310 0.34693 0.34839 0.34900 0.35013 0.35132 0.35173 0.35212 0.35257 0.35381 0.35608 0.35655 0.35750 0.35940 0.36266 0.36824 0.37393 0.37723 0.38029 0.38836 0.40125 0.40477 0.40530 0.41881 0.43924 0.44874 0.46622 0.48312 0.48856 0.50292 0.51807 0.54663 0.57019 0.58487 -9.07820343e-10 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 R35 R36 R37 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 A58 A59 A60 A61 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 2.69252 2.64229 2.05936 2.69261 2.68398 2.59919 2.04654 2.61287 2.05303 2.67343 2.04959 2.66424 2.04614 2.52943 2.71076 2.70949 2.58326 2.05324 2.58289 2.04645 2.71121 2.04423 2.71539 2.04447 2.54267 2.06952 2.06943 2.05880 2.71308 2.77387 2.77352 2.06971 2.06856 2.05674 2.06933 2.06906 2.05662 2.29368 1.98990 1.99960 2.18155 2.05221 2.04892 2.11171 2.09556 2.07401 2.13044 2.07577 2.07656 2.10161 2.11825 2.06308 2.08071 2.08972 2.11271 2.09125 2.01403 2.17769 2.06287 2.18775 2.03204 2.13549 2.07082 2.07641 2.12606 2.08868 2.06648 2.10505 2.07843 2.09968 2.11411 2.07321 2.09554 2.05072 2.11759 2.11465 1.92194 1.91631 1.93397 1.91622 1.93410 1.83974 2.10843 2.10535 2.06939 1.93609 1.93417 1.90249 1.90564 1.89193 1.89253 1.93584 1.93342 1.90333 1.90485 1.89322 1.89222 2.08628 0.33358 -2.84311 -2.81297 0.29353 -2.94370 0.23405 0.20286 -2.90257 -3.13127 0.07744 0.04535 -3.02912 3.10989 -0.00061 -0.06408 3.10861 0.00070 -3.11655 3.07598 -0.04127 0.03550 -3.11643 -3.13721 -0.00595 -0.03094 3.13231 3.08706 -0.03287 0.01299 3.13075 -3.11813 -0.00037 3.12322 0.00451 3.10062 -0.00750 -0.07391 3.10116 -3.12303 0.08691 0.05416 -3.01910 0.03055 -3.11722 3.13856 -0.00921 0.00803 -3.10612 3.08213 -0.03203 0.03369 -3.13001 -3.10165 0.01783 -0.05292 3.11075 3.06089 -0.05863 -3.13299 0.00124 -0.01432 3.11991 1.06658 -1.07245 3.13868 1.08564 -1.03417 -3.11564 -2.04873 2.11464 0.03316 -1.07574 1.04239 3.12356 2.05865 -2.10641 -0.02523 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00001 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 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00002 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00003 -0.00002 -0.00003 -0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00003 0.00003 0.00002 0.00002 0.00000 0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00002 0.00001 -0.00003 0.00001 -0.00003 0.00000 -0.00001 -0.00001 -0.00004 -0.00004 0.00003 0.00003 -0.00001 0.00000 -0.00013 -0.00013 -0.00013 -0.00013 0.00001 0.00000 0.00000 0.00028 0.00028 0.00030 0.00028 0.00027 0.00029 0.00036 0.00036 0.00037 0.00037 0.00036 0.00038 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00002 0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00002 0.00002 -0.00001 0.00000 0.00002 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00002 0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00007 0.00008 0.00006 0.00006 -0.00002 -0.00002 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00002 0.00002 0.00001 0.00001 0.00001 0.00003 0.00000 0.00002 -0.00002 -0.00004 -0.00002 -0.00004 0.00002 0.00004 -0.00001 -0.00001 -0.00001 -0.00001 0.00002 0.00002 0.00002 0.00003 -0.00002 -0.00003 -0.00002 -0.00003 0.00000 0.00002 -0.00001 0.00002 0.00004 0.00003 0.00005 0.00004 -0.00003 -0.00003 -0.00005 -0.00005 0.00008 -0.00002 0.00007 -0.00003 0.00000 -0.00002 -0.00002 0.00012 0.00010 0.00013 0.00022 0.00020 0.00022 -0.00008 -0.00007 -0.00008 -0.00017 -0.00016 -0.00018 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00002 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00001 -0.00003 0.00002 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00002 0.00002 -0.00002 0.00000 0.00002 0.00000 -0.00002 0.00001 -0.00001 -0.00001 0.00001 -0.00002 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00002 0.00002 -0.00003 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 0.00007 0.00007 0.00004 0.00004 -0.00006 -0.00005 -0.00002 -0.00002 0.00002 0.00002 0.00001 0.00001 -0.00003 -0.00001 -0.00002 0.00000 0.00000 0.00001 0.00000 0.00001 0.00003 0.00003 0.00001 0.00001 0.00001 0.00004 0.00000 0.00003 -0.00002 -0.00005 -0.00002 -0.00006 0.00000 0.00003 0.00002 0.00002 0.00001 0.00001 0.00001 0.00003 0.00002 0.00003 -0.00003 -0.00001 -0.00004 -0.00002 -0.00003 0.00003 -0.00004 0.00002 0.00003 0.00002 0.00001 0.00000 0.00000 0.00001 -0.00006 -0.00005 -0.00006 -0.00015 -0.00006 -0.00016 0.00000 -0.00002 -0.00001 0.00040 0.00038 0.00042 0.00049 0.00047 0.00051 0.00028 0.00029 0.00029 0.00019 0.00020 0.00020 2.69252 2.64229 2.05936 2.69260 2.68398 2.59919 2.04654 2.61287 2.05303 2.67343 2.04959 2.66424 2.04615 2.52942 2.71077 2.70948 2.58326 2.05325 2.58289 2.04645 2.71121 2.04423 2.71538 2.04448 2.54267 2.06952 2.06944 2.05880 2.71307 2.77388 2.77354 2.06972 2.06855 2.05674 2.06933 2.06907 2.05662 2.29369 1.98987 1.99961 2.18155 2.05220 2.04893 2.11170 2.09557 2.07400 2.13044 2.07578 2.07655 2.10160 2.11826 2.06308 2.08069 2.08971 2.11273 2.09127 2.01400 2.17769 2.06289 2.18775 2.03202 2.13550 2.07081 2.07640 2.12608 2.08866 2.06649 2.10506 2.07844 2.09967 2.11412 2.07322 2.09553 2.05071 2.11760 2.11466 1.92196 1.91630 1.93396 1.91622 1.93410 1.83974 2.10844 2.10535 2.06937 1.93609 1.93417 1.90248 1.90566 1.89194 1.89250 1.93584 1.93341 1.90334 1.90486 1.89321 1.89222 2.08628 0.33364 -2.84303 -2.81293 0.29358 -2.94376 0.23400 0.20284 -2.90258 -3.13126 0.07746 0.04536 -3.02911 3.10986 -0.00061 -0.06410 3.10861 0.00069 -3.11655 3.07597 -0.04126 0.03552 -3.11640 -3.13720 -0.00594 -0.03093 3.13235 3.08706 -0.03284 0.01297 3.13070 -3.11816 -0.00042 3.12322 0.00454 3.10063 -0.00748 -0.07390 3.10117 -3.12301 0.08693 0.05418 -3.01906 0.03051 -3.11724 3.13853 -0.00923 0.00801 -3.10609 3.08209 -0.03201 0.03372 -3.12999 -3.10164 0.01783 -0.05292 3.11075 3.06083 -0.05868 -3.13305 0.00109 -0.01438 3.11975 1.06658 -1.07247 3.13866 1.08604 -1.03379 -3.11522 -2.04824 2.11511 0.03368 -1.07546 1.04268 3.12385 2.05884 -2.10621 -0.02503 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000005 0.000002 0.000935 0.000148 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.823649e-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 R35 R36 R37 1 1 1 2 2 3 3 4 4 5 5 7 7 9 12 12 13 13 14 14 15 15 17 17 19 21 21 21 21 24 24 25 25 25 26 26 26 2 12 35 3 4 5 6 7 8 9 10 9 11 36 13 14 15 16 17 18 19 31 19 20 24 22 23 32 36 25 26 27 28 34 29 30 33 1.4248 1.3982 1.0898 1.4249 1.4203 1.3754 1.083 1.3827 1.0864 1.4147 1.0846 1.4099 1.0828 1.3385 1.4345 1.4338 1.367 1.0865 1.3668 1.0829 1.4347 1.0818 1.4369 1.0819 1.3455 1.0951 1.0951 1.0895 1.4357 1.4679 1.4677 1.0952 1.0946 1.0884 1.095 1.0949 1.0883 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A58 A59 A60 A61 2 2 12 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 1 1 13 12 12 15 12 12 17 13 13 19 14 14 19 15 15 17 22 22 22 23 23 32 19 19 25 24 24 24 27 27 28 24 24 24 29 29 30 9 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 12 12 12 13 13 13 14 14 14 15 15 15 17 17 17 19 19 19 21 21 21 21 21 21 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 36 12 35 35 3 4 4 5 6 6 7 8 8 9 10 10 9 11 11 7 36 36 13 14 14 15 16 16 17 18 18 19 31 31 19 20 20 17 24 24 23 32 36 32 36 36 25 26 26 27 28 34 28 34 34 29 30 33 30 33 33 21 131.4183 114.0128 114.5685 124.9937 117.5828 117.3947 120.9918 120.0668 118.8321 122.0653 118.9331 118.9781 120.4131 121.367 118.2057 119.2157 119.7319 121.0496 119.8196 115.3951 124.7724 118.1938 125.3489 116.4272 122.3543 118.649 118.9695 121.8145 119.6724 118.4008 120.6106 119.0855 120.303 121.1297 118.786 120.0656 117.4978 121.3291 121.1608 110.1188 109.7966 110.8083 109.7915 110.8158 105.4091 120.8039 120.6275 118.5672 110.9295 110.82 109.0044 109.185 108.3994 108.4338 110.9154 110.7769 109.0528 109.1397 108.4737 108.4163 119.5352 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 12 12 35 35 2 2 35 35 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 10 10 4 4 11 11 5 7 1 1 14 14 1 1 13 13 12 12 16 16 12 12 18 18 13 13 31 31 14 14 20 20 15 15 17 17 22 23 32 19 19 19 26 26 26 19 19 19 25 25 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 9 9 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 21 21 21 24 24 24 24 24 24 24 24 24 24 24 2 2 2 2 12 12 12 12 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 9 9 9 9 36 36 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 19 19 19 19 24 24 24 24 36 36 36 25 25 25 25 25 25 26 26 26 26 26 3 4 3 4 13 14 13 14 5 6 5 6 7 8 7 8 9 10 9 10 9 11 9 11 7 36 7 36 5 36 5 36 21 21 15 16 15 16 17 18 17 18 19 31 19 31 19 20 19 20 17 24 17 24 15 24 15 24 25 26 25 26 9 9 9 27 28 34 27 28 34 29 30 33 29 30 19.1125 -162.8981 -161.1712 16.8182 -168.6617 13.4103 11.6232 -166.3048 -179.4088 4.4371 2.5984 -173.5558 178.1833 -0.0348 -3.6717 178.1102 0.0398 -178.5654 176.2406 -2.3647 2.0338 -178.5581 -179.7489 -0.3408 -1.7729 179.4684 176.8757 -1.883 0.7441 179.379 -178.656 -0.021 178.9473 0.2583 177.6523 -0.4297 -4.2349 177.6832 -178.9362 4.9793 3.1031 -172.9814 1.7503 -178.6037 179.8263 -0.5277 0.4603 -177.9677 176.5928 -1.8351 1.9302 -179.3366 -177.7115 1.0217 -3.0319 178.2326 175.3761 -3.3593 -179.5072 0.0709 -0.8203 178.7577 61.1106 -61.4468 179.833 62.2027 -59.2534 -178.5132 -117.3838 121.16 1.9002 -61.6355 59.7244 178.9669 117.9518 -120.6883 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0298813636 PCM (using non-symmetric T matrix) UFF Total charges None On-the-fly selection PMMA 3.900000 2.222000 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 0 0 0 0 222.17729999999997 AuxInfo=1/0/N:25,26,21,13,14,3,4,15,17,5,7,1,12,2,19,9,24,36/E:(1,2)(4,5)(6,7)(8,9)(10,11)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:36nC3C3C3C3C3HC3HC3HHC3C3C3C3HC3HC3HCHHNCCHHHHHHHHHO/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s5;s7;s1;s12;s12;s13;s13;s14;s14;s15s17;s17;;s21;s21;s19;s24;s24;s25;s25;s26;s26;s15;s21;s26;s25;s1;s9s21;/rC:-.0702,-.3967,1.3012;.0286,-1.6703,.665;.5093,-1.8882,-.6575;-.3433,-2.8123,1.4217;.5575,-3.155,-1.194;.9005,-1.0614,-1.2372;-.3186,-4.0879,.8863;-.6841,-2.6779,2.4443;.1274,-4.2695,-.4378;.9427,-3.3287,-2.193;-.6316,-4.9295,1.4911;-.0993,.898,.7786;.0253,1.9985,1.6918;-.2858,1.2333,-.604;.0537,3.2983,1.2716;.1311,1.7849,2.7517;-.2778,2.5287,-1.0379;-.5,.4514,-1.3217;-.0751,3.6181,-.1218;-.4572,2.7286,-2.0858;-.1879,-6.6449,-.3624;-1.2424,-6.5949,-.0716;.438,-6.803,.5221;-.0343,4.8903,-.5534;-.1527,5.2045,-1.9825;.1171,5.9985,.3973;-1.1379,4.9181,-2.3658;.6213,4.6878,-2.5578;-.7081,6.0093,1.1164;1.0651,5.919,.9393;.1743,4.0855,2.0036;-.0387,-7.4597,-1.0702;.1099,6.9387,-.1505;-.0261,6.2766,-2.1203;-.1403,-.4483,2.3873;.2067,-5.4543,-1.0613; 0.000000 1.427147 0.000000 2.529290 1.423954 0.000000 2.434037 1.419538 2.429837 0.000000 3.772058 2.437157 1.376535 2.787551 0.000000 2.797750 2.179237 1.082854 3.417913 2.121964 0.000000 3.722723 2.452334 2.811974 1.383541 2.442361 3.892875 0.000000 2.624422 2.165474 3.416074 1.086314 3.873826 4.321732 2.132872 0.000000 4.249923 2.825151 2.421657 2.408850 1.413746 3.395314 1.408968 3.390962 0.000000 4.672482 3.428369 2.149491 3.871207 1.084711 2.460873 3.413087 4.957310 2.151828 0.000000 4.571437 3.426479 3.894602 2.137858 3.431094 4.975240 1.082684 2.445671 2.175451 4.314363 0.000000 1.396474 2.574000 3.193095 3.773534 4.555126 2.983618 4.991814 3.987937 5.313525 5.270737 5.894993 0.000000 2.428675 3.809805 4.567325 4.832473 5.930415 4.325275 6.149032 4.789352 6.620658 6.656748 6.961975 1.435519 0.000000 2.516539 3.184344 3.221641 4.524776 4.507385 2.659652 5.525985 4.974762 5.520750 4.984552 6.518390 1.434776 2.439884 0.000000 3.697151 5.005568 5.552396 6.125342 6.926618 5.100768 7.405543 6.134684 7.758765 7.530629 8.259224 2.455191 1.366347 2.810196 0.000000 2.627523 4.037794 5.025759 4.809248 6.336675 4.960329 6.178309 4.547046 6.843163 7.159464 6.874199 2.175592 1.086368 3.426206 2.118280 0.000000 3.751275 4.541501 4.502596 5.880480 5.746883 3.783756 6.890760 6.276885 6.836602 6.093663 7.883270 2.447534 2.797187 1.366151 2.456781 3.883489 0.000000 2.789924 2.954328 2.633196 4.266454 3.760436 2.063245 5.051038 4.899959 4.843706 4.138782 6.073207 2.184283 3.427955 1.082770 3.890575 4.332386 2.108328 0.000000 4.259464 5.347595 5.563075 6.618472 6.886538 4.908481 7.775382 6.826049 7.896452 7.320039 8.716221 2.865318 2.433597 2.442129 1.435406 3.414698 1.437706 3.412924 0.000000 4.624847 5.210925 4.928464 6.558789 6.036777 4.114374 7.437551 7.057217 7.213270 6.217929 8.454141 3.418177 3.877690 2.112175 3.443486 4.963718 1.081822 2.402395 2.189601 0.000000 6.466949 5.084137 4.816514 4.230297 3.664155 5.755403 2.848626 4.884778 2.397421 3.953016 2.564140 7.629168 8.886668 7.882465 10.079414 8.992270 9.198821 7.167609 10.266363 9.534428 0.000000 6.455732 5.138995 5.056153 4.164828 4.041303 6.047311 2.838342 4.688752 2.723645 4.465807 2.364012 7.627082 8.863553 7.904363 10.067711 8.948666 9.225169 7.194736 10.279561 9.570888 1.095061 0.000000 6.473464 5.150909 5.054801 4.164707 4.033158 6.022791 2.841980 4.687260 2.726972 4.438102 2.364893 7.723916 8.888415 8.146960 10.136292 8.877896 9.488158 7.543535 10.453479 9.922386 1.095015 1.794322 0.000000 5.602980 6.673142 6.801145 7.957867 8.092510 6.063402 9.097339 8.166201 9.161976 8.437739 10.048227 4.209191 3.661619 3.666047 2.423412 4.538157 2.423118 4.528964 1.344118 2.683310 11.537820 11.558649 11.752146 0.000000 6.493291 7.369217 7.245741 8.711741 8.426622 6.397378 9.726529 9.056024 9.603158 8.605786 10.723532 5.115908 4.879672 4.205782 3.776976 5.846997 2.840424 4.811361 2.446450 2.496642 11.959658 12.002693 12.280096 1.468056 0.000000 6.461438 7.673994 7.966609 8.882110 9.301232 7.288847 10.107579 8.950520 10.301866 9.715314 11.008115 5.119312 4.205271 4.885896 2.838925 4.826775 3.775605 5.840035 2.443942 4.145780 12.669829 12.675218 12.806065 1.467881 2.523255 0.000000 6.544734 7.345294 7.208140 8.644964 8.332010 6.417395 9.610097 9.002342 9.472535 8.506920 10.588085 5.208342 5.132410 4.172266 4.156260 6.133231 2.865731 4.631217 2.802727 2.309820 11.773587 11.739775 12.173966 2.122209 1.095248 3.221393 0.000000 6.420443 7.152857 6.845991 8.545097 7.960770 5.905533 9.474023 8.998836 9.217953 8.031196 10.509829 5.100340 5.064328 4.071103 4.113084 6.071130 2.789337 4.553259 2.750196 2.285661 11.571668 11.702716 11.897742 2.118666 1.094132 3.271860 1.784589 0.000000 6.440288 7.728055 8.185332 8.834426 9.535407 7.623738 10.107259 8.788114 10.429108 10.043640 10.945496 5.158497 4.117709 5.093921 2.820279 4.606949 4.115878 6.072694 2.766179 4.591225 12.750874 12.671286 12.877111 2.119932 3.249507 1.094632 3.674401 4.124759 0.000000 6.427080 7.664676 7.988210 8.857327 9.335223 7.313700 10.102186 8.901178 10.323777 9.764517 10.994247 5.156768 4.125272 5.114922 2.828674 4.609522 4.148116 6.120159 2.778550 4.652656 12.693104 12.764934 12.744212 2.120134 3.245140 1.094906 4.096264 3.734053 1.784349 0.000000 4.543426 5.911206 6.548214 6.941632 7.924404 6.125389 8.264048 6.831840 8.704470 8.554041 9.065445 3.425744 2.115402 3.891804 1.081695 2.419522 3.446535 4.971818 2.190454 4.354666 10.994060 10.971936 10.991913 2.688788 4.153137 2.498635 4.637592 4.622725 2.294984 2.299571 0.000000 7.450607 6.044228 5.613582 5.282107 4.347556 6.469036 3.908437 5.969491 3.256582 4.391965 3.648822 8.559969 9.853474 8.709021 11.010341 10.004989 9.991328 7.928554 11.118375 10.247418 1.089616 1.787245 1.787192 12.360895 12.697559 13.538891 12.493855 12.256043 13.661754 13.573756 11.949291 0.000000 7.479791 8.647929 8.850491 9.887335 10.157380 8.112185 11.083456 9.992096 11.211853 10.501640 12.004134 6.115307 5.273223 5.737053 3.908699 5.914778 4.515076 6.620323 3.325901 4.668143 13.588470 13.601195 13.761997 2.092559 2.536303 1.088153 3.247743 3.335213 1.771391 1.771985 3.575626 14.428532 0.000000 7.499424 8.421072 8.312087 9.759865 9.494955 7.448812 10.795694 10.072340 10.680532 9.654283 11.789252 6.110516 5.730409 5.272729 4.514631 6.628502 3.909207 5.898745 3.326313 3.574206 13.041490 13.090140 13.351855 2.092155 1.088305 2.537005 1.772577 1.770552 3.318577 3.268071 4.674213 13.776407 2.082618 0.000000 1.089561 2.118514 3.430193 2.561659 4.542947 3.820421 3.940912 2.295618 4.759610 5.517979 4.596250 2.098161 2.549119 3.434633 3.914030 2.279017 4.540184 3.833488 4.778640 5.495652 6.779380 6.711231 6.647890 6.095933 7.144931 6.751883 7.237796 7.170361 6.605950 6.640208 4.560877 7.818202 7.814793 8.096696 0.000000 5.589095 4.162979 3.601621 3.667117 2.329688 4.450840 2.436443 4.559786 1.341227 2.518103 2.737316 6.620463 7.947141 6.721298 9.059470 8.182396 7.997731 5.953549 9.125251 8.273537 1.435793 2.092932 2.092691 10.359943 10.704596 11.545669 10.540209 10.260304 11.704414 11.579796 10.020102 2.020382 12.426817 11.780922 6.088757 0.000000 1.6027429 0.1367912 0.1273264 -10.27026 -10.26032 -10.26000 -10.25315 -10.25262 -10.25246 -10.25012 -10.24900 -10.24612 -10.24307 -10.24064 -10.23610 -10.23422 -1.11608 -1.01799 -0.91633 -0.90005 -0.84388 -0.81065 -0.80615 -0.79694 -0.77161 -0.76234 -0.73331 -0.68432 -0.66698 -0.65301 -0.63687 -0.61596 -0.58076 -0.57445 -0.54912 -0.54455 -0.52330 -0.51717 -0.50827 -0.50623 -0.49141 -0.48960 -0.47856 -0.47165 -0.46398 -0.45693 -0.45400 -0.44690 -0.43620 -0.43248 -0.42670 -0.42163 -0.41932 -0.40058 -0.38379 -0.38356 -0.36853 -0.35474 -0.31161 -0.30403 -0.29656 -0.25029 -0.14831 -0.05093 -0.04798 -0.04627 0.01148 0.05144 0.05992 0.06652 0.07088 0.08142 0.08617 0.09603 0.10031 0.11055 0.11383 0.12242 0.12315 0.13092 0.13380 0.13542 0.13729 0.14119 0.14477 0.15616 0.15684 0.17467 0.18769 0.20460 0.20501 0.21204 0.22864 0.25102 0.26843 0.27624 0.27849 0.29646 0.31490 0.33628 0.35351 0.36968 0.41755 0.43073 0.44768 0.45540 0.46163 0.46383 0.47708 0.48146 0.48476 0.49169 0.50374 0.50986 0.51609 0.51696 0.52170 0.52978 0.53685 0.53982 0.54268 0.54945 0.55202 0.55816 0.56306 0.56670 0.58218 0.58966 0.59895 0.61396 0.62665 0.63534 0.64875 0.65239 0.66618 0.69370 0.69495 0.70729 0.73305 0.74320 0.75574 0.76301 0.78146 0.78572 0.78902 0.79156 0.81040 0.81788 0.82003 0.83150 0.83290 0.83489 0.84324 0.85200 0.85786 0.87472 0.88090 0.89010 0.90186 0.90643 0.90913 0.91483 0.92240 0.92816 0.93479 0.95655 0.95702 0.96278 0.98524 1.00058 1.00699 1.01942 1.04634 1.05393 1.07546 1.09202 1.12330 1.12802 1.13672 1.14791 1.16806 1.19355 1.21366 1.21744 1.24713 1.27584 1.28877 1.31761 1.32328 1.33129 1.34954 1.35648 1.37168 1.38315 1.39773 1.40653 1.41357 1.41776 1.43411 1.44305 1.45875 1.46389 1.47772 1.48953 1.54588 1.56499 1.60477 1.64836 1.68980 1.71925 1.73146 1.76485 1.78851 1.79701 1.80496 1.81392 1.82885 1.83637 1.85268 1.85902 1.86230 1.87223 1.90621 1.91323 1.92230 1.93258 1.93730 1.95559 1.96818 1.97494 2.00183 2.01898 2.01949 2.05187 2.05740 2.05965 2.06606 2.08436 2.10304 2.10633 2.10994 2.11451 2.15432 2.16576 2.17216 2.19249 2.21424 2.24406 2.24872 2.27089 2.27286 2.28213 2.28850 2.29992 2.31447 2.32089 2.34380 2.38258 2.46132 2.46565 2.49506 2.50211 2.50624 2.51609 2.54545 2.58345 2.59170 2.60675 2.61451 2.63520 2.65038 2.67977 2.72530 2.75527 2.77046 2.79672 2.83466 2.86091 2.88461 2.93239 2.94423 3.07774 3.14627 3.20791 3.35432 3.37891 3.97216 3.99323 4.02266 4.04349 4.06987 4.07418 4.09102 4.13814 4.19511 4.23171 4.26743 4.27935 4.29242 4.31856 4.39357 4.48747 4.66677 4.74747 -0.6272 4.3512 0.7544 4.4604 -106.4026 12.1195 -85.2568 3.7523 -1.0705 -10.6118 -46.5560 71.9662 -25.4102 3.7523 -1.0705 -10.6118 5.4891 54.2814 5.6365 -19.9758 -3.9156 -3.7770 0.0929 27.4681 -13.7073 10.6681 -175.2451 -5031.4087 -811.2901 29.4997 23.6784 179.4110 -206.7249 13.4683 -5.7113 -1633.7651 -180.1899 -1535.4646 12.4230 11.7300 7.9616 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 0 0 0 0 222.17729999999997 AuxInfo=1/0/N:25,26,21,13,14,3,4,15,17,5,7,1,12,2,19,9,24,36/E:(1,2)(4,5)(6,7)(8,9)(10,11)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:36nC3C3C3C3C3HC3HC3HHC3C3C3C3HC3HC3HCHHNCCHHHHHHHHHO/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s5;s7;s1;s12;s12;s13;s13;s14;s14;s15s17;s17;;s21;s21;s19;s24;s24;s25;s25;s26;s26;s15;s21;s26;s25;s1;s9s21;/rC:-.0908,-.3985,1.3056;.0166,-1.6694,.6704;.5085,-1.8842,-.6494;-.3568,-2.8144,1.4232;.5653,-3.149,-1.1869;.9029,-1.0548,-1.2232;-.3242,-4.0883,.8866;-.7058,-2.6818,2.4435;.1329,-4.2668,-.4351;.96,-3.3223,-2.1822;-.6393,-4.9323,1.4873;-.1133,.8981,.7826;.0164,1.9986,1.6935;-.2987,1.232,-.5994;.0525,3.298,1.2704;.12,1.7875,2.7542;-.287,2.5273,-1.0356;-.5162,.4493,-1.3155;-.0772,3.6167,-.1225;-.4649,2.7255,-2.0842;-.1717,-6.6438,-.3699;-1.2295,-6.6012,-.0897;.4474,-6.8021,.5194;-.0304,4.8895,-.5562;-.1751,5.2033,-1.9828;.1574,5.9956,.3901;-1.1571,4.8914,-2.3544;.6053,4.71,-2.5708;-.6675,6.0393,1.109;1.1016,5.8857,.9334;.1747,4.0859,2.0015;-.0105,-7.4537,-1.0805;.1848,6.9337,-.1608;-.0816,6.2789,-2.1204;-.1739,-.4507,2.3909;.2219,-5.4475,-1.0592; 0.000000 1.424821 0.000000 2.527633 1.424868 0.000000 2.433393 1.420299 2.431011 0.000000 3.769456 2.437281 1.375432 2.788357 0.000000 2.795221 2.179292 1.082980 3.418612 2.121633 0.000000 3.720870 2.452374 2.812578 1.382671 2.443930 3.893518 0.000000 2.624248 2.165768 3.417117 1.086416 3.874733 4.322034 2.132509 0.000000 4.247801 2.825295 2.421435 2.408826 1.414720 3.395724 1.409856 3.391399 0.000000 4.670946 3.429249 2.149692 3.871776 1.084599 2.462654 3.413671 4.957980 2.151331 0.000000 4.570456 3.426946 3.895305 2.137556 3.432525 4.975974 1.082773 2.446034 2.175965 4.314458 0.000000 1.398242 2.573157 3.190413 3.775222 4.551776 2.978201 4.991911 3.990644 5.312150 5.268169 5.896267 0.000000 2.430647 3.807980 4.561591 4.835066 5.924224 4.314653 6.149619 4.794886 6.618122 6.650074 6.964894 1.434475 0.000000 2.516075 3.182696 3.219458 4.524114 4.503872 2.657474 5.523947 4.974188 5.518080 4.983060 6.516732 1.433799 2.438084 0.000000 3.699444 5.003608 5.545235 6.128047 6.918524 5.088033 7.405877 6.140842 7.755072 7.521481 8.262157 2.454632 1.367004 2.808575 0.000000 2.630839 4.037643 5.021690 4.814200 6.332464 4.950896 6.181443 4.555599 6.842942 7.154276 6.880170 2.175493 1.086527 3.425009 2.118495 0.000000 3.752272 4.540283 4.499254 5.880822 5.741913 3.779137 6.889240 6.278035 6.833405 6.089907 7.882459 2.447482 2.796264 1.366808 2.454966 3.882713 0.000000 2.787461 2.952364 2.634218 4.263532 3.759528 2.069932 5.047335 4.895869 4.841215 4.141870 6.068892 2.183078 3.426089 1.082933 3.889189 4.331087 2.109252 0.000000 4.261606 5.346024 5.557096 6.620183 6.879043 4.898460 7.774728 6.830143 7.892463 7.312195 8.717344 2.865561 2.434019 2.442046 1.434712 3.414701 1.436922 3.413046 0.000000 4.624903 5.209071 4.925024 6.557753 6.031304 4.111274 7.434580 7.056669 7.208912 6.214174 8.451431 3.417809 3.876897 2.112530 3.442169 4.963052 1.081888 2.403059 2.189269 0.000000 6.466697 5.085571 4.816055 4.232454 3.663905 5.755053 2.851778 4.888494 2.397392 3.949373 2.568483 7.629662 8.887338 7.880146 10.078742 8.996223 9.195919 7.164126 10.263948 9.529364 0.000000 6.458925 5.143342 5.058062 4.170189 4.042629 6.049420 2.843874 4.696035 2.724954 4.463587 2.370795 7.631919 8.870709 7.904738 10.074152 8.959891 9.225613 7.191704 10.282755 9.568174 1.095141 0.000000 6.474145 5.153035 5.055244 4.167165 4.033678 6.023007 2.845171 4.691324 2.727296 4.435152 2.369409 7.725074 8.889184 8.145861 10.135729 8.881608 9.486552 7.541768 10.451766 9.919005 1.095098 1.795440 0.000000 5.606528 6.672782 6.795838 7.960890 8.085263 6.053988 9.097780 8.171901 9.158556 8.429664 10.050586 4.210835 3.663405 3.667658 2.424107 4.539200 2.424051 4.530848 1.345521 2.684487 11.535729 11.562566 11.750765 0.000000 6.496234 7.369546 7.244234 8.713113 8.422799 6.395520 9.725733 9.058108 9.600654 8.603167 10.723192 5.117282 4.880754 4.207231 3.776963 5.847621 2.840970 4.812759 2.447024 2.496759 11.956426 12.001770 12.279230 1.467871 0.000000 6.464009 7.671331 7.955835 8.885244 9.288547 7.270876 10.107554 8.958719 10.295471 9.699669 11.011617 5.119739 4.206422 4.886618 2.839469 4.826827 3.776142 5.841603 2.444722 4.147603 12.666482 12.681979 12.801626 1.467685 2.523715 0.000000 6.520365 7.319176 7.182636 8.619180 8.305291 6.393718 9.582916 8.976449 9.445588 8.483875 10.560786 5.184271 5.111759 4.148268 4.140169 6.112535 2.843490 4.606768 2.787931 2.289782 11.746057 11.713819 12.147889 2.121979 1.095245 3.237200 0.000000 6.450386 7.179700 6.869116 8.572886 7.980021 5.927613 9.498793 9.027778 9.239366 8.049488 10.535161 5.127614 5.087456 4.098810 4.129660 6.093638 2.813785 4.581183 2.766854 2.306592 11.591214 11.724560 11.920689 2.120159 1.094633 3.258913 1.784865 0.000000 6.466551 7.751374 8.201088 8.864761 9.550746 7.630939 10.135869 8.822742 10.451793 10.055866 10.978125 5.181307 4.139599 5.115196 2.838848 4.626541 4.132622 6.095059 2.780992 4.606367 12.778679 12.709672 12.903221 2.121486 3.240484 1.095042 3.681393 4.114390 0.000000 6.407168 7.637141 7.951719 8.835145 9.295733 7.270561 10.075546 8.885414 10.290014 9.721893 10.971180 5.135730 4.106708 5.095891 2.812561 4.590709 4.133354 6.101671 2.766390 4.641869 12.661351 12.743832 12.711467 2.119666 3.255817 1.094899 4.110991 3.729397 1.784415 0.000000 4.545802 5.909284 6.540762 6.944877 7.915994 6.111925 8.264949 6.839066 8.700901 8.544098 9.069406 3.425041 2.115799 3.890217 1.081760 2.419136 3.444771 4.970421 2.189705 4.353446 10.994101 10.979955 10.991816 2.688849 4.152839 2.498748 4.625624 4.634781 2.306863 2.289011 0.000000 7.448279 6.043651 5.610216 5.283157 4.344348 6.465429 3.910761 5.972667 3.254842 4.384548 3.653320 8.557718 9.851044 8.703787 11.005963 10.006124 9.984918 7.922651 11.112030 10.238683 1.089471 1.787306 1.787214 12.354427 12.690241 13.530507 12.463511 12.270124 13.685319 13.536416 11.945560 0.000000 7.482485 8.644786 8.837434 9.890856 10.141984 8.090753 11.083377 10.001732 11.203963 10.482039 12.008206 6.116215 5.274640 5.739016 3.909501 5.914847 4.517174 6.623676 3.327568 4.672326 13.583835 13.608827 13.755196 2.093175 2.538441 1.088317 3.283863 3.306065 1.771669 1.770914 3.575743 14.418157 0.000000 7.505009 8.424567 8.315591 9.763283 9.496100 7.453639 10.797212 10.075392 10.681625 9.657736 11.790527 6.114073 5.733756 5.275626 4.516775 6.631410 3.910746 5.900969 3.328537 3.574201 13.041054 13.089646 13.355220 2.092773 1.088378 2.537760 1.771055 1.770942 3.290876 3.298562 4.676043 13.772137 2.083237 0.000000 1.089766 2.116939 3.429952 2.560647 4.541844 3.819258 3.939220 2.294215 4.758435 5.517717 4.595339 2.099944 2.553861 3.433550 3.919214 2.286499 4.541185 3.829491 4.782342 5.495433 6.780583 6.715375 6.650464 6.101235 7.148316 6.757813 7.212711 7.201344 6.633842 6.625906 4.566654 7.817906 7.821172 8.102420 0.000000 5.584182 4.160338 3.598194 3.664761 2.327498 4.448266 2.435533 4.558321 1.338514 2.514424 2.737108 6.615983 7.941328 6.715502 9.052091 8.179118 7.991027 5.948329 9.117417 8.265623 1.435699 2.092285 2.092343 10.352370 10.698177 11.534679 10.510559 10.276501 11.723458 11.540678 10.012807 2.019752 12.413857 11.778251 6.085066 0.000000 1.5992700 0.1368780 0.1274320 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 301 301 301 301 301 MxSgAt= 36 MxSgA2= 36. 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. NBasis= 306 RedAO= T EigKep= 4.18D-04 NBF= 306 NBsUse= 306 1.00D-06 EigRej= -1.00D+00 NBFU= 306 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 301 301 301 301 301 MxSgAt= 36 MxSgA2= 36. 1 -2.46761749e-01 1.71187599e+00 2.96808156e-01 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 6 6 6 6 6 1 6 1 6 1 1 6 6 6 6 1 6 1 6 1 6 1 1 7 6 6 1 1 1 1 1 1 1 1 1 8 0.000029896 -0.001641798 -0.000512591 0.000004193 0.001163426 0.000677845 -0.000075549 -0.000776352 -0.000517610 0.000105829 -0.000739803 -0.000058428 0.000145114 0.000969011 -0.000228719 0.000090854 0.000029835 0.000047084 -0.000150998 0.000628032 0.000591534 -0.000023010 0.000033145 0.000054215 0.000108676 -0.001752418 -0.000853155 -0.000022481 -0.000167554 0.000108710 -0.000059100 -0.000012089 0.000004857 0.000043249 0.001010301 -0.000200098 0.000010668 -0.000521134 -0.000413903 0.000058700 -0.000223651 0.000550421 -0.000047545 0.000239707 -0.000441782 0.000020112 0.000047218 0.000104277 0.000112305 0.000418252 0.000271020 -0.000050843 -0.000091144 0.000027823 -0.000059156 -0.000885958 0.000326925 -0.000022295 0.000005641 -0.000050329 0.000080123 -0.000051188 -0.000187033 -0.000113220 0.000032199 -0.000106430 0.000152478 -0.000013085 0.000008679 0.000065992 0.000748907 -0.000244787 -0.000021589 -0.000098224 0.000245690 -0.000006542 -0.000208775 -0.000115915 -0.000117506 0.000041072 -0.000105545 0.000092126 0.000081814 -0.000107364 -0.000066410 0.000058963 0.000090076 0.000125216 0.000040653 0.000034637 -0.000041197 0.000090563 -0.000008733 0.000009704 0.000091763 0.000012829 -0.000009399 0.000074779 0.000079414 0.000015304 0.000090123 -0.000133308 -0.000195156 -0.000109607 0.000074300 -0.000188543 0.001397379 0.000975395 0.001752418 0.000421058 (Enter /mnt/data/applications/G09/g09/l716.exe) Closed 1 1 1 -750.361542069247 -750.361542546801 -0.000000477554 -750.361542551446 -0.000000004644 -750.361542552353 -0.000000000907 -750.361542552565 -0.000000000212 -750.361542552604 -0.000000000039 -750.361542553 6 7.430354934351e+02 -4.076238226901e+03 1.406090119192e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep R1 ints in memory in canonical form, NReq=1118184364. IVT= 556390 IEndB= 556390 NGot= 5502926848 MDV= 4399209553 LenX= 4399209553 LenY= 4399115476 Requested convergence on RMS density matrix=1.00D-08 within 512 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. 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= 46971 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. (Enter /mnt/data/applications/G09/g09/l716.exe) PT10376.100S 2024-07-12T08:58:15.000 Mulliken charges: 1 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 C C C C C H C H C H H C C C C H C H C H C H H N C C H H H H H H H H H O -0.248503 0.165822 -0.171987 -0.173010 -0.176146 0.174735 -0.193573 0.177784 0.404144 0.177437 0.179341 0.179713 -0.169008 -0.172590 -0.183449 0.180555 -0.182626 0.180824 0.398809 0.179766 -0.240157 0.182299 0.182925 -0.453406 -0.337200 -0.337176 0.198965 0.198741 0.198927 0.199052 0.179146 0.199085 0.197798 0.197966 0.190163 -0.485171 1.00000 -10.27075 -10.25991 -10.25962 -10.25284 -10.25222 -10.25208 -10.25026 -10.24935 -10.24637 -10.24262 -10.24027 -10.23639 -10.23441 -1.11764 -1.01705 -0.91634 -0.90002 -0.84388 -0.81012 -0.80644 -0.79713 -0.77110 -0.76265 -0.73313 -0.68426 -0.66702 -0.65296 -0.63679 -0.61584 -0.58067 -0.57462 -0.54902 -0.54462 -0.52357 -0.51649 -0.50803 -0.50707 -0.49126 -0.48952 -0.47815 -0.47190 -0.46409 -0.45723 -0.45351 -0.44645 -0.43606 -0.43234 -0.42631 -0.42179 -0.41948 -0.40067 -0.38413 -0.38345 -0.36864 -0.35454 -0.31107 -0.30447 -0.29656 -0.24995 -0.14832 -0.05071 -0.04804 -0.04628 0.01148 0.05172 0.06002 0.06686 0.07103 0.08109 0.08632 0.09619 0.10020 0.11087 0.11364 0.12271 0.12373 0.13095 0.13429 0.13566 0.13627 0.14154 0.14452 0.15639 0.15670 0.17475 0.18761 0.20494 0.20499 0.21222 0.22933 0.25038 0.26855 0.27640 0.27873 0.29651 0.31497 0.33628 0.35373 0.36963 0.41754 0.43045 0.44810 0.45551 0.46190 0.46385 0.47706 0.48124 0.48473 0.49179 0.50356 0.50984 0.51605 0.51725 0.52174 0.52963 0.53675 0.53999 0.54253 0.54989 0.55160 0.55793 0.56315 0.56660 0.58207 0.59007 0.59870 0.61423 0.62657 0.63510 0.64912 0.65275 0.66690 0.69277 0.69561 0.70713 0.73397 0.74280 0.75691 0.76302 0.78155 0.78563 0.78904 0.79177 0.81017 0.81769 0.82007 0.83142 0.83315 0.83463 0.84295 0.85169 0.85758 0.87485 0.88101 0.89079 0.90206 0.90605 0.90928 0.91505 0.92221 0.92821 0.93507 0.95583 0.95719 0.96224 0.98513 1.00002 1.00698 1.02011 1.04685 1.05355 1.07490 1.09238 1.12257 1.12775 1.13646 1.14768 1.16781 1.19346 1.21373 1.21748 1.24678 1.27597 1.28911 1.31853 1.32321 1.33045 1.34965 1.35782 1.37217 1.38302 1.39721 1.40612 1.41404 1.41763 1.43436 1.44275 1.45895 1.46379 1.47736 1.48951 1.54598 1.56505 1.60460 1.64783 1.69131 1.71819 1.73223 1.76487 1.78868 1.79783 1.80568 1.81426 1.82865 1.83599 1.85242 1.85874 1.86153 1.87228 1.90642 1.91430 1.92121 1.93212 1.93743 1.95564 1.96819 1.97514 2.00207 2.01921 2.01965 2.05185 2.05738 2.05975 2.06573 2.08382 2.10293 2.10716 2.11066 2.11464 2.15484 2.16512 2.17295 2.19145 2.21393 2.24444 2.24848 2.27175 2.27333 2.28185 2.28911 2.29930 2.31394 2.32072 2.34382 2.38245 2.46174 2.46591 2.49555 2.50219 2.50641 2.51685 2.54492 2.58413 2.59272 2.60669 2.61442 2.63562 2.65082 2.67935 2.72543 2.75559 2.77027 2.79671 2.83519 2.86103 2.88515 2.93258 2.94410 3.07788 3.14705 3.20764 3.35531 3.37824 3.97292 3.99234 4.02329 4.04368 4.06992 4.07430 4.09112 4.13866 4.19472 4.23239 4.26740 4.27994 4.29241 4.31903 4.39409 4.48766 4.66681 4.74729 Mulliken charges: 1 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 C C C C C H C H C H H C C C C H C H C H C H H N C C H H H H H H H H H O -0.248028 0.166155 -0.171627 -0.172346 -0.176042 0.175199 -0.193647 0.178117 0.404372 0.177690 0.179601 0.178729 -0.169209 -0.173316 -0.183686 0.180186 -0.182866 0.180639 0.398586 0.179306 -0.240376 0.182805 0.183373 -0.453729 -0.337081 -0.336990 0.198447 0.198355 0.198441 0.198657 0.178803 0.199524 0.197511 0.197761 0.190223 -0.483536 1.00000 -2.45704209e-01 1.62552596e+00 2.92909670e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.6245 4.1317 0.7445 4.2444 -106.3390 12.3259 -85.3208 3.8418 -1.0739 -10.4984 -46.5610 72.1039 -25.5429 3.8418 -1.0739 -10.4984 6.0812 47.3333 5.4254 -18.2294 -4.1105 -3.9078 -0.0902 26.9932 -14.8295 11.1583 -177.7228 -5014.2814 -811.1998 30.6126 24.1413 182.2024 -200.1773 13.4641 -4.0933 -1632.2313 -180.2580 -1534.0447 12.8316 13.3975 7.9648 0 -750.3615426 8.764E-9 2.626E-6 -34.6169633,53.6074729,-18.9905096,2.8562929,-0.7984079,-7.8053136 C01 [X(C16H18N1O1)] -0.2126387 1.6216357 0.3172961 0.000001303 0.000002276 -0.000004629 -0.000000485 -0.000001267 -0.000004282 -0.000001186 0.000002692 0.000005553 0.000000500 -0.000000585 -0.000000191 -0.000000786 -0.000005511 -0.000007123 0.000000128 -0.000000590 -0.000001979 -0.000000733 -0.000003907 -0.000001903 -0.000000630 -0.000001488 -0.000000211 -0.000005542 0.000004495 0.000001527 -0.000002658 0.000000320 0.000000833 -0.000002929 0.000000165 -0.000000372 -0.000000696 -0.000006849 0.000000813 0.000000317 0.000005740 -0.000005668 0.000000648 0.000005963 0.000004471 0.000000798 -0.000006084 0.000001388 0.000001894 -0.000001236 0.000002472 0.000002710 -0.000000964 0.000005386 -0.000001135 -0.000001308 0.000000312 0.000000845 0.000000234 -0.000000064 -0.000000122 0.000002412 -0.000001015 -0.000003710 0.000000431 -0.000000069 -0.000003881 0.000001039 -0.000003808 0.000000492 -0.000000605 -0.000002176 0.000002159 -0.000004632 0.000001389 0.000000973 -0.000000877 -0.000001062 0.000000428 0.000002752 0.000002618 -0.000001228 0.000001566 0.000001744 0.000001683 0.000001579 0.000001150 0.000001960 0.000000589 0.000001938 0.000004361 -0.000000482 0.000001002 0.000001063 0.000000988 0.000000742 -0.000003373 0.000000352 -0.000001975 0.000002047 0.000002034 0.000002539 0.000003088 0.000000990 0.000001493 0.000000577 -0.000003446 0.000000843 0.000001123 0.000003215 -0.000001681 222.17729999999997 AuxInfo=1/0/N:25,26,21,13,14,3,4,15,17,5,7,1,12,2,19,9,24,36/E:(1,2)(4,5)(6,7)(8,9)(10,11)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:36nC3C3C3C3C3HC3HC3HHC3C3C3C3HC3HC3HCHHNCCHHHHHHHHHO/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s5;s7;s1;s12;s12;s13;s13;s14;s14;s15s17;s17;;s21;s21;s19;s24;s24;s25;s25;s26;s26;s15;s21;s26;s25;s1;s9s21;/rC:-.0908,-.3985,1.3056;.0166,-1.6694,.6704;.5085,-1.8842,-.6494;-.3568,-2.8144,1.4232;.5653,-3.149,-1.1869;.9029,-1.0548,-1.2232;-.3242,-4.0883,.8866;-.7058,-2.6818,2.4435;.1329,-4.2668,-.4351;.96,-3.3223,-2.1822;-.6393,-4.9323,1.4873;-.1133,.8981,.7826;.0164,1.9986,1.6935;-.2987,1.232,-.5994;.0525,3.298,1.2704;.12,1.7875,2.7542;-.287,2.5273,-1.0356;-.5162,.4493,-1.3155;-.0772,3.6167,-.1225;-.4649,2.7255,-2.0842;-.1717,-6.6438,-.3699;-1.2295,-6.6012,-.0897;.4474,-6.8021,.5194;-.0304,4.8895,-.5562;-.1751,5.2033,-1.9828;.1574,5.9956,.3901;-1.1571,4.8914,-2.3544;.6053,4.71,-2.5708;-.6675,6.0393,1.109;1.1016,5.8857,.9334;.1747,4.0859,2.0015;-.0105,-7.4537,-1.0805;.1848,6.9337,-.1608;-.0816,6.2789,-2.1204;-.1739,-.4507,2.3909;.2219,-5.4475,-1.0592; Gaussian 09 GINC-KIMIK2184 EGARCIAP Opt freq EM64L-G09RevD.01 RB3LYP 6-31G(d) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-31G(d) 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 0 0 0 0 222.17729999999997 AuxInfo=1/0/N:25,26,21,13,14,3,4,15,17,5,7,1,12,2,19,9,24,36/E:(1,2)(4,5)(6,7)(8,9)(10,11)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:36nC3C3C3C3C3HC3HC3HHC3C3C3C3HC3HC3HCHHNCCHHHHHHHHHO/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s5;s7;s1;s12;s12;s13;s13;s14;s14;s15s17;s17;;s21;s21;s19;s24;s24;s25;s25;s26;s26;s15;s21;s26;s25;s1;s9s21;/rC:-.0908,-.3985,1.3056;.0166,-1.6694,.6704;.5085,-1.8842,-.6494;-.3568,-2.8144,1.4232;.5653,-3.149,-1.1869;.9029,-1.0548,-1.2232;-.3242,-4.0883,.8866;-.7058,-2.6818,2.4435;.1329,-4.2668,-.4351;.96,-3.3223,-2.1822;-.6393,-4.9323,1.4873;-.1133,.8981,.7826;.0164,1.9986,1.6935;-.2987,1.232,-.5994;.0525,3.298,1.2704;.12,1.7875,2.7542;-.287,2.5273,-1.0356;-.5162,.4493,-1.3155;-.0772,3.6167,-.1225;-.4649,2.7255,-2.0842;-.1717,-6.6438,-.3699;-1.2295,-6.6012,-.0897;.4474,-6.8021,.5194;-.0304,4.8895,-.5562;-.1751,5.2033,-1.9828;.1574,5.9956,.3901;-1.1571,4.8914,-2.3544;.6053,4.71,-2.5708;-.6675,6.0393,1.109;1.1016,5.8857,.9334;.1747,4.0859,2.0015;-.0105,-7.4537,-1.0805;.1848,6.9337,-.1608;-.0816,6.2789,-2.1204;-.1739,-.4507,2.3909;.2219,-5.4475,-1.0592; Opt freq Redundant internal coordinates found in file. 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 12 12 12 12 12 1 12 1 12 1 1 12 12 12 12 1 12 1 12 1 12 1 1 14 12 12 1 1 1 1 1 1 1 1 1 16 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 14.0030740 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 15.9949146 0 0 0 0 0 1 0 1 0 1 1 0 0 0 0 1 0 1 0 1 0 1 1 2 0 0 1 1 1 1 1 1 1 1 1 0 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -3.6000000 -3.6000000 -3.6000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -3.6000000 -1.0000000 -1.0000000 -4.5500000 -3.6000000 -3.6000000 -1.0000000 -1.0000000 -1.0000000 -1.0000000 -1.0000000 -1.0000000 -1.0000000 -1.0000000 -1.0000000 -5.6000000 (Enter /mnt/data/applications/G09/g09/l101.exe) Structure from the checkpoint file: "/scratch/Gau-115811.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 R35 R36 R37 1 1 1 2 2 3 3 4 4 5 5 7 7 9 12 12 13 13 14 14 15 15 17 17 19 21 21 21 21 24 24 25 25 25 26 26 26 2 12 35 3 4 5 6 7 8 9 10 9 11 36 13 14 15 16 17 18 19 31 19 20 24 22 23 32 36 25 26 27 28 34 29 30 33 1.4248 1.3982 1.0898 1.4249 1.4203 1.3754 1.083 1.3827 1.0864 1.4147 1.0846 1.4099 1.0828 1.3385 1.4345 1.4338 1.367 1.0865 1.3668 1.0829 1.4347 1.0818 1.4369 1.0819 1.3455 1.0951 1.0951 1.0895 1.4357 1.4679 1.4677 1.0952 1.0946 1.0884 1.095 1.0949 1.0883 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 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 A58 A59 A60 A61 2 2 12 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 1 1 13 12 12 15 12 12 17 13 13 19 14 14 19 15 15 17 22 22 22 23 23 32 19 19 25 24 24 24 27 27 28 24 24 24 29 29 30 9 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 12 12 12 13 13 13 14 14 14 15 15 15 17 17 17 19 19 19 21 21 21 21 21 21 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 36 12 35 35 3 4 4 5 6 6 7 8 8 9 10 10 9 11 11 7 36 36 13 14 14 15 16 16 17 18 18 19 31 31 19 20 20 17 24 24 23 32 36 32 36 36 25 26 26 27 28 34 28 34 34 29 30 33 30 33 33 21 131.4183 114.0128 114.5685 124.9937 117.5828 117.3947 120.9918 120.0668 118.8321 122.0653 118.9331 118.9781 120.4131 121.367 118.2057 119.2157 119.7319 121.0496 119.8196 115.3951 124.7724 118.1938 125.3489 116.4272 122.3543 118.649 118.9695 121.8145 119.6724 118.4008 120.6106 119.0855 120.303 121.1297 118.786 120.0656 117.4978 121.3291 121.1608 110.1188 109.7966 110.8083 109.7915 110.8158 105.4091 120.8039 120.6275 118.5672 110.9295 110.82 109.0044 109.185 108.3994 108.4338 110.9154 110.7769 109.0528 109.1397 108.4737 108.4163 119.5352 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 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 12 12 35 35 2 2 35 35 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 10 10 4 4 11 11 5 7 1 1 14 14 1 1 13 13 12 12 16 16 12 12 18 18 13 13 31 31 14 14 20 20 15 15 17 17 22 23 32 19 19 19 26 26 26 19 19 19 25 25 25 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 9 9 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 21 21 21 24 24 24 24 24 24 24 24 24 24 24 24 2 2 2 2 12 12 12 12 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 9 9 9 9 36 36 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 19 19 19 19 24 24 24 24 36 36 36 25 25 25 25 25 25 26 26 26 26 26 26 3 4 3 4 13 14 13 14 5 6 5 6 7 8 7 8 9 10 9 10 9 11 9 11 7 36 7 36 5 36 5 36 21 21 15 16 15 16 17 18 17 18 19 31 19 31 19 20 19 20 17 24 17 24 15 24 15 24 25 26 25 26 9 9 9 27 28 34 27 28 34 29 30 33 29 30 33 19.1125 -162.8981 -161.1712 16.8182 -168.6617 13.4103 11.6232 -166.3048 -179.4088 4.4371 2.5984 -173.5558 178.1833 -0.0348 -3.6717 178.1102 0.0398 -178.5654 176.2406 -2.3647 2.0338 -178.5581 -179.7489 -0.3408 -1.7729 179.4684 176.8757 -1.883 0.7441 179.379 -178.656 -0.021 178.9473 0.2583 177.6523 -0.4297 -4.2349 177.6832 -178.9362 4.9793 3.1031 -172.9814 1.7503 -178.6037 179.8263 -0.5277 0.4603 -177.9677 176.5928 -1.8351 1.9302 -179.3366 -177.7115 1.0217 -3.0319 178.2326 175.3761 -3.3593 -179.5072 0.0709 -0.8203 178.7577 61.1106 -61.4468 179.833 62.2027 -59.2534 -178.5132 -117.3838 121.16 1.9002 -61.6355 59.7244 178.9669 117.9518 -120.6883 -1.4458 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 3.00e-01 1.00e-07 1.00e-07 2 2 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. 0.00131 0.00153 0.00559 0.00748 0.00951 0.01088 0.01274 0.01304 0.01462 0.01558 0.01790 0.01812 0.01965 0.02065 0.02079 0.02084 0.02235 0.02346 0.02403 0.02477 0.02567 0.02671 0.02806 0.02981 0.03012 0.03101 0.03508 0.06377 0.06388 0.06431 0.06501 0.08883 0.08949 0.11429 0.11906 0.12143 0.12212 0.12295 0.12518 0.12834 0.12998 0.13172 0.13248 0.13374 0.14407 0.16243 0.16894 0.17393 0.17617 0.18273 0.18535 0.18627 0.18813 0.19001 0.19096 0.19547 0.19743 0.20399 0.20702 0.21104 0.21997 0.25490 0.28247 0.28759 0.31791 0.32728 0.33355 0.33429 0.33732 0.33802 0.33873 0.34070 0.34288 0.34976 0.35097 0.35390 0.35765 0.35942 0.36051 0.36089 0.36297 0.36330 0.36806 0.36885 0.37044 0.37182 0.37322 0.37945 0.38791 0.38888 0.40659 0.42025 0.43826 0.44719 0.45897 0.46269 0.52383 0.53389 0.54878 0.55457 0.57178 0.59628 Angle between quadratic step and forces= 78.54 degrees. 1 2 0.00013003 0.00000001 0.00000001 0.00000000 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 R35 R36 R37 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 A58 A59 A60 A61 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 2.69252 2.64229 2.05936 2.69261 2.68398 2.59919 2.04654 2.61287 2.05303 2.67343 2.04959 2.66424 2.04614 2.52943 2.71076 2.70949 2.58326 2.05324 2.58289 2.04645 2.71121 2.04423 2.71539 2.04447 2.54267 2.06952 2.06943 2.05880 2.71308 2.77387 2.77352 2.06971 2.06856 2.05674 2.06933 2.06906 2.05662 2.29368 1.98990 1.99960 2.18155 2.05221 2.04892 2.11171 2.09556 2.07401 2.13044 2.07577 2.07656 2.10161 2.11825 2.06308 2.08071 2.08972 2.11271 2.09125 2.01403 2.17769 2.06287 2.18775 2.03204 2.13549 2.07082 2.07641 2.12606 2.08868 2.06648 2.10505 2.07843 2.09968 2.11411 2.07321 2.09554 2.05072 2.11759 2.11465 1.92194 1.91631 1.93397 1.91622 1.93410 1.83974 2.10843 2.10535 2.06939 1.93609 1.93417 1.90249 1.90564 1.89193 1.89253 1.93584 1.93342 1.90333 1.90485 1.89322 1.89222 2.08628 0.33358 -2.84311 -2.81297 0.29353 -2.94370 0.23405 0.20286 -2.90257 -3.13127 0.07744 0.04535 -3.02912 3.10989 -0.00061 -0.06408 3.10861 0.00070 -3.11655 3.07598 -0.04127 0.03550 -3.11643 -3.13721 -0.00595 -0.03094 3.13231 3.08706 -0.03287 0.01299 3.13075 -3.11813 -0.00037 3.12322 0.00451 3.10062 -0.00750 -0.07391 3.10116 -3.12303 0.08691 0.05416 -3.01910 0.03055 -3.11722 3.13856 -0.00921 0.00803 -3.10612 3.08213 -0.03203 0.03369 -3.13001 -3.10165 0.01783 -0.05292 3.11075 3.06089 -0.05863 -3.13299 0.00124 -0.01432 3.11991 1.06658 -1.07245 3.13868 1.08564 -1.03417 -3.11564 -2.04873 2.11464 0.03316 -1.07574 1.04239 3.12356 2.05865 -2.10641 -0.02523 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00001 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00002 0.00002 -0.00002 0.00000 0.00003 -0.00001 -0.00002 0.00001 0.00000 0.00000 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00003 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00002 0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00011 0.00010 0.00009 0.00008 -0.00001 0.00000 0.00002 0.00003 0.00000 0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00002 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00003 0.00003 0.00001 0.00001 0.00001 0.00005 0.00000 0.00003 -0.00002 -0.00006 -0.00003 -0.00006 0.00004 0.00008 0.00000 0.00001 0.00000 0.00001 0.00001 0.00002 0.00002 0.00003 -0.00002 0.00000 -0.00003 -0.00001 -0.00001 0.00003 -0.00002 0.00002 0.00002 0.00002 0.00001 0.00000 -0.00001 0.00000 -0.00005 -0.00004 -0.00004 -0.00008 -0.00004 -0.00008 -0.00004 -0.00007 -0.00006 0.00027 0.00025 0.00028 0.00031 0.00029 0.00032 0.00022 0.00022 0.00023 0.00018 0.00019 0.00019 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00002 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00002 0.00002 -0.00002 0.00000 0.00003 -0.00001 -0.00002 0.00001 0.00000 0.00000 0.00001 -0.00002 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00003 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00002 0.00001 -0.00002 0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00011 0.00010 0.00009 0.00008 -0.00001 0.00000 0.00002 0.00003 0.00000 0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00002 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00003 0.00003 0.00001 0.00001 0.00001 0.00005 0.00000 0.00003 -0.00002 -0.00006 -0.00003 -0.00006 0.00004 0.00008 0.00000 0.00001 0.00000 0.00001 0.00001 0.00002 0.00002 0.00003 -0.00002 0.00000 -0.00003 -0.00001 -0.00001 0.00003 -0.00002 0.00002 0.00002 0.00002 0.00001 0.00000 -0.00001 0.00000 -0.00005 -0.00004 -0.00004 -0.00008 -0.00004 -0.00008 -0.00004 -0.00007 -0.00006 0.00027 0.00025 0.00028 0.00031 0.00029 0.00032 0.00022 0.00022 0.00023 0.00018 0.00019 0.00019 2.69252 2.64229 2.05936 2.69260 2.68398 2.59920 2.04654 2.61287 2.05303 2.67343 2.04959 2.66424 2.04614 2.52943 2.71077 2.70948 2.58326 2.05325 2.58289 2.04645 2.71121 2.04423 2.71538 2.04448 2.54266 2.06952 2.06944 2.05880 2.71308 2.77388 2.77354 2.06972 2.06855 2.05674 2.06933 2.06907 2.05662 2.29367 1.98988 1.99962 2.18154 2.05221 2.04893 2.11170 2.09557 2.07401 2.13044 2.07578 2.07655 2.10160 2.11826 2.06308 2.08069 2.08971 2.11273 2.09127 2.01401 2.17769 2.06290 2.18774 2.03202 2.13549 2.07081 2.07641 2.12608 2.08866 2.06649 2.10506 2.07844 2.09967 2.11411 2.07321 2.09553 2.05071 2.11760 2.11466 1.92196 1.91630 1.93396 1.91622 1.93409 1.83974 2.10843 2.10535 2.06938 1.93609 1.93417 1.90248 1.90566 1.89194 1.89251 1.93584 1.93341 1.90334 1.90486 1.89321 1.89222 2.08627 0.33368 -2.84300 -2.81288 0.29362 -2.94371 0.23406 0.20288 -2.90254 -3.13127 0.07745 0.04536 -3.02911 3.10987 -0.00061 -0.06410 3.10860 0.00069 -3.11654 3.07597 -0.04126 0.03552 -3.11640 -3.13720 -0.00594 -0.03093 3.13236 3.08706 -0.03283 0.01296 3.13069 -3.11816 -0.00043 3.12326 0.00458 3.10062 -0.00748 -0.07392 3.10116 -3.12301 0.08693 0.05418 -3.01907 0.03053 -3.11722 3.13854 -0.00922 0.00802 -3.10610 3.08210 -0.03201 0.03371 -3.13000 -3.10164 0.01784 -0.05292 3.11074 3.06084 -0.05867 -3.13303 0.00116 -0.01436 3.11983 1.06654 -1.07252 3.13862 1.08591 -1.03392 -3.11536 -2.04843 2.11493 0.03348 -1.07553 1.04261 3.12379 2.05883 -2.10622 -0.02504 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000005 0.000002 0.000599 0.000130 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.845513e-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 R35 R36 R37 1 1 1 2 2 3 3 4 4 5 5 7 7 9 12 12 13 13 14 14 15 15 17 17 19 21 21 21 21 24 24 25 25 25 26 26 26 2 12 35 3 4 5 6 7 8 9 10 9 11 36 13 14 15 16 17 18 19 31 19 20 24 22 23 32 36 25 26 27 28 34 29 30 33 1.4248 1.3982 1.0898 1.4249 1.4203 1.3754 1.083 1.3827 1.0864 1.4147 1.0846 1.4099 1.0828 1.3385 1.4345 1.4338 1.367 1.0865 1.3668 1.0829 1.4347 1.0818 1.4369 1.0819 1.3455 1.0951 1.0951 1.0895 1.4357 1.4679 1.4677 1.0952 1.0946 1.0884 1.095 1.0949 1.0883 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A58 A59 A60 A61 2 2 12 1 1 3 2 2 5 2 2 7 3 3 9 4 4 9 5 5 7 1 1 13 12 12 15 12 12 17 13 13 19 14 14 19 15 15 17 22 22 22 23 23 32 19 19 25 24 24 24 27 27 28 24 24 24 29 29 30 9 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 9 9 9 12 12 12 13 13 13 14 14 14 15 15 15 17 17 17 19 19 19 21 21 21 21 21 21 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 36 12 35 35 3 4 4 5 6 6 7 8 8 9 10 10 9 11 11 7 36 36 13 14 14 15 16 16 17 18 18 19 31 31 19 20 20 17 24 24 23 32 36 32 36 36 25 26 26 27 28 34 28 34 34 29 30 33 30 33 33 21 131.4183 114.0128 114.5685 124.9937 117.5828 117.3947 120.9918 120.0668 118.8321 122.0653 118.9331 118.9781 120.4131 121.367 118.2057 119.2157 119.7319 121.0496 119.8196 115.3951 124.7724 118.1938 125.3489 116.4272 122.3543 118.649 118.9695 121.8145 119.6724 118.4008 120.6106 119.0855 120.303 121.1297 118.786 120.0656 117.4978 121.3291 121.1608 110.1188 109.7966 110.8083 109.7915 110.8158 105.4091 120.8039 120.6275 118.5672 110.9295 110.82 109.0044 109.185 108.3994 108.4338 110.9154 110.7769 109.0528 109.1397 108.4737 108.4163 119.5352 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 12 12 35 35 2 2 35 35 1 1 4 4 1 1 3 3 2 2 6 6 2 2 8 8 3 3 10 10 4 4 11 11 5 7 1 1 14 14 1 1 13 13 12 12 16 16 12 12 18 18 13 13 31 31 14 14 20 20 15 15 17 17 22 23 32 19 19 19 26 26 26 19 19 19 25 25 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 9 9 12 12 12 12 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 21 21 21 24 24 24 24 24 24 24 24 24 24 24 2 2 2 2 12 12 12 12 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 9 9 9 9 9 9 9 9 36 36 13 13 13 13 14 14 14 14 15 15 15 15 17 17 17 17 19 19 19 19 19 19 19 19 24 24 24 24 36 36 36 25 25 25 25 25 25 26 26 26 26 26 3 4 3 4 13 14 13 14 5 6 5 6 7 8 7 8 9 10 9 10 9 11 9 11 7 36 7 36 5 36 5 36 21 21 15 16 15 16 17 18 17 18 19 31 19 31 19 20 19 20 17 24 17 24 15 24 15 24 25 26 25 26 9 9 9 27 28 34 27 28 34 29 30 33 29 30 19.1125 -162.8981 -161.1712 16.8182 -168.6617 13.4103 11.6232 -166.3048 -179.4088 4.4371 2.5984 -173.5558 178.1833 -0.0348 -3.6717 178.1102 0.0398 -178.5654 176.2406 -2.3647 2.0338 -178.5581 -179.7489 -0.3408 -1.7729 179.4684 176.8757 -1.883 0.7441 179.379 -178.656 -0.021 178.9473 0.2583 177.6523 -0.4297 -4.2349 177.6832 -178.9362 4.9793 3.1031 -172.9814 1.7503 -178.6037 179.8263 -0.5277 0.4603 -177.9677 176.5928 -1.8351 1.9302 -179.3366 -177.7115 1.0217 -3.0319 178.2326 175.3761 -3.3593 -179.5072 0.0709 -0.8203 178.7577 61.1106 -61.4468 179.833 62.2027 -59.2534 -178.5132 -117.3838 121.16 1.9002 -61.6355 59.7244 178.9669 117.9518 -120.6883 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6-31G(d) (6D, 7F) 0.10000e-02 0.10000e-05 F 36 36 36 1.00e+00 60 F 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= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0298940931 PCM (using non-symmetric T matrix) UFF Total charges None Matrix inversion PMMA 3.900000 2.222000 0.000000 1.424821 0.000000 2.527633 1.424868 0.000000 2.433393 1.420299 2.431011 0.000000 3.769456 2.437281 1.375432 2.788357 0.000000 2.795221 2.179292 1.082980 3.418612 2.121633 0.000000 3.720870 2.452374 2.812578 1.382671 2.443930 3.893518 0.000000 2.624248 2.165768 3.417117 1.086416 3.874733 4.322034 2.132509 0.000000 4.247801 2.825295 2.421435 2.408826 1.414720 3.395724 1.409856 3.391399 0.000000 4.670946 3.429249 2.149692 3.871776 1.084599 2.462654 3.413671 4.957980 2.151331 0.000000 4.570456 3.426946 3.895305 2.137556 3.432525 4.975974 1.082773 2.446034 2.175965 4.314458 0.000000 1.398242 2.573157 3.190413 3.775222 4.551776 2.978201 4.991911 3.990644 5.312150 5.268169 5.896267 0.000000 2.430647 3.807980 4.561591 4.835066 5.924224 4.314653 6.149619 4.794886 6.618122 6.650074 6.964894 1.434475 0.000000 2.516075 3.182696 3.219458 4.524114 4.503872 2.657474 5.523947 4.974188 5.518080 4.983060 6.516732 1.433799 2.438084 0.000000 3.699444 5.003608 5.545235 6.128047 6.918524 5.088033 7.405877 6.140842 7.755072 7.521481 8.262157 2.454632 1.367004 2.808575 0.000000 2.630839 4.037643 5.021690 4.814200 6.332464 4.950896 6.181443 4.555599 6.842942 7.154276 6.880170 2.175493 1.086527 3.425009 2.118495 0.000000 3.752272 4.540283 4.499254 5.880822 5.741913 3.779137 6.889240 6.278035 6.833405 6.089907 7.882459 2.447482 2.796264 1.366808 2.454966 3.882713 0.000000 2.787461 2.952364 2.634218 4.263532 3.759528 2.069932 5.047335 4.895869 4.841215 4.141870 6.068892 2.183078 3.426089 1.082933 3.889189 4.331087 2.109252 0.000000 4.261606 5.346024 5.557096 6.620183 6.879043 4.898460 7.774728 6.830143 7.892463 7.312195 8.717344 2.865561 2.434019 2.442046 1.434712 3.414701 1.436922 3.413046 0.000000 4.624903 5.209071 4.925024 6.557753 6.031304 4.111274 7.434580 7.056669 7.208912 6.214174 8.451431 3.417809 3.876897 2.112530 3.442169 4.963052 1.081888 2.403059 2.189269 0.000000 6.466697 5.085571 4.816055 4.232454 3.663905 5.755053 2.851778 4.888494 2.397392 3.949373 2.568483 7.629662 8.887338 7.880146 10.078742 8.996223 9.195919 7.164126 10.263948 9.529364 0.000000 6.458925 5.143342 5.058062 4.170189 4.042629 6.049420 2.843874 4.696035 2.724954 4.463587 2.370795 7.631919 8.870709 7.904738 10.074152 8.959891 9.225613 7.191704 10.282755 9.568174 1.095141 0.000000 6.474145 5.153035 5.055244 4.167165 4.033678 6.023007 2.845171 4.691324 2.727296 4.435152 2.369409 7.725074 8.889184 8.145861 10.135729 8.881608 9.486552 7.541768 10.451766 9.919005 1.095098 1.795440 0.000000 5.606528 6.672782 6.795838 7.960890 8.085263 6.053988 9.097780 8.171901 9.158556 8.429664 10.050586 4.210835 3.663405 3.667658 2.424107 4.539200 2.424051 4.530848 1.345521 2.684487 11.535729 11.562566 11.750765 0.000000 6.496234 7.369546 7.244234 8.713113 8.422799 6.395520 9.725733 9.058108 9.600654 8.603167 10.723192 5.117282 4.880754 4.207231 3.776963 5.847621 2.840970 4.812759 2.447024 2.496759 11.956426 12.001770 12.279230 1.467871 0.000000 6.464009 7.671331 7.955835 8.885244 9.288547 7.270876 10.107554 8.958719 10.295471 9.699669 11.011617 5.119739 4.206422 4.886618 2.839469 4.826827 3.776142 5.841603 2.444722 4.147603 12.666482 12.681979 12.801626 1.467685 2.523715 0.000000 6.520365 7.319176 7.182636 8.619180 8.305291 6.393718 9.582916 8.976449 9.445588 8.483875 10.560786 5.184271 5.111759 4.148268 4.140169 6.112535 2.843490 4.606768 2.787931 2.289782 11.746057 11.713819 12.147889 2.121979 1.095245 3.237200 0.000000 6.450386 7.179700 6.869116 8.572886 7.980021 5.927613 9.498793 9.027778 9.239366 8.049488 10.535161 5.127614 5.087456 4.098810 4.129660 6.093638 2.813785 4.581183 2.766854 2.306592 11.591214 11.724560 11.920689 2.120159 1.094633 3.258913 1.784865 0.000000 6.466551 7.751374 8.201088 8.864761 9.550746 7.630939 10.135869 8.822742 10.451793 10.055866 10.978125 5.181307 4.139599 5.115196 2.838848 4.626541 4.132622 6.095059 2.780992 4.606367 12.778679 12.709672 12.903221 2.121486 3.240484 1.095042 3.681393 4.114390 0.000000 6.407168 7.637141 7.951719 8.835145 9.295733 7.270561 10.075546 8.885414 10.290014 9.721893 10.971180 5.135730 4.106708 5.095891 2.812561 4.590709 4.133354 6.101671 2.766390 4.641869 12.661351 12.743832 12.711467 2.119666 3.255817 1.094899 4.110991 3.729397 1.784415 0.000000 4.545802 5.909284 6.540762 6.944877 7.915994 6.111925 8.264949 6.839066 8.700901 8.544098 9.069406 3.425041 2.115799 3.890217 1.081760 2.419136 3.444771 4.970421 2.189705 4.353446 10.994101 10.979955 10.991816 2.688849 4.152839 2.498748 4.625624 4.634781 2.306863 2.289011 0.000000 7.448279 6.043651 5.610216 5.283157 4.344348 6.465429 3.910761 5.972667 3.254842 4.384548 3.653320 8.557718 9.851044 8.703787 11.005963 10.006124 9.984918 7.922651 11.112030 10.238683 1.089471 1.787306 1.787214 12.354427 12.690241 13.530507 12.463511 12.270124 13.685319 13.536416 11.945560 0.000000 7.482485 8.644786 8.837434 9.890856 10.141984 8.090753 11.083377 10.001732 11.203963 10.482039 12.008206 6.116215 5.274640 5.739016 3.909501 5.914847 4.517174 6.623676 3.327568 4.672326 13.583835 13.608827 13.755196 2.093175 2.538441 1.088317 3.283863 3.306065 1.771669 1.770914 3.575743 14.418157 0.000000 7.505009 8.424567 8.315591 9.763283 9.496100 7.453639 10.797212 10.075392 10.681625 9.657736 11.790527 6.114073 5.733756 5.275626 4.516775 6.631410 3.910746 5.900969 3.328537 3.574201 13.041054 13.089646 13.355220 2.092773 1.088378 2.537760 1.771055 1.770942 3.290876 3.298562 4.676043 13.772137 2.083237 0.000000 1.089766 2.116939 3.429952 2.560647 4.541844 3.819258 3.939220 2.294215 4.758435 5.517717 4.595339 2.099944 2.553861 3.433550 3.919214 2.286499 4.541185 3.829491 4.782342 5.495433 6.780583 6.715375 6.650464 6.101235 7.148316 6.757813 7.212711 7.201344 6.633842 6.625906 4.566654 7.817906 7.821172 8.102420 0.000000 5.584182 4.160338 3.598194 3.664761 2.327498 4.448266 2.435533 4.558321 1.338514 2.514424 2.737108 6.615983 7.941328 6.715502 9.052091 8.179118 7.991027 5.948329 9.117417 8.265623 1.435699 2.092285 2.092343 10.352370 10.698177 11.534679 10.510559 10.276501 11.723458 11.540678 10.012807 2.019752 12.413857 11.778251 6.085066 0.000000 1.5992700 0.1368780 0.1274320 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. NBasis= 306 RedAO= T EigKep= 4.18D-04 NBF= 306 NBsUse= 306 1.00D-06 EigRej= -1.00D+00 NBFU= 306 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 0 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 301 301 301 301 301 MxSgAt= 36 MxSgA2= 36. 1 Closed 1 1 1 -750.361542552622 -750.361542553 1 7.430354980230e+02 -4.076238230224e+03 1.406090117927e+03 Using DIIS extrapolation, IDIIS= 1040. Two-electron integral symmetry not used. Keep R1 ints in memory in canonical form, NReq=1118184364. IVT= 556390 IEndB= 556390 NGot= 5502926848 MDV= 4399209553 LenX= 4399209553 LenY= 4399115476 Requested convergence on RMS density matrix=1.00D-08 within 512 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. 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= 46971 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Using compressed storage, NAtomX= 36. Will process 37 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 3.9000, EpsInf= 2.2220) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. MDV= 5502926178 using IRadAn= 2. Generate precomputed XC quadrature information. Keep R1 ints in memory in canonical form, NReq=1119715802. 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= 46971 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Symmetry not used in FoFCou. Solving linear equations simultaneously, MaxMat= 0. There are 111 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 108 vectors produced by pass 0 Test12= 1.55D-14 1.00D-09 XBig12= 1.79D+03 4.03D+01. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 1.55D-14 1.00D-09 XBig12= 2.21D+02 3.34D+00. 108 vectors produced by pass 2 Test12= 1.55D-14 1.00D-09 XBig12= 1.75D+00 1.83D-01. 108 vectors produced by pass 3 Test12= 1.55D-14 1.00D-09 XBig12= 4.26D-03 5.46D-03. 108 vectors produced by pass 4 Test12= 1.55D-14 1.00D-09 XBig12= 6.01D-06 1.85D-04. 74 vectors produced by pass 5 Test12= 1.55D-14 1.00D-09 XBig12= 4.73D-09 4.40D-06. 6 vectors produced by pass 6 Test12= 1.55D-14 1.00D-09 XBig12= 3.39D-12 1.41D-07. 2 vectors produced by pass 7 Test12= 1.55D-14 1.00D-09 XBig12= 3.37D-15 4.08D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 622 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 337.37 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 93.371 1.048 713.557 -10.936 -18.116 205.190 125.962 -0.003 909.732 -18.354 -29.593 288.967 (Enter /mnt/data/applications/G09/g09/l716.exe) PT3023.800S 2024-07-12T09:00:24.000 -10.27075 -10.25991 -10.25962 -10.25284 -10.25222 -10.25208 -10.25026 -10.24935 -10.24637 -10.24262 -10.24027 -10.23639 -10.23441 -1.11764 -1.01705 -0.91634 -0.90002 -0.84388 -0.81012 -0.80644 -0.79713 -0.77110 -0.76265 -0.73313 -0.68426 -0.66702 -0.65296 -0.63679 -0.61584 -0.58067 -0.57462 -0.54902 -0.54462 -0.52357 -0.51649 -0.50803 -0.50707 -0.49126 -0.48952 -0.47815 -0.47190 -0.46409 -0.45723 -0.45351 -0.44645 -0.43606 -0.43234 -0.42631 -0.42179 -0.41948 -0.40067 -0.38413 -0.38345 -0.36864 -0.35454 -0.31107 -0.30447 -0.29656 -0.24995 -0.14832 -0.05071 -0.04804 -0.04628 0.01148 0.05172 0.06002 0.06686 0.07103 0.08109 0.08632 0.09619 0.10020 0.11087 0.11364 0.12271 0.12373 0.13095 0.13429 0.13566 0.13627 0.14154 0.14452 0.15639 0.15670 0.17475 0.18761 0.20494 0.20499 0.21222 0.22933 0.25038 0.26855 0.27640 0.27873 0.29651 0.31497 0.33628 0.35373 0.36963 0.41754 0.43045 0.44810 0.45551 0.46190 0.46385 0.47706 0.48124 0.48473 0.49179 0.50356 0.50984 0.51605 0.51725 0.52174 0.52963 0.53675 0.53999 0.54253 0.54989 0.55160 0.55793 0.56315 0.56660 0.58207 0.59007 0.59870 0.61423 0.62657 0.63510 0.64912 0.65275 0.66690 0.69277 0.69561 0.70713 0.73397 0.74280 0.75691 0.76302 0.78155 0.78563 0.78904 0.79177 0.81017 0.81769 0.82007 0.83142 0.83315 0.83463 0.84295 0.85169 0.85758 0.87485 0.88101 0.89079 0.90206 0.90605 0.90928 0.91505 0.92221 0.92821 0.93507 0.95583 0.95719 0.96224 0.98513 1.00002 1.00698 1.02011 1.04685 1.05355 1.07490 1.09238 1.12257 1.12775 1.13646 1.14768 1.16781 1.19346 1.21373 1.21748 1.24678 1.27597 1.28911 1.31853 1.32321 1.33045 1.34965 1.35782 1.37217 1.38302 1.39721 1.40612 1.41404 1.41763 1.43436 1.44275 1.45895 1.46379 1.47736 1.48951 1.54598 1.56505 1.60460 1.64783 1.69131 1.71819 1.73223 1.76487 1.78868 1.79783 1.80568 1.81426 1.82865 1.83599 1.85242 1.85874 1.86153 1.87228 1.90642 1.91430 1.92121 1.93212 1.93743 1.95564 1.96819 1.97514 2.00207 2.01921 2.01965 2.05185 2.05738 2.05975 2.06573 2.08382 2.10293 2.10716 2.11066 2.11464 2.15484 2.16512 2.17295 2.19145 2.21393 2.24444 2.24848 2.27175 2.27333 2.28185 2.28911 2.29930 2.31394 2.32072 2.34382 2.38245 2.46174 2.46591 2.49555 2.50219 2.50641 2.51685 2.54492 2.58413 2.59272 2.60669 2.61442 2.63562 2.65082 2.67935 2.72543 2.75559 2.77027 2.79671 2.83519 2.86103 2.88515 2.93258 2.94410 3.07788 3.14705 3.20764 3.35531 3.37824 3.97292 3.99234 4.02329 4.04368 4.06992 4.07430 4.09112 4.13866 4.19472 4.23239 4.26740 4.27994 4.29241 4.31903 4.39409 4.48766 4.66681 4.74729 Mulliken charges: 1 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 C C C C C H C H C H H C C C C H C H C H C H H N C C H H H H H H H H H O -0.248027 0.166156 -0.171625 -0.172345 -0.176042 0.175199 -0.193647 0.178117 0.404371 0.177690 0.179601 0.178730 -0.169209 -0.173315 -0.183687 0.180186 -0.182867 0.180639 0.398586 0.179306 -0.240377 0.182805 0.183373 -0.453729 -0.337080 -0.336991 0.198447 0.198355 0.198441 0.198658 0.178803 0.199524 0.197511 0.197761 0.190222 -0.483537 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 7 9 12 13 14 15 17 19 21 24 25 26 36 C C C C C C C C C C C C C C N C C O -0.057805 0.166156 0.003574 0.005772 0.001648 -0.014046 0.404371 0.178730 0.010977 0.007324 -0.004884 -0.003561 0.398586 0.325325 -0.453729 0.257482 0.257619 -0.483537 1.00000 -2.45704741e-01 1.62552230e+00 2.92917157e-01 9.33711683e+01 1.04787959e+00 7.13556686e+02 -1.09355108e+01 -1.81162726e+01 2.05190472e+02 -2.7981 -0.0009 -0.0004 0.0005 4.2354 15.0116 34.9603 38.4221 65.2708 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 91 92 93 94 95 96 97 98 99 100 101 102 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|A|A|A|A|A|A|A|A|A|A|A|A 34.6272 38.3763 65.2003 88.2424 112.2589 131.3746 146.6613 166.3812 195.3983 206.1492 214.3384 240.1150 273.3646 295.6421 320.0434 338.0321 387.2778 420.0349 432.9585 451.6342 476.2725 498.2674 531.0520 537.5271 547.6666 599.7181 633.1881 644.4879 728.0968 742.7877 749.1046 782.2351 805.1690 824.5097 836.2431 848.5754 862.5917 893.3173 949.0658 955.6537 978.8546 983.7065 996.8809 1004.2786 1007.6159 1019.1958 1043.9646 1082.8324 1134.2692 1154.3701 1162.0224 1181.0266 1183.7358 1209.6946 1213.1778 1219.4841 1248.9555 1268.1271 1273.9809 1298.7082 1334.9223 1357.3186 1377.0214 1389.4205 1410.3918 1441.7689 1470.2870 1483.1095 1498.1064 1500.2701 1513.9065 1519.4064 1521.4901 1522.8086 1524.2908 1527.2805 1544.9045 1553.7496 1564.2761 1571.7287 1588.0950 1618.2219 1649.4864 1683.9697 3056.3964 3058.7092 3063.4448 3123.9849 3124.9413 3131.5654 3162.6765 3186.5541 3187.9172 3197.2393 3203.3368 3204.2547 3226.5224 3236.8930 3244.7158 3247.6573 3254.3213 3256.3342 4.1318 4.0302 3.7960 2.7457 2.7361 3.7335 1.2431 3.3034 3.7697 1.4115 2.7081 1.5954 1.9717 3.8328 3.9693 3.4983 3.0156 4.0885 3.1765 3.3949 4.1196 3.6838 2.9048 2.5733 2.5190 4.9811 7.0660 6.4369 4.2852 4.0115 4.5649 5.0597 1.2973 1.3033 3.7530 1.7842 1.8875 5.2771 1.4333 3.0102 1.3384 1.3229 1.4075 2.9070 1.2938 2.9031 5.8751 1.6952 1.2288 1.3469 1.4774 1.2659 1.7252 1.4833 1.3362 1.3323 1.2064 1.9380 1.7653 2.1656 3.2913 1.5123 2.0281 2.9879 2.3770 2.3257 1.1557 2.1244 1.2536 1.5521 1.0399 1.4976 1.0446 1.0587 1.0825 1.5467 1.7021 1.4431 4.0632 3.0275 4.2423 4.0524 4.9902 5.5619 1.0324 1.0362 1.0388 1.1049 1.1072 1.1086 1.0880 1.1012 1.1037 1.0988 1.0904 1.0908 1.0891 1.0906 1.0928 1.0916 1.0921 1.0940 0.0029 0.0035 0.0095 0.0126 0.0203 0.0380 0.0158 0.0539 0.0848 0.0353 0.0733 0.0542 0.0868 0.1974 0.2395 0.2355 0.2665 0.4250 0.3508 0.4080 0.5506 0.5389 0.4827 0.4381 0.4452 1.0555 1.6691 1.5753 1.3384 1.3040 1.5093 1.8241 0.4955 0.5220 1.5463 0.7570 0.8275 2.4812 0.7606 1.6197 0.7556 0.7542 0.8241 1.7274 0.7740 1.7768 3.7726 1.1711 0.9314 1.0575 1.1754 1.0403 1.4243 1.2788 1.1587 1.1673 1.1087 1.8362 1.6881 2.1521 3.4557 1.6415 2.2658 3.3984 2.7859 2.8484 1.4720 2.7532 1.6577 2.0582 1.4043 2.0370 1.4247 1.4464 1.4819 2.1256 2.3935 2.0527 5.8579 4.4065 6.3039 6.2523 7.9995 9.2928 5.6821 5.7115 5.7438 6.3531 6.3706 6.4053 6.4121 6.5883 6.6085 6.6182 6.5922 6.5983 6.6800 6.7326 6.7784 6.7836 6.8143 6.8351 0.5076 1.5482 0.6809 0.4065 0.5241 9.3196 2.0501 4.9245 2.3479 0.1914 0.4179 0.8544 14.1294 5.1581 1.6886 4.7913 31.4674 70.1994 19.1834 80.3761 1.2614 4.6214 189.1228 19.0141 25.5402 24.6367 0.5455 15.2192 41.4406 3.8582 53.8359 17.8884 17.3423 10.9925 18.7670 149.9398 46.1700 68.8047 172.5937 13.8813 16.4911 28.8454 76.5204 1.6898 0.0970 2.8381 201.1099 31.6594 0.2383 5.2031 73.7097 1.1613 12.0117 832.7495 965.8307 144.3870 266.6810 6.2956 27.8667 81.5224 1357.0164 346.3204 63.2750 29.6037 411.5754 1199.3236 16.0655 670.4998 35.4411 4.8711 1.3155 25.7352 11.2349 24.1266 16.3839 184.3235 106.5409 834.8447 0.1161 572.2697 104.7141 602.8368 1422.0275 196.2990 114.8912 36.9934 116.0177 0.6769 29.4234 25.7669 7.6137 1.0330 19.5520 29.4388 4.7902 8.3008 5.0393 0.7903 12.0284 5.6780 5.9024 5.7000 0.02 0.00 0.12 0.04 0.01 0.10 0.14 0.06 0.13 -0.06 -0.01 0.01 0.14 0.08 0.07 0.23 0.08 0.21 -0.08 0.02 -0.05 -0.14 -0.04 -0.01 0.02 0.07 -0.02 0.22 0.11 0.10 -0.16 0.00 -0.12 0.01 -0.01 0.10 0.04 0.02 0.05 -0.05 -0.07 0.09 0.04 0.00 0.00 0.08 0.06 0.06 -0.06 -0.08 0.04 -0.08 -0.10 0.13 -0.01 -0.05 -0.01 -0.11 -0.12 0.04 -0.10 0.08 -0.17 -0.12 0.12 -0.25 -0.18 0.00 -0.14 -0.02 -0.07 -0.07 -0.08 -0.13 -0.07 0.04 -0.03 -0.12 -0.11 -0.13 -0.01 -0.12 -0.16 -0.09 0.07 0.02 -0.09 0.06 -0.03 -0.15 0.07 0.03 -0.04 -0.09 0.11 -0.21 0.04 -0.06 -0.17 -0.08 -0.13 -0.12 0.01 0.00 0.12 0.01 0.10 -0.08 0.12 0.00 -0.02 0.10 -0.01 -0.01 0.13 -0.04 0.01 0.02 0.02 -0.01 0.07 -0.05 0.02 0.19 -0.07 0.01 -0.05 0.01 0.00 -0.01 0.05 -0.02 -0.03 -0.02 0.01 0.09 -0.08 0.03 -0.12 0.04 -0.01 0.13 0.00 -0.03 0.04 0.00 -0.01 0.20 0.00 -0.03 -0.03 0.01 0.00 0.01 0.00 -0.01 0.14 0.00 -0.03 0.29 -0.01 -0.05 0.01 0.01 0.00 0.19 0.00 -0.03 -0.20 0.00 0.01 -0.20 0.08 -0.02 -0.23 -0.04 0.02 -0.09 0.02 0.02 -0.06 0.03 0.01 -0.26 0.02 0.04 -0.01 -0.05 -0.03 0.01 0.11 0.04 -0.29 -0.09 0.02 -0.26 0.13 0.07 -0.11 0.01 0.01 -0.25 -0.01 0.01 -0.35 0.04 0.07 -0.14 0.04 0.04 0.08 0.01 -0.02 -0.10 -0.03 0.01 0.06 0.00 0.04 0.10 0.00 0.04 -0.01 0.02 -0.01 0.20 -0.01 0.07 -0.07 0.04 -0.04 -0.06 0.03 -0.03 0.16 0.00 0.04 0.31 -0.03 0.11 -0.01 0.02 -0.02 -0.18 0.05 -0.08 0.23 -0.02 0.06 -0.04 0.00 0.04 -0.12 0.01 0.03 -0.03 -0.02 0.03 -0.15 0.01 0.02 -0.16 0.03 0.04 -0.03 -0.03 0.01 -0.02 -0.03 0.04 -0.06 -0.01 0.01 -0.01 -0.04 0.01 -0.06 0.03 -0.05 -0.03 0.06 0.09 0.05 -0.02 -0.14 0.01 -0.03 -0.02 0.23 -0.07 -0.06 -0.06 -0.01 -0.04 0.26 -0.02 -0.18 0.28 -0.14 0.07 -0.13 0.02 -0.12 -0.11 0.00 0.06 -0.22 0.02 0.02 -0.19 0.05 -0.10 0.00 -0.02 -0.06 0.31 -0.08 -0.08 0.10 0.00 0.05 -0.12 0.04 -0.06 -0.01 0.00 0.04 -0.06 0.01 0.02 -0.08 0.03 0.01 -0.07 -0.01 0.00 -0.08 0.04 -0.01 -0.08 0.03 0.02 -0.05 0.00 -0.02 -0.06 -0.02 0.00 -0.05 0.02 -0.02 -0.08 0.06 -0.02 -0.04 -0.01 -0.03 0.03 0.00 0.04 0.13 0.01 0.01 -0.01 -0.02 0.04 0.13 0.00 -0.01 0.20 0.02 0.01 0.02 -0.02 0.02 -0.08 -0.02 0.06 0.05 -0.02 0.00 -0.03 -0.03 0.02 0.13 0.00 -0.01 0.13 -0.11 0.01 0.16 0.07 -0.01 -0.01 -0.02 -0.02 0.12 -0.05 -0.04 -0.21 0.01 -0.01 0.12 0.03 -0.10 0.12 -0.14 0.04 -0.15 -0.25 0.08 -0.12 0.26 -0.11 0.21 0.01 -0.03 0.20 0.01 0.00 -0.54 0.03 0.02 0.24 -0.06 -0.06 0.02 0.00 0.04 0.00 0.03 -0.03 -0.01 0.00 0.05 -0.01 0.00 0.04 -0.04 0.02 0.02 -0.01 -0.01 0.02 -0.10 0.03 -0.02 -0.02 0.01 0.03 -0.03 0.00 -0.01 0.01 -0.03 0.03 -0.08 0.02 -0.03 -0.13 0.05 -0.03 -0.01 -0.02 -0.01 0.03 0.00 0.04 -0.06 0.02 0.03 0.15 -0.02 0.02 -0.05 0.01 0.02 -0.16 0.03 0.05 0.17 -0.03 0.00 0.21 -0.02 0.01 0.06 -0.01 0.00 0.27 -0.06 -0.02 0.16 -0.01 -0.01 0.18 -0.17 0.10 0.27 0.09 -0.07 0.03 -0.02 -0.02 -0.13 -0.04 -0.01 0.02 0.01 -0.05 -0.10 -0.21 0.06 -0.09 0.10 -0.08 -0.11 0.20 -0.22 -0.10 -0.12 0.14 -0.17 0.03 0.02 0.21 0.00 -0.01 0.31 -0.03 -0.11 -0.32 -0.02 -0.02 -0.05 0.00 0.04 -0.09 0.04 -0.06 0.17 0.00 -0.01 0.09 0.01 -0.05 0.11 -0.02 -0.04 -0.06 0.04 -0.08 0.02 -0.03 -0.04 0.19 -0.05 -0.02 -0.17 0.05 -0.09 -0.11 0.07 -0.10 -0.08 0.00 -0.05 0.06 -0.06 -0.02 -0.29 0.08 -0.11 0.09 0.01 0.02 0.02 0.01 0.03 -0.01 0.00 0.03 -0.11 0.02 0.04 0.07 0.01 0.02 -0.13 0.00 0.04 0.02 -0.02 0.04 -0.13 0.01 0.04 -0.19 0.00 0.05 0.13 -0.02 0.13 0.12 -0.18 0.12 0.15 0.19 0.15 -0.09 0.00 0.02 0.09 -0.04 -0.01 0.08 0.00 -0.02 0.16 -0.08 -0.13 0.19 -0.03 0.11 0.14 0.10 0.04 0.11 -0.08 -0.08 -0.16 0.02 0.04 0.28 -0.07 0.22 0.13 -0.01 -0.04 0.07 -0.04 -0.02 0.23 -0.02 -0.01 -0.08 -0.02 0.00 -0.03 0.00 0.01 -0.02 0.00 0.01 -0.02 0.00 0.01 0.00 -0.01 0.02 -0.01 0.01 0.01 -0.03 0.00 0.01 0.02 -0.01 0.01 0.01 -0.01 0.02 0.00 0.00 0.01 -0.02 0.01 0.00 0.04 -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.03 0.00 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 0.03 0.00 -0.01 0.06 0.00 -0.01 -0.03 0.00 0.00 0.09 -0.01 -0.02 0.00 0.00 -0.03 0.00 0.01 -0.01 0.01 -0.03 -0.04 -0.10 0.01 0.01 0.03 0.00 -0.01 0.06 0.00 -0.01 0.22 -0.38 -0.18 0.32 0.33 0.10 0.27 -0.13 0.24 0.23 0.09 -0.29 0.04 0.00 -0.01 -0.02 0.01 -0.04 -0.23 0.02 0.02 -0.41 0.04 0.05 -0.04 0.01 0.00 0.00 0.01 -0.01 -0.06 0.00 -0.01 0.05 -0.01 0.05 0.14 0.01 0.09 0.03 0.00 0.05 0.09 0.02 0.06 0.21 0.01 0.14 0.00 0.01 0.03 0.01 0.00 0.04 -0.04 0.03 0.01 0.12 0.01 0.07 -0.03 0.00 0.00 -0.08 -0.02 -0.07 -0.05 -0.04 -0.07 -0.05 -0.02 -0.08 0.04 -0.05 -0.07 -0.06 -0.05 -0.07 -0.01 -0.01 -0.07 -0.06 -0.02 -0.08 0.02 -0.03 -0.06 -0.01 0.01 -0.07 0.10 0.02 0.04 0.16 -0.12 0.29 0.34 0.11 -0.11 0.03 -0.01 0.01 -0.02 0.10 0.04 0.01 -0.08 0.09 -0.08 0.24 0.08 -0.12 0.03 -0.04 0.13 -0.28 0.24 0.13 0.02 -0.08 0.12 -0.06 -0.07 0.03 0.03 0.00 -0.24 -0.01 0.19 0.12 0.09 0.09 -0.13 0.05 -0.01 -0.20 0.06 -0.06 -0.05 -0.01 -0.02 0.02 0.05 -0.10 0.03 0.06 -0.10 0.03 0.07 -0.09 0.03 0.06 -0.10 0.03 0.06 -0.10 0.03 0.08 -0.08 0.03 0.08 -0.09 0.03 0.07 -0.07 0.03 0.05 -0.10 0.04 0.09 -0.06 -0.10 -0.01 0.04 -0.06 -0.04 0.05 -0.05 -0.04 0.03 0.05 -0.05 0.04 -0.10 -0.05 0.05 0.07 -0.06 0.02 -0.08 -0.05 0.05 0.08 -0.08 0.03 0.13 -0.05 0.01 -0.06 0.15 0.22 -0.05 0.28 0.27 -0.03 0.23 0.22 0.06 -0.09 0.01 -0.04 -0.12 0.02 -0.03 -0.07 0.01 0.00 -0.29 0.06 0.03 0.02 -0.01 -0.01 -0.18 0.04 0.00 0.04 -0.03 0.10 -0.04 0.02 -0.17 0.03 0.34 -0.17 -0.06 0.02 -0.25 -0.10 0.02 -0.05 -0.08 -0.02 0.01 0.02 0.03 0.02 0.00 0.00 0.00 0.00 0.02 0.00 0.02 0.02 -0.01 0.01 0.02 0.00 0.02 0.01 0.00 0.03 0.03 -0.02 0.01 0.01 -0.01 0.01 0.02 0.00 0.03 0.01 0.00 0.02 0.01 -0.02 0.01 0.00 0.01 -0.02 -0.03 0.06 -0.03 -0.04 -0.06 -0.02 -0.03 0.03 -0.03 -0.03 0.11 -0.03 -0.05 -0.04 -0.02 -0.03 -0.12 -0.02 -0.02 0.00 -0.02 -0.03 -0.06 0.00 -0.03 0.00 0.03 0.00 -0.01 0.02 -0.03 -0.02 0.03 0.02 0.01 -0.01 0.00 0.04 0.03 0.01 -0.04 -0.05 0.05 0.17 -0.25 -0.10 0.25 0.31 0.06 -0.27 0.15 -0.21 -0.25 -0.25 0.36 0.02 -0.03 -0.03 0.03 0.03 0.01 0.37 -0.06 0.05 -0.30 0.07 0.09 0.06 0.03 0.01 0.01 0.03 0.01 -0.08 -0.01 -0.02 -0.03 -0.01 -0.04 0.07 -0.05 -0.01 -0.01 -0.03 -0.04 0.12 -0.07 0.02 0.08 -0.05 -0.01 0.05 -0.04 -0.01 -0.04 -0.03 -0.05 0.03 -0.06 -0.01 0.17 -0.07 0.04 0.05 -0.03 0.00 -0.06 0.03 0.04 0.02 0.03 0.04 -0.07 0.06 0.05 0.08 0.04 0.04 0.06 0.03 0.03 -0.03 0.06 0.06 -0.11 0.06 0.05 0.04 0.06 0.05 -0.03 0.06 0.06 0.01 -0.07 0.02 0.10 -0.03 0.34 0.28 -0.14 -0.18 0.03 0.05 0.00 0.01 -0.04 -0.02 -0.05 0.13 -0.08 0.09 -0.26 -0.05 0.14 0.11 0.02 -0.16 0.24 -0.21 -0.15 0.12 0.09 0.14 0.04 0.04 -0.25 -0.05 -0.07 0.11 0.07 -0.16 -0.23 -0.02 -0.06 -0.12 -0.05 -0.03 -0.11 -0.06 -0.05 -0.03 0.00 -0.01 -0.08 0.00 -0.01 -0.03 0.02 0.00 -0.07 0.00 -0.01 0.01 0.03 0.00 -0.03 0.03 0.02 0.03 0.00 0.01 -0.09 0.00 -0.02 0.03 0.02 0.00 0.03 0.04 0.01 0.10 -0.01 0.01 0.08 -0.01 -0.02 0.06 -0.02 -0.01 0.08 -0.02 -0.02 -0.03 -0.02 0.00 0.09 -0.03 -0.02 -0.01 -0.01 -0.01 0.10 -0.02 -0.02 -0.05 -0.02 0.01 -0.04 -0.01 0.00 0.00 0.05 0.03 0.13 0.26 0.47 0.33 -0.18 -0.24 -0.08 -0.02 0.01 0.02 -0.02 0.00 0.02 -0.03 0.01 -0.01 0.11 -0.03 -0.03 -0.14 0.04 0.02 0.06 0.00 0.01 -0.13 0.02 -0.07 -0.01 0.01 -0.50 0.09 -0.13 0.13 -0.04 0.01 0.18 -0.04 -0.01 -0.07 0.00 -0.01 0.01 0.03 0.00 -0.11 -0.02 -0.03 -0.06 -0.01 -0.01 0.00 0.01 0.01 0.02 -0.02 0.01 0.05 0.02 0.01 -0.01 0.02 0.03 0.09 -0.02 0.02 0.02 -0.03 0.01 0.03 0.02 -0.01 0.06 0.03 0.01 0.11 -0.02 0.02 0.02 -0.01 -0.04 0.06 -0.04 -0.02 0.07 0.01 -0.03 0.04 -0.02 0.02 0.10 -0.07 -0.03 0.01 0.02 0.01 0.09 0.02 -0.06 -0.04 0.01 0.04 -0.02 0.04 0.02 -0.01 0.05 0.04 -0.12 -0.13 -0.32 -0.27 0.33 0.27 -0.11 0.01 0.03 0.02 -0.06 0.01 0.01 0.03 -0.02 0.00 0.05 -0.04 -0.01 -0.20 0.09 -0.01 0.20 -0.06 -0.02 -0.08 0.02 0.05 -0.04 0.04 0.41 -0.04 0.24 0.19 -0.01 -0.08 0.18 -0.08 -0.06 -0.23 0.00 -0.04 -0.08 0.03 -0.04 -0.02 -0.04 0.11 -0.03 -0.06 0.08 -0.02 -0.01 0.07 0.00 -0.14 -0.01 0.00 0.03 -0.06 -0.02 0.02 0.13 0.04 -0.09 -0.12 -0.02 -0.25 -0.01 0.04 -0.04 -0.13 0.01 0.15 -0.08 0.06 -0.12 -0.16 0.01 -0.01 0.11 0.02 0.07 0.02 0.01 -0.02 0.10 -0.02 0.05 -0.08 0.05 0.17 0.04 0.01 -0.04 -0.01 0.00 -0.05 0.13 -0.02 0.03 -0.09 0.02 -0.11 -0.03 -0.05 0.05 0.15 -0.06 0.16 0.11 -0.08 0.21 0.20 -0.03 0.06 -0.07 0.02 0.22 -0.05 0.01 -0.01 0.01 0.02 0.29 -0.10 0.01 0.25 -0.08 0.00 -0.01 0.00 -0.01 -0.09 0.02 -0.02 0.07 -0.10 -0.06 -0.10 0.33 0.07 0.03 0.07 0.07 0.23 0.08 -0.03 -0.06 0.11 0.02 -0.08 -0.08 -0.05 0.05 0.01 -0.08 0.10 -0.13 -0.02 0.01 -0.11 -0.01 0.12 -0.08 0.08 -0.05 0.03 -0.01 -0.04 -0.18 0.09 0.06 0.06 -0.02 0.17 -0.09 0.04 -0.03 0.06 0.12 -0.12 0.06 0.12 0.09 0.13 0.01 0.08 0.13 0.04 0.11 0.10 0.02 -0.03 0.12 0.00 0.06 -0.03 0.06 0.19 0.11 0.02 -0.08 -0.02 0.02 -0.10 0.20 -0.02 -0.05 -0.07 0.04 -0.14 -0.03 0.01 -0.11 -0.08 -0.03 -0.27 -0.18 -0.06 -0.07 -0.02 -0.05 -0.05 -0.05 0.01 0.07 -0.03 0.01 -0.18 0.07 0.00 0.15 -0.08 0.00 0.07 -0.04 -0.02 -0.19 0.05 -0.02 -0.32 0.09 -0.01 0.12 -0.10 0.21 -0.04 -0.11 0.11 -0.11 0.19 0.07 0.08 0.07 -0.04 -0.07 0.00 -0.10 -0.02 0.01 0.05 0.00 -0.02 -0.14 -0.02 -0.01 -0.08 0.00 0.01 -0.08 -0.03 0.00 0.09 0.00 0.04 -0.10 0.03 0.03 0.10 -0.03 0.03 -0.12 -0.04 -0.01 0.07 0.00 0.01 0.14 0.03 0.06 0.14 -0.05 0.03 0.17 -0.01 -0.03 0.04 -0.01 -0.02 0.03 0.01 -0.02 -0.17 0.01 0.02 0.01 -0.02 -0.02 -0.12 0.02 0.02 -0.01 0.01 -0.01 -0.01 0.00 0.01 -0.21 0.03 0.03 -0.01 0.05 0.02 -0.03 -0.02 -0.07 -0.07 0.18 0.09 0.24 -0.02 -0.02 -0.03 -0.02 0.00 -0.02 0.00 0.00 -0.02 -0.23 0.15 -0.01 0.17 -0.13 0.01 -0.28 0.05 0.05 0.25 -0.05 -0.31 0.02 0.04 0.13 0.00 0.11 -0.34 0.03 0.04 -0.31 0.01 0.02 0.10 0.02 -0.02 -0.07 0.02 -0.05 0.16 0.00 0.01 -0.08 -0.02 -0.01 -0.15 0.01 -0.03 0.01 -0.02 0.03 0.15 -0.02 0.07 -0.26 0.04 -0.06 -0.04 -0.01 -0.01 0.07 -0.03 0.05 0.05 0.00 0.02 0.27 -0.01 0.12 -0.11 -0.01 -0.05 -0.08 -0.02 -0.01 0.03 -0.02 -0.02 -0.15 0.00 0.00 -0.06 -0.01 0.01 0.11 -0.04 -0.03 0.19 -0.01 -0.03 -0.25 0.03 -0.01 0.04 0.00 0.00 0.36 -0.01 -0.06 0.00 0.03 0.01 0.01 0.00 0.02 0.02 0.09 0.00 -0.08 0.01 0.02 0.00 0.00 0.01 0.01 0.03 -0.01 -0.03 0.09 -0.01 -0.04 -0.09 0.04 0.05 0.11 0.03 0.04 0.00 -0.06 -0.13 -0.01 0.02 0.02 0.01 0.04 0.04 0.01 -0.05 0.12 -0.02 -0.01 0.58 0.02 0.04 -0.04 0.02 -0.04 0.03 0.15 0.02 -0.01 0.06 0.11 -0.03 0.01 0.12 0.00 -0.02 0.01 -0.01 0.03 0.01 -0.02 0.02 0.13 0.04 0.00 -0.10 -0.04 -0.14 0.01 0.03 -0.06 -0.10 0.00 0.19 -0.02 0.02 0.00 -0.11 -0.02 0.13 -0.06 -0.01 0.12 -0.04 -0.01 0.10 -0.08 0.02 0.10 -0.01 -0.02 0.09 -0.04 0.01 0.08 -0.07 0.01 0.08 -0.07 0.01 0.02 0.00 0.02 0.10 -0.06 -0.03 -0.10 0.04 -0.02 -0.06 0.04 -0.02 -0.07 0.04 -0.01 -0.02 0.03 -0.02 -0.22 0.01 0.01 -0.13 0.13 -0.02 -0.29 0.07 -0.02 -0.32 0.09 -0.01 -0.19 0.12 -0.01 -0.23 0.14 0.03 0.11 -0.02 -0.05 -0.15 0.08 0.05 -0.07 0.24 -0.02 -0.24 -0.17 0.12 0.24 0.03 0.01 -0.13 -0.05 -0.06 -0.01 -0.01 0.00 -0.01 0.00 -0.16 0.00 -0.06 0.19 -0.03 0.07 0.15 -0.03 0.06 -0.34 0.02 -0.15 -0.19 0.01 -0.06 0.46 -0.07 0.17 -0.03 0.00 -0.01 0.30 -0.04 0.12 -0.30 0.03 -0.11 0.03 0.01 0.01 -0.06 0.01 0.02 0.13 0.02 0.00 0.08 0.01 0.00 -0.15 0.03 0.03 -0.11 0.03 0.03 0.23 0.03 -0.03 -0.02 0.01 0.00 -0.20 0.02 0.04 0.01 0.03 0.00 0.03 0.05 0.06 0.06 0.02 -0.03 0.02 -0.01 -0.03 0.00 0.00 -0.03 -0.01 -0.05 0.01 0.01 -0.03 -0.04 0.02 0.02 -0.03 -0.04 -0.10 -0.01 -0.03 -0.08 0.05 0.14 0.00 -0.01 -0.05 0.02 0.00 0.02 -0.02 0.07 -0.04 0.00 -0.02 -0.15 -0.02 -0.02 0.01 0.01 -0.01 -0.18 -0.01 -0.01 0.03 0.02 0.00 0.05 0.03 0.00 0.14 0.00 0.03 0.01 0.02 -0.02 0.06 0.03 0.01 -0.08 0.03 -0.05 0.31 -0.03 0.09 -0.08 0.02 -0.04 0.07 0.02 0.01 -0.07 0.03 -0.05 0.01 0.01 0.00 0.23 -0.01 -0.02 -0.08 0.00 0.02 -0.21 0.02 0.01 0.53 -0.02 -0.05 0.11 -0.01 -0.02 -0.21 0.01 0.05 -0.07 0.00 0.00 0.23 -0.02 -0.04 0.00 -0.06 0.00 0.00 -0.06 0.02 0.01 -0.13 -0.02 0.07 0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.03 -0.03 0.08 -0.05 -0.01 -0.04 0.03 -0.06 0.03 0.04 0.06 -0.02 -0.28 0.03 0.02 -0.03 -0.01 -0.06 -0.08 0.01 0.02 -0.03 -0.02 -0.01 -0.38 -0.03 -0.02 0.03 -0.02 0.05 -0.01 -0.04 -0.10 0.04 -0.09 -0.04 0.08 -0.12 -0.02 -0.02 -0.07 0.01 -0.06 -0.11 0.03 0.08 -0.13 -0.04 -0.04 -0.11 0.10 -0.04 0.01 0.00 -0.05 -0.03 0.08 -0.13 -0.24 0.02 -0.03 -0.09 0.14 -0.04 0.04 0.01 0.04 0.05 0.03 -0.05 0.11 0.04 -0.02 0.07 0.06 0.13 0.04 0.02 0.06 0.10 0.05 -0.05 0.13 0.02 0.00 0.07 0.03 0.14 0.10 0.04 0.03 0.21 -0.01 0.04 0.30 0.00 0.03 0.29 0.00 -0.01 0.02 -0.09 -0.02 -0.04 -0.13 0.00 -0.15 0.06 -0.03 -0.05 -0.09 -0.03 -0.08 -0.11 -0.01 -0.28 0.06 -0.01 -0.30 0.06 -0.02 0.04 0.09 -0.03 0.10 0.10 0.04 -0.04 0.26 -0.01 -0.05 -0.16 -0.01 -0.06 -0.10 0.06 0.09 -0.09 0.02 0.01 -0.01 0.00 0.01 0.04 -0.01 0.05 0.04 -0.02 0.01 0.02 0.01 0.07 -0.03 -0.03 0.09 0.08 0.03 0.05 -0.05 -0.07 -0.03 0.01 0.03 0.03 -0.04 0.01 0.15 -0.05 0.02 0.01 -0.10 0.00 -0.02 -0.07 0.00 -0.10 0.02 -0.01 0.05 -0.05 0.01 -0.03 0.19 -0.02 -0.24 -0.01 0.03 0.09 0.13 -0.02 0.13 -0.13 0.03 0.02 0.14 0.05 0.24 0.15 -0.02 -0.10 0.01 -0.02 -0.15 0.00 -0.02 -0.15 0.00 -0.03 -0.07 -0.12 -0.01 0.13 -0.14 -0.02 -0.16 -0.11 -0.01 0.24 -0.21 0.00 0.24 -0.22 -0.02 -0.22 -0.10 -0.03 -0.22 -0.11 -0.01 -0.11 0.29 0.02 -0.04 -0.06 0.00 -0.10 0.01 0.03 0.16 0.10 0.06 0.07 -0.01 -0.03 -0.03 0.06 -0.02 -0.09 0.01 0.05 -0.06 0.01 0.00 0.04 -0.04 -0.02 -0.04 0.00 0.04 0.05 -0.06 -0.15 0.11 -0.04 0.00 0.00 -0.01 -0.11 -0.02 -0.03 0.07 0.06 0.02 -0.07 0.05 -0.10 -0.09 -0.04 -0.12 0.13 -0.07 0.01 -0.05 -0.02 -0.04 -0.06 0.02 0.06 -0.01 -0.01 -0.06 -0.29 0.05 0.00 0.03 0.03 0.03 -0.38 0.08 0.09 0.15 0.07 -0.05 -0.27 -0.03 0.07 -0.01 -0.05 0.00 -0.01 -0.15 -0.01 0.00 -0.13 -0.02 -0.06 0.10 -0.02 -0.02 -0.06 -0.09 0.01 0.01 0.11 0.00 -0.13 -0.07 0.01 -0.17 0.03 0.04 -0.05 0.14 0.02 -0.13 0.06 -0.29 -0.04 0.01 0.05 0.05 -0.11 0.05 0.09 0.23 -0.01 -0.08 -0.25 -0.22 -0.10 0.00 -0.05 0.04 0.10 0.01 -0.04 0.05 0.13 -0.02 0.04 -0.06 0.02 -0.04 -0.06 0.00 -0.02 0.01 0.02 -0.03 -0.27 0.05 -0.14 0.00 0.01 -0.01 -0.32 0.03 -0.11 0.16 0.01 0.05 -0.22 0.05 -0.12 -0.25 0.03 -0.12 -0.15 -0.04 0.03 0.05 -0.02 -0.03 0.07 0.00 0.01 -0.01 -0.01 -0.03 0.36 0.00 -0.06 -0.01 0.01 0.02 0.34 0.02 -0.09 -0.16 0.05 0.00 0.28 -0.05 -0.04 0.00 -0.02 0.00 0.00 -0.08 0.01 0.01 -0.02 -0.02 0.08 0.04 -0.02 0.00 -0.03 -0.04 0.01 0.01 0.05 -0.02 -0.07 0.05 -0.03 -0.05 -0.06 -0.03 -0.07 0.01 -0.02 0.00 0.09 0.30 -0.06 -0.04 0.02 0.02 -0.04 0.01 0.04 0.10 -0.03 -0.03 -0.11 0.02 -0.04 0.05 -0.06 0.02 0.02 -0.08 0.06 -0.01 0.16 0.03 0.06 -0.05 -0.01 -0.01 -0.01 0.03 -0.02 -0.02 -0.04 0.05 -0.34 -0.02 -0.20 -0.04 0.00 0.00 -0.25 0.05 -0.11 0.14 -0.07 0.06 -0.31 0.01 -0.07 -0.35 0.08 -0.05 0.08 0.05 -0.03 0.02 0.02 0.02 -0.04 0.00 -0.02 -0.02 0.01 0.03 -0.08 -0.01 0.03 0.02 -0.02 -0.03 -0.27 -0.01 0.05 0.08 -0.06 0.01 -0.16 0.05 0.01 0.00 0.04 0.00 0.01 0.08 0.03 0.03 0.12 0.00 -0.03 -0.06 0.03 0.01 0.03 0.07 -0.01 -0.01 -0.07 0.02 0.09 0.00 0.02 0.09 0.04 0.02 0.07 -0.04 0.01 0.04 -0.09 -0.19 0.06 0.02 -0.04 -0.04 0.08 -0.03 -0.06 -0.15 0.02 0.04 0.16 -0.33 0.08 -0.03 -0.01 -0.02 -0.09 -0.02 0.02 0.16 0.01 0.16 -0.03 -0.01 0.12 -0.01 0.05 0.11 -0.16 -0.06 0.01 0.21 0.10 -0.02 -0.14 0.00 0.00 0.04 0.11 0.14 -0.14 -0.06 -0.13 0.03 0.01 -0.01 0.24 0.02 0.15 0.27 0.00 -0.11 -0.04 0.00 -0.08 -0.14 0.01 -0.13 -0.03 -0.01 -0.03 0.01 -0.03 -0.12 -0.15 0.01 -0.05 0.15 -0.06 -0.03 -0.11 0.03 0.08 0.04 -0.06 -0.04 0.16 0.00 0.00 0.01 0.01 0.14 0.03 0.00 0.14 0.03 0.00 0.10 -0.04 -0.02 0.00 -0.13 0.01 0.05 0.09 -0.01 -0.06 -0.08 -0.01 -0.06 -0.07 0.01 -0.05 0.10 0.01 -0.06 0.08 -0.06 -0.15 0.15 -0.08 -0.16 0.17 0.03 0.12 0.21 -0.03 -0.01 -0.23 -0.03 0.02 0.16 0.05 -0.09 -0.16 0.03 -0.02 0.00 0.02 0.04 -0.04 0.03 0.21 0.00 0.04 -0.06 -0.14 -0.05 0.12 0.18 0.05 0.17 -0.04 -0.02 -0.14 0.03 0.05 -0.01 -0.15 -0.03 -0.04 0.04 -0.04 0.10 0.19 -0.01 -0.08 0.12 0.02 0.03 0.09 0.01 -0.19 0.24 0.02 0.30 0.08 -0.02 -0.29 -0.08 0.02 -0.10 0.26 -0.02 0.19 -0.24 0.04 0.24 0.14 -0.02 -0.03 -0.10 -0.01 0.07 -0.26 -0.02 -0.05 0.03 -0.01 -0.01 0.03 -0.01 -0.02 0.03 0.00 -0.01 0.00 0.00 -0.01 -0.02 -0.01 -0.01 -0.03 0.00 -0.01 -0.02 0.00 -0.01 -0.02 0.00 0.00 -0.03 -0.01 0.00 -0.03 0.00 -0.21 -0.17 -0.03 -0.07 0.06 -0.01 -0.02 -0.05 -0.01 -0.01 -0.03 0.06 -0.05 0.00 0.01 -0.03 -0.03 -0.02 0.03 0.01 -0.04 0.04 0.08 -0.04 -0.24 0.10 -0.05 0.23 0.21 0.03 -0.16 -0.12 -0.06 -0.23 0.10 0.05 0.31 -0.02 -0.05 0.15 0.22 0.01 -0.03 -0.08 0.05 -0.03 -0.13 0.05 0.32 -0.01 0.02 -0.02 0.05 0.02 -0.17 0.12 0.00 0.07 0.07 -0.03 -0.22 -0.03 0.01 -0.14 0.13 -0.01 0.04 -0.06 -0.01 0.03 0.12 0.01 0.01 -0.05 -0.04 -0.06 -0.07 0.01 0.03 -0.03 0.02 0.12 -0.01 0.02 0.12 -0.01 0.00 0.07 -0.03 -0.01 0.00 -0.12 0.01 0.07 0.06 -0.01 -0.04 -0.08 -0.01 -0.05 -0.07 0.01 0.00 0.07 0.01 0.00 0.05 -0.06 -0.21 -0.03 -0.04 -0.09 0.08 0.02 0.11 0.12 -0.02 0.00 -0.20 -0.04 0.04 0.00 0.04 -0.06 -0.12 0.01 0.05 -0.16 -0.19 0.00 -0.08 0.12 0.03 0.08 0.13 -0.04 0.05 -0.11 0.06 0.00 0.14 0.05 0.12 -0.12 -0.02 -0.03 0.15 -0.02 0.05 0.23 -0.02 0.09 -0.39 0.13 -0.12 -0.42 0.01 -0.15 0.03 0.06 -0.02 -0.01 0.00 0.12 -0.02 -0.11 -0.03 0.03 -0.01 0.09 -0.07 -0.10 0.11 -0.01 -0.11 -0.03 0.03 -0.20 0.05 -0.04 -0.03 0.01 0.09 -0.11 -0.05 -0.01 -0.02 0.01 0.00 -0.04 0.03 0.01 0.00 0.00 0.01 0.03 -0.01 -0.01 0.02 -0.13 0.02 0.10 0.10 -0.02 -0.01 -0.09 -0.02 -0.01 -0.10 0.01 0.06 0.08 0.01 0.07 0.10 0.04 0.03 0.05 -0.01 -0.02 0.01 0.02 0.11 0.12 -0.01 0.02 -0.16 0.20 0.04 -0.14 -0.03 0.00 -0.02 0.00 0.04 -0.11 0.15 -0.02 0.06 -0.09 0.03 -0.02 -0.08 -0.02 -0.01 0.07 0.02 0.04 -0.16 0.04 -0.04 0.06 -0.04 0.02 -0.13 -0.02 -0.03 -0.14 0.02 -0.06 0.20 0.02 0.10 0.22 -0.08 0.05 0.18 0.06 -0.05 -0.10 0.00 0.11 -0.11 -0.08 -0.02 0.08 0.00 0.08 -0.03 -0.10 0.08 0.08 -0.09 -0.06 -0.20 -0.16 0.08 -0.20 -0.02 0.03 0.28 -0.09 -0.09 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.01 -0.02 0.01 0.04 0.02 -0.01 -0.01 0.02 -0.11 0.02 0.08 0.08 -0.02 0.00 -0.04 -0.03 0.00 -0.12 -0.01 0.04 0.04 0.00 0.08 0.11 0.42 0.01 0.01 0.00 0.00 0.00 0.03 0.09 0.09 -0.01 0.02 -0.13 -0.33 0.07 -0.13 0.02 0.00 0.01 0.01 -0.07 0.03 -0.11 0.00 -0.04 0.07 0.01 0.02 0.03 0.05 0.05 -0.04 0.01 -0.01 0.04 0.03 0.03 -0.05 0.07 0.01 0.16 0.07 0.09 0.09 -0.03 0.03 -0.16 0.04 -0.06 -0.10 0.10 0.03 0.22 -0.08 -0.01 -0.14 0.01 -0.13 -0.12 0.09 0.11 0.08 0.00 -0.12 -0.15 0.12 -0.11 0.11 0.07 0.08 -0.13 0.17 0.03 -0.22 0.06 0.02 0.42 -0.01 0.01 -0.01 -0.03 0.00 0.00 0.02 0.02 0.00 0.04 0.01 0.04 -0.02 0.00 0.02 -0.02 0.13 -0.01 -0.10 -0.09 0.00 0.00 0.15 -0.01 0.01 0.07 -0.04 -0.09 -0.12 -0.03 -0.04 -0.05 0.39 -0.08 -0.09 -0.03 -0.08 0.06 -0.01 -0.11 -0.10 0.02 -0.02 0.15 -0.16 -0.09 0.02 0.00 -0.03 -0.06 -0.04 0.09 0.28 -0.07 0.11 0.04 0.01 -0.17 0.03 0.08 -0.05 -0.20 -0.02 -0.15 -0.03 0.03 -0.28 -0.12 0.01 -0.04 -0.14 0.18 -0.24 -0.15 0.05 -0.02 0.03 -0.08 -0.19 -0.05 0.07 -0.03 -0.11 0.09 0.00 -0.01 -0.01 -0.04 0.02 -0.07 0.02 -0.09 0.06 -0.04 0.05 -0.23 -0.09 0.03 0.01 0.04 -0.10 -0.01 0.00 -0.09 -0.08 0.00 0.03 0.17 0.11 -0.11 0.03 0.13 -0.04 0.02 -0.03 -0.06 0.02 -0.02 -0.06 0.02 0.00 0.00 0.00 0.00 -0.04 0.00 0.01 0.01 -0.01 0.01 -0.02 -0.01 0.01 -0.05 0.00 -0.01 0.00 0.00 0.01 0.02 -0.08 -0.05 0.08 0.11 0.28 -0.19 -0.01 0.02 0.02 0.00 0.00 -0.03 -0.03 0.12 0.29 -0.06 0.09 0.17 -0.03 -0.01 -0.02 0.02 -0.01 0.01 -0.02 0.01 -0.01 0.01 0.00 0.01 0.00 0.01 0.00 0.03 0.00 0.01 0.02 0.00 0.01 -0.12 0.03 -0.03 -0.02 0.00 -0.01 0.06 0.01 0.03 -0.10 0.02 -0.03 0.01 0.00 0.00 0.07 0.00 -0.01 -0.06 0.00 0.02 0.08 0.00 -0.01 -0.44 0.02 0.04 -0.07 0.00 0.02 0.35 -0.03 -0.06 -0.02 0.00 0.00 0.51 -0.05 -0.09 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 -0.01 0.00 0.00 -0.01 0.01 0.00 0.01 0.00 -0.58 0.04 0.05 -0.01 -0.02 0.01 -0.04 0.00 0.00 0.02 0.00 0.00 0.07 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 0.02 -0.01 0.00 0.05 0.01 0.01 -0.09 0.01 -0.01 0.06 0.00 0.01 -0.28 0.06 -0.13 -0.09 0.01 -0.01 0.46 -0.03 0.19 0.03 0.00 0.01 -0.37 0.05 -0.17 0.60 -0.08 0.22 -0.02 0.00 0.00 0.02 0.00 0.01 0.00 0.00 -0.01 0.02 0.01 0.01 -0.07 0.00 0.01 -0.02 0.00 -0.01 0.05 0.00 -0.03 0.00 -0.01 0.00 0.09 0.00 -0.03 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.01 0.00 -0.13 0.02 0.02 0.02 -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.07 -0.01 0.01 0.00 -0.01 -0.02 -0.02 -0.06 0.20 -0.01 -0.03 -0.01 0.03 0.08 -0.16 -0.03 0.01 0.13 0.00 0.02 -0.16 0.32 0.09 0.04 -0.05 -0.02 0.13 -0.02 0.13 0.12 0.05 0.01 0.04 0.35 -0.18 0.01 -0.11 -0.04 0.08 -0.01 -0.04 0.03 0.03 0.03 0.05 0.01 0.00 -0.14 0.07 0.06 0.10 -0.21 0.00 0.07 0.05 0.03 -0.17 -0.26 0.02 -0.09 -0.10 0.00 0.03 -0.34 0.17 -0.08 -0.01 -0.05 0.01 0.00 0.03 0.03 -0.01 0.03 0.02 0.03 -0.01 0.00 0.00 0.00 -0.03 0.01 0.01 0.01 -0.01 0.00 -0.02 0.00 0.01 -0.04 0.00 -0.01 0.01 0.00 0.02 0.02 -0.21 0.11 0.10 -0.06 -0.14 0.10 -0.02 0.01 0.02 -0.03 0.00 -0.02 0.04 -0.07 0.21 0.02 -0.04 -0.09 0.01 0.00 0.04 0.03 0.00 0.02 -0.04 0.02 -0.05 -0.02 0.00 0.01 -0.05 0.01 -0.05 0.29 -0.04 0.10 -0.04 -0.01 0.01 0.13 0.00 0.07 0.08 -0.01 0.03 0.34 -0.06 0.11 0.13 -0.03 0.07 0.07 0.00 -0.01 -0.04 0.00 0.01 -0.07 0.00 -0.01 -0.08 0.01 0.02 0.27 -0.02 -0.02 -0.10 0.01 0.00 0.34 -0.04 -0.09 0.14 -0.02 -0.01 0.50 0.00 -0.11 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 0.00 -0.01 0.00 0.00 0.01 0.00 0.01 -0.03 0.00 -0.01 0.00 0.00 0.02 0.01 0.00 -0.01 0.00 0.37 -0.01 -0.03 0.00 -0.02 0.02 0.03 0.00 0.00 0.03 0.00 -0.01 -0.24 0.00 0.02 -0.01 0.00 -0.02 0.02 0.02 -0.08 0.08 0.00 0.03 -0.08 -0.02 0.02 -0.03 0.00 -0.04 -0.11 0.01 0.00 0.35 -0.08 0.21 -0.05 0.01 -0.06 0.22 -0.06 0.05 0.12 -0.02 0.04 0.53 -0.02 0.26 0.36 -0.03 0.10 -0.05 0.02 -0.01 0.03 -0.01 -0.01 0.02 0.00 0.04 0.04 -0.02 -0.04 -0.12 0.00 0.00 0.06 -0.01 0.04 -0.12 -0.01 0.10 -0.07 0.01 0.00 -0.27 -0.03 0.09 0.00 0.02 -0.01 0.00 -0.01 -0.02 0.00 0.00 -0.01 0.02 0.01 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.02 0.00 0.00 0.01 0.00 -0.02 -0.01 0.00 0.00 -0.01 -0.25 -0.01 0.00 0.03 0.03 -0.02 -0.02 0.00 0.00 -0.02 0.00 0.01 -0.10 0.03 -0.09 -0.03 0.01 0.01 -0.01 0.28 0.03 -0.03 0.13 0.06 0.06 0.04 -0.14 -0.04 -0.09 0.10 0.08 -0.02 -0.20 0.05 0.03 -0.18 -0.06 -0.19 0.12 -0.05 -0.08 0.11 -0.01 0.01 0.00 0.02 -0.18 -0.20 -0.07 -0.28 0.01 -0.01 0.16 -0.05 -0.01 -0.08 -0.08 0.03 0.00 0.11 -0.02 -0.17 -0.13 -0.03 -0.12 -0.10 0.03 -0.03 0.18 -0.01 -0.02 0.17 -0.01 -0.02 0.01 0.00 -0.10 0.18 0.00 -0.01 0.01 0.00 0.01 0.01 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 0.01 -0.02 0.00 0.01 0.01 0.00 0.02 -0.03 0.00 0.02 -0.04 0.01 0.03 0.01 0.00 0.03 0.01 -0.04 -0.23 -0.08 -0.01 -0.03 0.03 -0.01 0.00 -0.02 0.00 0.01 0.01 0.02 0.48 0.05 0.01 0.00 -0.01 0.14 0.00 0.01 -0.04 0.02 -0.01 -0.01 -0.01 0.00 -0.04 0.00 -0.01 0.01 0.00 0.00 0.04 -0.02 0.02 0.06 -0.01 0.03 0.31 -0.05 0.12 -0.01 0.00 -0.01 -0.06 0.03 -0.03 -0.38 0.04 -0.13 -0.05 0.02 0.00 -0.02 -0.01 0.02 -0.01 -0.02 -0.01 0.04 -0.01 0.00 0.21 -0.04 -0.01 0.00 0.00 -0.01 0.02 -0.03 0.00 -0.01 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 0.02 0.00 -0.01 -0.02 0.01 -0.02 0.03 0.00 -0.02 0.03 0.00 -0.04 -0.01 -0.01 -0.04 -0.02 -0.28 0.00 0.05 -0.01 0.00 -0.01 -0.01 0.02 0.03 0.00 0.00 -0.03 -0.73 -0.04 -0.06 0.01 0.01 0.00 -0.04 0.04 -0.01 0.01 0.02 0.01 -0.01 0.00 -0.01 0.02 -0.01 0.01 0.02 0.00 -0.01 0.04 -0.01 0.00 -0.03 -0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 0.00 -0.06 0.00 -0.04 0.13 -0.04 0.05 0.01 0.02 -0.01 0.01 -0.06 0.10 0.00 -0.10 -0.04 -0.01 -0.01 0.06 -0.05 -0.15 0.09 -0.02 -0.05 -0.04 -0.06 -0.17 0.04 0.01 0.15 -0.05 0.04 -0.19 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 -0.07 0.02 0.02 0.18 -0.02 -0.10 -0.15 0.05 -0.19 0.28 0.00 -0.19 0.32 -0.02 -0.33 -0.13 -0.06 -0.32 -0.12 0.10 -0.11 0.16 0.00 0.00 0.00 0.03 0.10 0.18 -0.02 -0.03 -0.21 0.18 0.06 0.00 0.00 0.00 0.00 -0.04 0.00 -0.01 0.03 -0.01 0.01 0.02 0.00 0.01 -0.10 0.01 -0.04 -0.02 0.00 -0.01 -0.07 0.01 -0.03 0.07 -0.01 0.02 0.58 -0.05 0.20 0.00 0.00 0.00 0.10 -0.01 0.04 -0.41 0.05 -0.15 0.00 0.00 0.00 0.07 0.00 -0.01 -0.01 0.00 0.01 -0.06 0.01 0.01 -0.44 0.01 0.04 0.01 -0.01 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 -0.06 -0.02 0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.02 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.35 -0.03 -0.03 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.21 0.02 0.01 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.08 0.01 -0.03 0.02 0.00 0.01 0.07 -0.01 0.03 0.47 -0.07 0.21 -0.02 0.00 -0.01 -0.11 0.00 -0.04 -0.01 0.00 0.00 -0.41 0.05 -0.17 0.08 -0.01 0.03 -0.01 0.00 0.00 0.05 0.00 -0.01 -0.08 0.01 0.02 -0.04 0.00 0.00 -0.29 0.00 0.02 0.06 0.00 -0.01 0.45 -0.05 -0.07 0.00 0.00 0.00 -0.35 0.03 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 0.00 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 0.01 0.01 0.20 -0.01 -0.02 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.16 -0.01 -0.01 0.00 0.00 0.00 0.10 0.00 0.01 -0.04 0.02 -0.02 0.05 -0.02 0.03 0.05 -0.01 0.02 -0.04 0.01 -0.02 -0.38 0.04 -0.18 -0.03 0.00 0.00 -0.31 0.03 -0.11 0.00 0.00 0.00 0.27 0.00 0.11 0.17 -0.02 0.07 -0.05 0.01 0.01 0.09 -0.01 -0.02 0.00 0.00 0.01 -0.05 0.01 0.02 -0.52 -0.01 0.04 0.00 0.00 -0.01 -0.04 0.01 0.01 0.00 0.00 0.00 0.03 -0.02 -0.02 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 0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 0.01 0.32 -0.02 -0.01 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.42 -0.04 -0.03 0.00 0.01 -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 -0.01 0.00 -0.01 -0.11 0.02 -0.03 0.00 0.00 0.00 -0.01 0.02 -0.01 0.00 0.00 0.00 0.07 0.00 0.03 0.00 0.01 0.01 0.02 0.00 0.00 0.03 0.04 0.21 -0.06 -0.09 -0.20 -0.03 -0.06 -0.17 -0.03 0.32 0.28 0.05 0.05 0.18 0.06 0.11 -0.46 -0.01 0.00 0.00 -0.03 0.35 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.15 -0.42 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.01 -0.05 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.05 -0.01 0.02 0.00 0.00 0.00 -0.04 0.02 -0.02 -0.36 0.01 -0.21 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 0.01 0.00 0.26 -0.01 0.10 0.00 -0.01 0.00 0.03 0.00 0.00 -0.04 0.00 -0.01 -0.09 0.01 0.03 0.02 0.00 0.02 0.25 -0.05 -0.04 0.06 -0.02 -0.03 0.65 -0.04 -0.13 0.01 0.00 -0.01 -0.42 -0.03 0.05 -0.01 -0.02 0.01 -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 0.01 -0.01 0.00 0.01 -0.01 0.03 0.00 -0.02 -0.01 0.00 -0.02 -0.01 -0.14 -0.01 0.06 0.00 -0.02 0.01 0.00 0.01 0.01 -0.01 0.00 -0.01 0.08 0.01 0.01 0.00 0.01 -0.01 0.01 0.01 0.01 -0.02 -0.01 0.00 0.09 0.11 -0.16 -0.07 -0.05 0.19 -0.08 -0.05 0.17 0.10 -0.08 -0.43 0.07 0.08 -0.17 -0.11 -0.33 0.22 0.01 -0.02 -0.01 -0.10 -0.40 0.23 0.15 -0.13 -0.43 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 0.04 -0.01 -0.01 0.00 0.00 0.00 -0.02 0.00 0.01 0.01 0.05 -0.02 0.01 -0.01 -0.02 0.01 -0.01 -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 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.02 0.06 -0.03 0.00 0.00 0.01 0.00 0.00 -0.01 -0.04 0.04 0.01 -0.01 -0.04 0.02 0.02 -0.02 -0.02 -0.01 -0.01 0.00 0.03 0.12 0.02 -0.01 0.04 0.05 0.03 0.05 -0.09 -0.18 0.28 0.11 -0.02 -0.02 0.06 -0.02 0.17 0.03 -0.01 -0.19 -0.06 0.17 0.36 -0.09 -0.07 0.11 0.24 0.00 -0.02 0.00 0.00 0.00 0.01 -0.02 0.00 0.01 0.00 0.01 0.01 0.00 0.01 0.01 0.01 -0.01 0.00 0.14 0.04 -0.07 0.00 0.00 -0.01 -0.07 -0.04 0.00 0.11 0.33 -0.20 0.11 0.21 -0.12 0.04 0.22 -0.15 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 0.02 0.00 0.05 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 -0.01 -0.03 -0.11 -0.32 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 0.01 0.00 0.00 -0.01 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 0.00 0.00 0.01 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.04 0.13 0.00 0.11 -0.09 -0.01 -0.14 0.00 0.03 -0.22 0.12 -0.03 -0.21 0.17 -0.01 0.27 -0.01 0.05 0.25 -0.02 0.00 0.03 -0.03 0.00 0.00 0.00 -0.08 -0.39 -0.41 -0.06 0.06 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.02 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 0.01 0.00 0.00 0.09 -0.01 -0.01 -0.11 0.01 0.01 -0.07 -0.03 0.44 -0.17 0.04 -0.40 0.20 0.31 0.34 0.08 -0.32 -0.36 0.01 0.00 0.00 0.00 0.00 0.00 0.23 -0.03 -0.03 -0.21 0.02 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 0.00 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 -0.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.01 0.02 0.10 -0.01 -0.01 0.09 -0.01 -0.01 -0.08 -0.02 0.50 -0.20 0.03 -0.45 -0.18 -0.25 -0.31 -0.07 0.26 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 -0.21 0.02 0.02 -0.24 0.03 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.03 0.05 -0.07 -0.01 -0.06 0.01 -0.02 0.02 0.07 -0.01 0.03 0.05 0.12 -0.34 -0.31 -0.02 -0.06 0.02 0.01 0.25 0.05 0.02 0.00 -0.06 0.06 0.59 -0.01 0.04 -0.25 -0.20 0.01 0.02 0.05 0.00 0.00 -0.03 0.00 -0.03 -0.03 0.00 -0.02 -0.02 0.00 0.14 -0.01 0.00 0.02 -0.03 -0.01 -0.16 0.11 0.01 0.02 0.05 0.02 0.20 0.00 -0.01 0.02 0.03 -0.03 -0.09 -0.02 0.02 -0.09 -0.01 0.00 0.01 0.03 0.00 -0.01 -0.02 0.00 -0.01 -0.02 -0.01 0.04 -0.02 0.01 0.03 -0.05 0.00 -0.03 -0.01 -0.01 -0.02 0.01 0.00 -0.12 0.08 0.05 0.13 -0.09 0.00 0.01 0.01 0.00 0.00 0.04 0.05 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 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 0.00 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 0.00 -0.01 0.00 0.13 -0.01 0.05 0.03 0.52 -0.41 -0.34 -0.49 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.28 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.01 -0.02 0.00 0.01 -0.02 0.00 -0.05 0.01 0.00 0.03 0.01 0.01 -0.02 -0.03 0.00 -0.01 -0.01 -0.12 0.20 0.19 0.01 0.04 -0.01 -0.01 -0.16 -0.02 -0.01 0.01 0.03 -0.02 -0.27 0.02 -0.02 0.14 0.11 0.01 0.07 0.09 0.00 0.03 -0.07 -0.01 -0.05 -0.04 -0.01 -0.07 -0.05 0.01 0.40 0.00 -0.01 0.01 -0.06 0.08 -0.33 0.24 0.02 0.03 0.11 0.01 0.33 0.00 0.01 -0.01 -0.02 0.02 0.10 0.00 -0.02 0.07 0.02 0.01 0.02 0.07 -0.01 -0.01 -0.04 -0.01 -0.01 -0.05 -0.02 0.06 -0.05 0.02 0.05 -0.06 0.02 -0.10 -0.01 -0.04 -0.10 -0.01 0.00 -0.34 0.24 -0.05 -0.11 0.07 0.01 0.06 0.07 0.01 0.00 0.06 0.01 -0.10 -0.02 0.00 -0.01 0.01 0.00 0.03 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.02 0.01 0.03 0.00 0.00 -0.02 0.00 -0.05 0.10 0.14 0.00 -0.03 -0.01 0.04 0.30 -0.03 0.00 0.04 0.01 -0.03 -0.22 0.03 0.06 -0.20 -0.22 0.00 -0.03 0.01 0.00 -0.01 0.03 -0.01 -0.02 -0.01 0.00 -0.01 0.01 0.01 0.09 0.05 0.00 -0.01 -0.01 0.01 0.00 -0.05 0.01 0.13 -0.04 -0.02 -0.20 -0.05 0.00 0.02 0.01 -0.01 -0.07 -0.01 0.00 -0.07 0.00 0.00 0.03 -0.01 -0.01 -0.08 -0.01 0.00 -0.06 0.05 -0.05 0.19 -0.12 0.06 0.18 -0.13 -0.04 0.21 -0.02 0.07 0.21 -0.01 0.01 -0.16 0.18 0.01 0.04 -0.02 -0.06 -0.27 -0.30 0.05 -0.04 0.42 -0.05 0.12 0.00 0.00 -0.02 -0.01 0.00 0.02 0.01 0.01 -0.04 -0.03 -0.01 0.01 0.03 0.01 0.05 0.00 -0.01 -0.02 0.01 -0.07 0.17 0.23 0.00 -0.04 -0.02 0.06 0.48 -0.04 0.01 0.04 0.00 -0.04 -0.28 0.04 0.07 -0.26 -0.30 0.00 -0.02 0.00 0.00 0.03 -0.02 0.00 0.03 0.00 0.00 -0.02 0.00 0.01 0.20 0.01 0.00 -0.02 0.01 0.00 0.12 -0.09 0.00 -0.06 0.02 0.00 -0.04 0.00 -0.01 0.04 0.03 -0.03 -0.16 -0.03 0.01 -0.17 -0.01 0.00 -0.04 0.01 0.00 0.06 0.00 0.00 0.05 -0.04 0.03 -0.13 0.08 -0.03 -0.12 0.11 0.02 -0.16 0.00 -0.05 -0.17 -0.01 0.00 -0.05 0.03 0.06 0.16 -0.10 0.04 0.17 0.18 -0.02 0.03 -0.24 -0.06 0.13 0.02 0.01 -0.03 -0.03 0.00 -0.01 -0.01 0.00 0.01 0.02 0.01 0.03 -0.01 0.00 -0.01 0.01 0.00 -0.02 -0.01 -0.03 0.09 0.05 -0.01 0.02 0.02 -0.02 -0.18 0.02 0.01 -0.06 -0.04 0.00 -0.08 -0.01 -0.07 0.23 0.30 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 -0.01 0.02 -0.04 0.03 0.00 0.01 0.00 0.00 0.03 0.00 -0.03 0.05 0.11 -0.10 -0.35 -0.08 0.06 -0.36 -0.03 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.03 -0.02 0.01 0.03 -0.03 0.00 0.02 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.20 0.55 -0.39 -0.01 -0.02 -0.02 0.00 -0.01 0.05 0.02 -0.04 -0.01 0.02 0.00 -0.05 0.01 0.02 -0.03 -0.01 0.01 0.03 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 0.01 -0.01 0.09 -0.14 -0.17 0.00 0.00 0.00 -0.02 -0.19 0.02 0.00 -0.01 0.00 0.03 0.17 -0.03 -0.04 0.12 0.15 -0.01 -0.08 -0.02 0.01 0.04 0.01 0.00 0.02 0.00 0.00 -0.03 0.03 0.03 0.62 0.13 0.00 -0.03 -0.01 -0.05 0.24 -0.23 0.00 0.01 0.00 -0.02 -0.31 -0.06 0.00 -0.01 0.00 0.00 0.01 0.01 0.00 0.01 0.01 0.00 -0.03 0.01 0.00 0.02 -0.01 0.00 0.02 0.00 0.01 -0.03 0.02 -0.01 -0.03 0.03 0.01 -0.04 0.00 -0.01 -0.04 0.00 0.02 -0.25 0.27 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 0.01 -0.01 -0.04 0.23 -0.03 0.00 0.02 0.00 0.01 0.00 0.02 -0.03 -0.09 0.05 0.02 -0.01 -0.04 0.01 0.01 -0.02 0.00 0.02 0.01 0.05 -0.10 -0.15 0.01 0.01 -0.02 0.04 0.26 -0.05 -0.01 -0.02 0.01 0.01 0.12 0.00 -0.01 0.08 0.06 -0.02 -0.04 -0.08 0.00 -0.01 0.03 0.01 0.00 0.04 0.00 0.02 -0.03 0.00 -0.04 0.03 0.00 -0.01 -0.02 0.01 -0.11 0.17 0.01 0.02 0.07 -0.02 -0.19 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.06 0.15 -0.01 -0.04 -0.08 -0.01 -0.03 -0.09 -0.06 0.14 -0.10 0.06 0.13 -0.12 0.04 -0.16 -0.01 -0.06 -0.16 -0.02 -0.02 0.33 -0.37 0.01 0.02 -0.02 0.04 0.14 0.20 0.03 0.00 0.24 -0.05 0.46 0.04 0.00 0.01 0.00 0.00 -0.01 -0.04 0.04 0.16 -0.03 -0.02 0.01 0.05 -0.01 -0.01 0.03 0.00 -0.03 -0.02 -0.03 0.08 0.15 -0.01 -0.02 0.03 -0.05 -0.34 0.06 0.01 0.02 -0.01 -0.02 -0.18 -0.01 0.02 -0.15 -0.12 0.01 -0.02 0.04 0.00 -0.01 -0.01 0.00 0.02 -0.02 0.00 0.02 -0.02 -0.01 -0.11 -0.03 -0.01 -0.04 -0.02 -0.04 0.30 -0.32 0.01 0.01 0.04 -0.03 -0.36 -0.08 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.03 0.11 -0.01 -0.02 -0.06 -0.01 -0.01 -0.06 -0.03 0.08 -0.06 0.03 0.07 -0.07 0.03 -0.12 0.00 -0.05 -0.12 -0.01 -0.01 0.13 -0.13 -0.01 -0.03 0.03 0.03 0.10 0.14 0.02 0.01 0.16 0.05 -0.46 -0.06 0.00 -0.01 0.00 -0.01 0.04 0.09 0.01 -0.17 -0.07 0.01 -0.03 -0.04 0.00 -0.03 0.00 -0.02 0.01 0.05 0.00 0.08 0.12 0.01 0.05 -0.02 0.01 0.09 -0.02 -0.01 -0.01 0.01 0.04 0.37 0.01 -0.02 0.16 0.11 0.02 0.18 0.05 0.00 0.02 -0.02 -0.01 0.04 -0.06 0.00 -0.04 -0.02 -0.02 -0.35 -0.10 0.00 -0.06 0.04 -0.06 0.31 -0.34 0.00 0.02 -0.01 -0.04 -0.46 -0.03 0.00 -0.01 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 0.00 0.00 0.03 0.00 0.00 -0.02 0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 -0.03 0.00 -0.01 -0.04 0.00 0.00 -0.23 0.17 0.00 0.01 -0.01 0.00 0.01 -0.01 0.01 0.01 0.07 -0.02 -0.15 0.09 0.00 0.01 0.00 0.00 0.02 0.02 0.01 -0.05 -0.04 -0.03 -0.03 0.06 0.02 -0.09 -0.07 0.00 0.05 0.02 0.15 -0.46 -0.42 -0.03 0.08 0.10 -0.01 -0.30 -0.07 0.03 0.31 0.02 -0.04 -0.22 0.06 -0.03 0.10 0.13 0.00 0.01 -0.02 0.00 0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.08 -0.01 0.00 0.00 0.01 -0.01 -0.07 0.09 0.00 0.02 -0.01 0.00 -0.05 0.00 0.02 0.09 -0.03 0.00 -0.29 0.02 -0.07 -0.28 0.00 0.00 -0.02 0.00 0.00 0.01 -0.01 0.00 0.01 0.00 0.00 -0.02 0.03 0.00 -0.02 0.03 -0.01 -0.03 -0.01 0.00 -0.03 -0.01 0.00 0.02 -0.04 -0.04 -0.04 0.08 0.00 0.00 0.00 0.00 0.01 0.01 -0.03 0.01 0.02 0.00 -0.19 -0.05 0.00 0.02 0.02 0.01 -0.01 -0.05 0.02 -0.04 -0.05 0.01 0.04 -0.02 0.00 -0.01 -0.01 -0.12 0.26 0.30 0.00 0.03 0.00 -0.07 -0.52 0.02 -0.06 0.00 0.15 0.08 0.47 -0.06 0.10 -0.24 -0.34 0.00 -0.03 -0.04 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.01 0.01 0.09 0.03 0.00 0.01 0.00 0.04 -0.11 0.13 0.00 0.01 0.00 0.00 0.01 0.00 0.00 0.03 0.01 -0.02 -0.12 -0.02 0.00 -0.13 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.01 0.00 0.08 -0.08 -0.01 0.01 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.09 0.02 0.01 -0.03 -0.04 0.01 0.00 -0.07 -0.05 -0.01 0.13 0.01 -0.02 -0.04 0.02 0.07 -0.04 0.02 0.06 -0.03 0.08 -0.14 -0.18 0.01 -0.02 -0.04 0.01 -0.02 -0.03 -0.04 -0.01 0.10 0.01 0.00 -0.04 0.03 -0.07 -0.10 0.01 -0.02 0.10 0.00 0.04 0.00 0.00 -0.04 0.03 0.00 0.03 0.00 -0.03 -0.40 -0.08 0.00 -0.01 -0.01 -0.06 0.30 -0.32 -0.02 -0.04 -0.12 0.05 0.51 0.09 0.00 0.02 0.01 -0.01 -0.08 -0.01 0.00 -0.08 -0.01 0.01 0.02 0.08 -0.01 -0.02 -0.02 0.00 0.00 -0.03 -0.04 0.08 -0.01 0.05 0.07 -0.02 0.03 -0.09 0.02 -0.04 -0.08 0.02 0.02 -0.24 0.29 0.00 0.02 0.01 0.00 0.02 0.00 0.00 -0.02 -0.01 0.00 0.07 -0.07 0.01 -0.02 -0.02 0.01 -0.05 -0.05 -0.07 -0.01 0.20 0.01 -0.01 -0.03 0.02 0.10 -0.04 0.03 0.10 -0.05 0.10 -0.22 -0.28 0.02 -0.04 -0.06 0.03 0.10 -0.04 -0.05 -0.04 0.12 -0.01 -0.15 -0.04 0.04 -0.09 -0.12 0.01 0.07 0.06 -0.01 -0.05 -0.03 -0.01 0.05 -0.08 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 -0.03 -0.02 -0.01 -0.10 0.07 0.03 0.06 0.17 -0.05 -0.52 -0.11 0.00 0.02 0.01 -0.02 -0.06 -0.03 0.02 -0.07 -0.01 -0.01 -0.04 -0.09 0.01 0.03 0.03 0.00 0.00 0.04 0.06 -0.12 0.02 -0.07 -0.10 0.03 -0.04 0.09 -0.02 0.05 0.08 -0.02 -0.02 0.15 -0.23 0.01 0.04 -0.01 0.00 -0.03 -0.02 0.00 0.03 -0.02 0.04 -0.41 -0.07 0.01 -0.02 -0.02 -0.01 0.09 -0.06 0.02 -0.02 -0.05 0.00 0.00 -0.01 -0.01 -0.03 0.01 -0.01 -0.03 0.02 0.01 0.05 0.08 0.00 0.00 0.00 -0.01 -0.05 0.01 0.01 0.03 -0.02 0.01 0.12 0.01 -0.03 0.09 0.10 0.02 -0.07 0.21 -0.01 -0.09 -0.06 0.00 -0.01 0.00 0.00 0.03 -0.03 -0.01 -0.07 -0.06 -0.02 -0.07 -0.08 -0.04 0.28 -0.33 0.02 0.05 0.14 0.02 0.26 -0.04 0.00 0.00 -0.01 0.01 -0.02 0.03 -0.03 -0.01 0.02 -0.01 0.00 -0.07 0.00 0.01 0.03 0.00 -0.01 0.03 0.01 -0.01 0.02 -0.01 -0.01 0.03 -0.07 0.07 -0.06 0.07 0.06 -0.07 -0.02 0.29 -0.31 -0.01 -0.03 0.02 0.00 -0.04 -0.02 -0.01 -0.01 -0.07 -0.05 0.59 -0.04 0.00 0.00 0.00 0.00 -0.03 0.02 -0.01 -0.01 0.02 0.00 -0.01 0.00 0.00 -0.01 -0.02 0.00 0.02 0.00 0.02 -0.02 -0.01 0.00 0.02 0.01 0.02 0.05 -0.03 0.00 0.01 0.01 -0.01 -0.02 0.01 0.02 -0.04 -0.07 0.00 0.08 -0.05 -0.01 -0.01 -0.05 0.01 0.02 0.05 0.01 -0.05 0.07 0.02 0.40 0.02 -0.01 -0.06 -0.01 -0.04 0.27 -0.20 -0.01 -0.16 0.03 0.00 0.12 0.03 0.00 0.01 0.00 -0.01 -0.02 -0.03 0.02 -0.03 -0.02 0.01 0.18 -0.06 0.00 -0.06 0.07 -0.01 -0.09 -0.03 0.00 0.25 -0.22 -0.01 0.24 -0.22 0.06 0.33 0.04 0.00 0.33 0.07 0.00 0.11 -0.10 0.00 0.00 0.02 0.01 0.06 0.22 -0.04 -0.08 -0.18 0.03 -0.11 0.02 0.00 -0.02 -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 -0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.02 -0.02 0.00 0.00 -0.02 0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.01 -0.02 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 0.00 0.01 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.01 -0.01 0.00 0.01 0.03 0.01 -0.02 0.07 0.01 0.05 0.05 0.11 0.15 -0.37 -0.16 0.18 -0.34 -0.17 -0.33 -0.16 0.09 -0.33 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.19 -0.35 -0.05 -0.06 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 -0.02 -0.02 0.02 0.04 0.00 0.10 0.04 0.01 -0.08 -0.07 0.00 -0.12 -0.03 0.05 -0.04 -0.15 -0.03 0.13 0.12 0.03 0.01 -0.09 0.00 -0.03 -0.01 0.05 0.13 -0.07 0.10 -0.26 -0.38 0.00 0.02 0.01 0.00 0.01 0.04 0.00 0.02 -0.02 -0.01 0.05 -0.08 -0.01 -0.21 0.00 0.00 -0.02 -0.01 0.00 -0.02 0.02 0.01 0.00 0.06 -0.01 -0.10 -0.02 -0.01 -0.02 0.03 -0.07 0.16 -0.24 0.24 0.11 -0.14 0.00 -0.02 -0.01 0.00 0.01 0.02 0.00 -0.02 -0.02 0.07 -0.05 -0.12 -0.10 -0.03 -0.10 0.14 0.13 0.15 -0.10 0.11 0.18 0.01 -0.23 0.21 0.03 0.05 -0.04 -0.02 0.05 0.09 0.00 0.00 -0.05 0.01 0.32 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.03 0.01 0.00 0.02 0.02 0.01 -0.02 -0.03 0.00 0.00 -0.01 0.03 -0.06 -0.08 -0.01 0.04 0.04 0.01 -0.02 -0.03 0.00 0.00 0.01 0.00 -0.02 -0.01 0.04 -0.10 -0.14 0.00 0.03 0.00 0.00 -0.01 -0.03 0.00 0.00 0.02 0.00 -0.04 0.05 0.01 0.14 -0.01 0.00 -0.02 0.00 -0.01 0.07 -0.06 0.00 -0.01 -0.02 0.01 0.11 0.02 -0.02 -0.04 0.03 -0.06 0.30 -0.23 0.26 0.26 -0.12 0.00 0.02 0.00 -0.01 -0.01 -0.05 0.00 0.02 0.04 -0.14 0.05 0.29 0.21 0.00 0.25 -0.21 -0.16 -0.21 0.15 -0.13 -0.26 -0.01 0.14 -0.14 0.10 0.17 -0.18 0.03 -0.08 -0.13 0.01 0.02 0.16 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 0.01 0.02 0.02 -0.02 -0.06 -0.01 -0.09 -0.01 0.00 0.08 0.02 0.01 0.12 0.02 -0.03 -0.04 0.06 0.00 -0.05 -0.01 -0.05 -0.26 0.05 0.01 0.03 0.00 -0.06 -0.23 0.06 -0.02 -0.02 0.04 0.00 -0.02 0.01 0.00 0.01 0.01 0.00 0.00 -0.01 0.00 0.02 -0.02 0.00 -0.09 0.00 0.00 0.01 0.00 0.00 -0.03 0.03 0.00 0.01 0.01 -0.01 -0.06 -0.01 -0.02 -0.06 0.03 -0.04 0.41 -0.15 0.20 0.38 -0.06 0.00 -0.01 0.00 0.00 0.00 0.03 0.00 -0.01 -0.02 0.09 -0.03 -0.18 -0.13 0.00 -0.16 0.12 0.10 0.12 -0.09 0.08 0.15 0.00 -0.07 0.07 0.15 0.28 -0.32 -0.02 0.05 0.08 0.00 -0.01 -0.10 -0.01 0.17 0.02 -0.01 -0.05 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 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 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 0.04 0.00 0.00 -0.04 0.00 0.00 0.00 0.28 -0.19 -0.09 -0.32 0.12 0.04 -0.34 0.08 0.06 0.38 -0.06 -0.02 0.00 0.01 0.00 0.00 0.00 0.51 -0.03 -0.03 -0.47 0.05 0.07 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 -0.01 0.01 0.00 0.02 0.00 0.00 -0.03 -0.01 0.00 -0.02 -0.01 0.01 -0.01 -0.03 0.00 0.02 0.00 0.01 0.06 -0.01 -0.01 0.00 0.01 0.01 0.04 -0.02 0.00 0.01 -0.01 0.01 -0.01 0.05 0.00 0.03 -0.04 0.00 -0.08 0.00 0.00 -0.06 0.07 -0.01 0.01 -0.05 0.01 0.11 0.01 -0.01 -0.03 -0.06 -0.01 0.01 -0.07 -0.02 -0.10 -0.03 0.00 0.00 0.01 -0.04 0.01 -0.13 0.11 0.00 -0.07 0.00 -0.01 0.03 0.00 0.03 0.02 0.00 -0.02 0.00 0.25 -0.34 -0.34 -0.38 -0.24 -0.28 -0.17 0.16 -0.21 0.13 0.04 -0.22 0.00 0.12 -0.13 -0.02 -0.03 0.04 -0.03 0.12 0.23 0.06 0.04 0.20 0.00 -0.04 -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 0.00 0.00 0.00 0.00 0.00 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 -0.01 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 -0.05 0.00 -0.02 0.06 0.44 0.25 0.05 -0.45 -0.14 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 -0.01 0.01 -0.01 0.01 0.00 -0.01 0.00 0.00 0.00 0.67 -0.07 0.22 -0.01 0.00 0.01 0.00 0.00 0.01 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 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 -0.01 -0.01 0.00 0.02 0.00 0.00 -0.01 0.02 0.02 0.02 0.00 0.00 0.00 -0.01 0.02 -0.01 0.07 -0.07 0.02 0.05 0.02 0.00 0.00 0.04 0.00 -0.01 0.03 0.00 0.01 -0.03 0.31 -0.15 -0.05 -0.33 0.18 -0.09 0.33 -0.14 0.00 -0.33 -0.03 0.02 -0.04 0.03 0.00 0.03 -0.04 -0.45 0.05 0.07 -0.49 0.06 0.09 0.00 0.02 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 0.01 0.00 -0.02 0.00 -0.02 -0.01 0.01 -0.01 -0.03 -0.01 0.02 0.02 0.00 -0.02 -0.02 0.00 0.00 0.00 0.01 0.03 -0.01 0.03 -0.08 -0.10 0.00 0.01 -0.01 0.00 0.02 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 0.00 -0.04 -0.01 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 0.02 0.00 0.01 -0.03 -0.04 0.16 0.08 0.54 -0.45 0.21 0.34 0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.01 0.04 -0.12 0.00 -0.04 0.00 -0.05 -0.10 -0.01 -0.10 0.09 0.09 -0.14 0.00 -0.04 0.03 0.10 0.26 -0.32 0.09 0.03 0.07 0.10 0.00 0.05 0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 0.06 -0.02 -0.01 -0.02 0.02 0.00 0.03 0.00 0.00 -0.05 -0.01 0.00 -0.04 -0.01 0.02 0.00 -0.05 0.00 0.03 0.00 0.03 0.11 -0.03 -0.01 0.01 0.03 0.03 0.10 -0.03 0.02 0.00 -0.05 0.01 -0.01 0.07 -0.01 -0.05 -0.05 -0.01 -0.03 -0.03 0.01 -0.03 0.08 0.01 0.17 -0.01 0.01 0.07 0.03 0.00 -0.08 0.01 -0.01 0.03 -0.08 -0.01 -0.12 -0.01 0.00 -0.02 0.00 0.04 0.10 0.14 -0.10 0.12 0.09 0.00 -0.03 0.01 0.01 -0.02 0.02 0.01 0.02 -0.04 -0.04 0.21 -0.06 0.04 0.07 0.00 0.31 -0.05 0.34 -0.27 -0.16 0.42 0.00 0.23 -0.19 0.07 0.13 -0.15 -0.14 -0.07 -0.18 -0.13 -0.02 -0.17 -0.01 -0.14 -0.03 0.00 -0.01 -0.01 0.00 0.06 0.02 -0.01 0.01 0.03 0.01 -0.01 -0.03 -0.01 -0.06 0.00 -0.01 -0.03 0.01 -0.01 0.08 0.06 0.01 0.01 -0.03 0.03 0.22 -0.02 -0.01 0.05 0.04 0.02 0.15 -0.01 -0.02 0.10 0.08 -0.01 -0.01 -0.11 0.00 -0.03 0.04 0.01 0.00 0.09 0.00 0.03 -0.04 0.01 0.10 0.07 -0.02 -0.10 -0.05 -0.01 0.19 -0.10 0.01 0.07 0.04 0.04 0.39 0.03 -0.01 -0.02 0.01 -0.02 0.10 -0.06 0.07 0.09 -0.03 0.00 -0.01 -0.01 0.00 0.03 0.00 0.00 0.01 -0.01 0.15 -0.28 -0.14 -0.23 -0.24 -0.09 0.13 -0.06 0.14 -0.10 -0.04 0.17 0.00 0.00 0.00 0.04 0.07 -0.08 -0.02 -0.07 -0.13 0.03 0.05 0.24 0.00 -0.42 -0.01 0.00 -0.03 -0.01 0.00 0.07 -0.02 -0.01 0.02 0.03 0.01 0.01 -0.03 -0.01 -0.06 0.01 -0.01 -0.05 0.00 -0.02 0.08 0.05 0.02 0.00 -0.05 0.03 0.22 -0.01 -0.01 0.06 0.05 0.03 0.18 -0.02 -0.02 0.13 0.11 0.00 -0.07 0.00 0.00 0.02 0.03 0.00 0.00 -0.01 0.00 0.02 -0.03 0.00 -0.10 0.00 0.00 0.02 0.00 0.02 -0.07 0.07 0.00 0.03 0.01 -0.01 -0.09 -0.02 -0.01 -0.02 0.01 -0.02 0.12 -0.08 0.10 0.10 -0.04 0.00 -0.05 0.01 0.00 -0.02 0.02 0.00 -0.03 0.00 -0.11 0.28 0.05 0.17 0.25 0.02 -0.13 0.19 -0.17 0.13 0.19 -0.20 0.00 -0.09 0.09 0.04 0.07 -0.08 0.06 0.18 0.34 -0.05 -0.06 -0.39 -0.01 -0.25 -0.03 0.00 -0.02 -0.01 0.00 0.01 0.01 0.00 -0.02 -0.01 -0.01 0.01 0.02 0.00 0.02 -0.01 0.00 0.01 -0.01 0.03 -0.05 -0.05 -0.01 0.01 0.02 -0.01 -0.07 0.00 0.00 -0.03 -0.02 -0.01 -0.06 0.00 0.01 -0.05 -0.05 -0.01 -0.02 -0.11 0.02 0.27 0.02 0.02 -0.20 0.17 -0.01 -0.20 -0.01 -0.03 -0.39 -0.13 -0.01 0.14 -0.12 -0.05 0.26 -0.34 0.03 0.06 0.17 -0.05 -0.11 -0.19 0.00 0.01 0.00 0.01 -0.04 0.02 -0.03 -0.03 0.01 -0.01 -0.03 -0.08 0.00 -0.01 0.02 0.00 0.01 0.01 -0.08 0.14 0.11 0.13 0.14 0.07 0.11 -0.06 0.15 -0.09 -0.03 0.17 -0.02 -0.03 -0.22 -0.02 -0.02 0.03 -0.02 -0.10 -0.16 -0.01 -0.02 -0.20 0.00 -0.08 0.00 0.00 0.01 0.00 0.01 -0.14 -0.04 -0.04 0.14 0.13 0.05 -0.09 -0.15 0.00 -0.03 -0.01 -0.04 -0.07 0.09 -0.13 0.34 0.35 0.00 -0.04 -0.01 0.03 0.18 -0.02 0.03 0.17 -0.03 0.01 0.28 0.07 -0.05 0.11 0.17 0.00 0.04 0.05 0.00 0.05 -0.02 0.00 -0.03 -0.03 0.00 -0.02 0.00 -0.01 -0.08 -0.04 0.01 0.08 0.01 0.01 -0.07 -0.01 0.00 -0.11 0.03 -0.03 -0.25 -0.05 0.00 -0.01 0.00 -0.01 0.10 -0.05 0.06 0.09 -0.03 0.00 0.07 -0.03 0.00 0.00 -0.02 0.00 0.02 0.01 -0.02 -0.08 0.08 0.02 -0.07 0.07 0.01 -0.14 0.04 -0.03 -0.14 0.04 0.00 -0.05 0.03 0.03 0.05 -0.07 -0.04 -0.14 -0.25 0.04 0.03 0.22 0.04 0.27 -0.02 -0.01 -0.06 0.00 0.00 -0.04 0.01 0.07 0.12 -0.17 -0.05 0.04 0.14 -0.05 -0.18 0.09 0.05 0.05 -0.11 0.04 -0.19 -0.13 0.07 0.02 -0.17 0.03 0.40 0.05 -0.10 -0.05 0.26 0.03 -0.07 -0.12 -0.01 0.30 0.14 0.00 -0.04 0.02 0.00 0.06 0.01 0.00 0.02 -0.03 0.00 0.00 -0.03 -0.01 -0.15 -0.04 0.00 0.03 0.01 0.00 -0.07 0.06 0.00 -0.12 0.05 -0.02 -0.16 -0.02 0.00 0.00 0.01 -0.01 0.05 0.00 0.01 0.04 0.01 0.00 0.10 -0.04 0.00 0.00 -0.01 0.00 0.01 0.01 0.01 -0.10 0.04 -0.02 -0.09 0.04 0.02 -0.11 0.04 -0.03 -0.10 0.05 0.00 -0.11 0.08 0.05 0.10 -0.09 -0.03 -0.13 -0.23 0.04 0.03 0.24 0.00 0.29 0.02 0.01 -0.02 -0.04 0.00 0.23 -0.02 -0.02 -0.14 0.03 0.00 0.08 0.01 0.02 0.11 -0.02 -0.01 -0.09 0.00 0.05 -0.03 -0.13 -0.01 -0.04 0.02 -0.02 -0.20 0.01 0.02 0.02 -0.06 0.03 0.11 -0.02 -0.02 -0.05 0.02 0.00 -0.23 0.06 0.01 0.12 0.01 -0.01 0.12 -0.08 0.00 -0.01 -0.03 -0.02 -0.28 -0.07 0.00 -0.01 0.03 0.05 -0.21 0.27 -0.01 -0.19 0.07 0.00 -0.13 0.02 0.00 -0.01 0.00 -0.01 0.03 -0.04 0.05 0.02 -0.02 0.01 0.17 -0.06 0.00 -0.01 0.00 0.00 -0.01 0.00 0.03 -0.11 -0.02 -0.06 -0.10 -0.01 0.05 -0.09 0.07 -0.04 -0.06 0.08 0.00 -0.14 0.09 0.00 -0.02 0.01 -0.03 -0.15 -0.23 0.03 0.02 0.27 -0.05 -0.44 -0.06 0.00 0.02 0.01 0.00 0.17 -0.01 0.00 0.01 0.02 0.02 -0.17 -0.11 -0.01 -0.19 -0.05 0.01 0.24 0.05 -0.07 0.06 0.19 -0.02 0.18 0.12 0.06 0.22 -0.09 0.00 -0.14 -0.05 -0.09 -0.28 0.10 0.09 -0.13 -0.28 0.00 -0.08 0.01 0.00 -0.13 0.04 0.00 -0.11 0.05 0.00 0.16 -0.09 0.01 0.10 0.09 0.01 0.17 -0.02 -0.01 0.01 -0.10 0.00 -0.13 0.04 -0.04 -0.25 -0.11 0.01 0.03 -0.01 0.03 -0.10 0.08 -0.10 -0.09 0.04 0.00 0.04 -0.01 0.00 0.00 -0.02 0.00 0.01 0.01 -0.03 -0.02 0.07 0.05 -0.02 0.05 -0.05 -0.05 -0.04 0.03 -0.06 -0.05 0.02 -0.14 0.25 -0.03 -0.03 0.05 -0.01 -0.03 -0.07 0.01 0.01 0.08 0.02 -0.25 -0.03 0.00 0.01 0.00 0.00 -0.01 -0.02 0.00 0.12 0.04 0.02 -0.15 -0.10 -0.01 -0.17 -0.02 0.01 0.17 0.04 -0.08 0.10 0.19 -0.01 0.13 0.08 0.05 0.22 -0.06 0.00 -0.09 -0.03 -0.06 -0.17 0.08 0.05 -0.06 -0.16 0.00 -0.12 0.04 0.01 0.25 -0.03 -0.01 0.21 -0.12 0.00 -0.22 0.10 -0.03 -0.28 -0.14 -0.01 -0.24 0.05 0.04 -0.15 0.28 0.00 0.13 -0.04 0.05 0.25 0.14 0.00 0.01 0.00 0.01 -0.05 0.03 -0.04 -0.04 0.01 0.00 -0.01 0.00 0.00 0.00 0.02 0.00 -0.01 -0.01 0.03 0.01 -0.07 -0.05 0.01 -0.05 0.05 0.04 0.04 -0.03 0.05 0.04 -0.02 0.11 -0.26 -0.01 -0.02 0.03 0.01 0.02 0.05 -0.01 -0.01 -0.05 0.00 0.01 -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 0.00 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 -0.02 -0.02 0.04 0.64 -0.04 -0.16 -0.38 0.09 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.01 -0.01 -0.02 0.00 0.01 0.02 0.00 0.01 0.00 0.00 0.00 -0.05 0.26 0.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.01 -0.01 -0.03 0.00 -0.01 -0.03 0.45 0.14 0.16 -0.33 0.20 0.23 -0.38 0.01 0.31 0.40 -0.05 0.22 0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 0.20 -0.12 -0.02 -0.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.03 0.00 -0.01 -0.02 0.00 -0.02 0.00 0.00 0.00 -0.01 -0.01 -0.03 0.00 0.01 0.04 0.45 0.14 0.16 -0.33 0.20 0.23 0.38 -0.01 -0.32 -0.40 0.05 -0.22 0.00 0.01 0.01 0.00 0.01 0.01 -0.01 -0.19 0.12 -0.02 -0.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.01 -0.01 -0.07 0.01 0.01 -0.36 -0.13 -0.14 -0.31 0.21 0.23 0.40 -0.01 -0.36 0.50 -0.07 0.29 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.01 0.01 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.07 -0.01 -0.01 0.06 0.00 0.00 -0.48 -0.17 -0.18 -0.41 0.28 0.31 -0.31 0.01 0.27 -0.38 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.01 -0.03 0.67 -0.04 -0.18 0.40 -0.08 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.01 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 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.04 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 -0.04 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 -0.07 -0.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.01 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 0.06 0.00 0.00 -0.05 0.04 -0.12 -0.03 -0.04 0.11 -0.06 -0.08 0.12 -0.01 -0.09 -0.15 0.01 -0.07 0.00 0.02 0.01 0.00 0.00 0.00 0.02 0.60 -0.37 -0.06 -0.63 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 0.00 0.00 0.00 0.00 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 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.03 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.06 -0.07 -0.23 0.01 0.04 0.14 -0.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.69 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.03 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 -0.01 -0.07 0.00 0.00 -0.05 0.04 0.13 0.03 0.04 -0.12 0.07 0.08 0.10 -0.01 -0.08 -0.13 0.01 -0.06 0.00 0.02 0.01 0.00 0.00 0.00 0.01 0.54 -0.33 0.06 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.31 0.12 0.89 0.00 0.00 0.00 -0.01 0.00 0.02 0.05 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.05 -0.23 0.00 0.00 0.00 0.00 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 -0.01 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 0.02 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 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 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.03 0.22 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.03 -0.02 0.00 0.00 0.00 -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 0.01 0.01 0.09 -0.19 0.93 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 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.02 -0.10 -0.09 0.00 -0.01 0.00 0.00 0.02 -0.02 0.00 0.01 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 0.02 0.00 0.00 0.00 0.03 -0.01 -0.07 0.16 0.35 -0.24 0.00 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 0.00 -0.31 0.13 0.79 0.01 0.02 -0.01 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 0.04 0.14 0.13 0.00 0.00 0.00 -0.01 0.01 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 0.02 0.00 0.00 0.00 -0.01 0.01 0.03 0.13 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.14 -0.06 -0.35 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.03 0.15 0.56 0.51 0.00 0.00 0.00 -0.06 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.01 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 -0.01 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 -0.01 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.03 0.07 -0.05 -0.02 -0.07 0.05 0.05 -0.02 -0.16 0.00 0.00 0.00 0.02 -0.01 -0.05 0.28 0.76 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.04 -0.04 0.00 0.00 0.00 0.01 -0.01 0.05 0.00 0.00 0.00 0.01 0.00 0.00 -0.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -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 0.00 -0.02 -0.05 0.03 0.00 0.00 0.00 -0.01 0.01 0.03 0.27 0.59 -0.40 0.00 0.01 -0.01 -0.01 0.00 0.03 0.00 0.00 0.00 0.11 -0.05 -0.28 -0.04 -0.10 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.02 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.04 -0.05 -0.21 -0.19 0.00 0.00 0.00 0.08 -0.09 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.06 -0.06 0.01 -0.03 0.13 0.00 0.00 -0.01 0.01 0.05 0.05 0.00 0.00 0.00 0.03 -0.03 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 0.02 0.01 0.00 0.01 0.11 0.71 0.65 0.00 0.00 0.00 0.00 -0.02 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 0.01 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.09 -0.20 0.14 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.02 0.01 0.06 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.04 -0.03 0.00 0.01 0.01 0.00 0.01 -0.04 -0.01 0.02 -0.07 0.10 0.38 0.34 0.00 0.00 0.00 0.13 -0.15 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.13 -0.12 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 0.00 0.00 6 6 6 6 6 1 6 1 6 1 1 6 6 6 6 1 6 1 6 1 6 1 1 7 6 6 1 1 1 1 1 1 1 1 1 8 298.150 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 33 34 35 36 6 6 6 6 6 1 6 1 6 1 1 6 6 6 6 1 6 1 6 1 6 1 1 7 6 6 1 1 1 1 1 1 1 1 1 8 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 12.00000 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 14.00307 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 15.99491 240.13884 -0.00774 -0.06451 0.99789 0.99997 0.00191 0.00788 -0.00242 0.99792 0.06449 asymmetric 1 0.07675 0.00657 0.00612 1.59927 0.13688 0.12743 807492.6 49.82 55.21 93.81 126.96 161.52 189.02 211.01 239.39 281.13 296.60 308.38 345.47 393.31 425.36 460.47 486.35 557.21 604.34 622.93 649.80 685.25 716.89 764.06 773.38 787.97 862.86 911.02 927.27 1047.57 1068.70 1077.79 1125.46 1158.46 1186.28 1203.17 1220.91 1241.08 1285.28 1365.49 1374.97 1408.35 1415.33 1434.29 1444.93 1449.73 1466.39 1502.03 1557.95 1631.96 1660.88 1671.89 1699.23 1703.13 1740.48 1745.49 1754.56 1796.97 1824.55 1832.97 1868.55 1920.65 1952.88 1981.22 1999.06 2029.24 2074.38 2115.41 2133.86 2155.44 2158.55 2178.17 2186.08 2189.08 2190.98 2193.11 2197.41 2222.77 2235.50 2250.64 2261.36 2284.91 2328.26 2373.24 2422.85 4397.47 4400.79 4407.61 4494.71 4496.09 4505.62 4550.38 4584.73 4586.70 4600.11 4608.88 4610.20 4642.24 4657.16 4668.42 4672.65 4682.24 4685.13 0.307558 0.324254 0.325198 0.262720 -750.053985 -750.037289 -750.036344 -750.098823 203.472 64.501 131.497 0.000 0.000 0.000 0.889 2.981 42.329 0.889 2.981 33.710 201.695 58.540 55.458 1 0.594 1.983 5.545 2 0.594 1.982 5.341 3 0.597 1.971 4.293 4 0.601 1.957 3.699 5 0.607 1.939 3.229 6 0.612 1.922 2.926 7 0.617 1.906 2.715 8 0.624 1.884 2.476 9 0.636 1.846 2.176 10 0.641 1.831 2.078 11 0.644 1.819 2.006 12 0.657 1.779 1.802 13 0.676 1.722 1.575 14 0.690 1.682 1.441 15 0.706 1.635 1.310 16 0.718 1.600 1.221 17 0.756 1.497 1.011 18 0.783 1.427 0.892 19 0.794 1.398 0.849 20 0.810 1.357 0.791 21 0.833 1.303 0.720 22 0.854 1.254 0.662 23 0.886 1.181 0.585 24 0.893 1.167 0.571 25 0.903 1.145 0.549 26 0.958 1.032 0.450 0.420800e+21 20.624076 47.488690 0.553638e+06 5.743226 13.224265 0.100000e+01 0.000000 0.000000 0.146268e+09 8.165149 18.800950 0.519639e+07 6.715702 15.463475 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.6245 4.1317 0.7445 4.2444 -106.3390 12.3256 -85.3208 3.8418 -1.0739 -10.4985 -46.5609 72.1037 -25.5428 3.8418 -1.0739 -10.4985 6.0812 47.3336 5.4254 -18.2294 -4.1105 -3.9078 -0.0902 26.9933 -14.8293 11.1583 -177.7228 -5014.2850 -811.1998 30.6127 24.1413 182.2027 -200.1783 13.4641 -4.0934 -1632.2313 -180.2580 -1534.0447 12.8317 13.3975 7.9648 0 -750.3615426 7.995E-9 2.628E-6 0.3075577 0.3242539 C01 [X(C16H18N1O1)] -0.2126393 1.621632 0.3173036 -0.0031187 -0.0541837 -0.0328587 -0.1291335 4.7194243 -0.0370837 -0.0314119 0.2517364 0.3201921 -0.0275504 -0.1085357 0.0699814 0.0458364 -3.0253584 -0.1167388 0.0922982 -1.2324704 -0.262984 -0.026253 -0.1611519 -0.0611401 0.019262 0.9258476 0.116648 -0.1073375 1.4827016 0.1295664 -0.0357246 0.0705333 -0.0834268 -0.0190877 1.9342833 0.1563531 -0.0473239 -0.4945853 0.1849894 -0.127182 -0.3785646 -0.1079249 -0.0011985 -1.8661112 -0.0907391 -0.0895358 0.4603214 0.0718724 0.1058682 -0.0634183 0.0300526 -0.0542848 0.0528475 0.0665196 0.0263607 0.0385493 0.0584926 -0.201199 0.5227204 0.0376309 0.0628844 -0.9403077 -0.1732878 0.0264556 -1.5698179 -0.3787116 0.1046082 -0.0041171 0.0591905 0.0062142 0.1098982 -0.0496203 0.048802 0.0158752 -0.0379739 0.2859905 -0.196589 -0.0664013 -0.0085895 3.3980975 0.4734526 -0.0404631 1.713057 0.6183326 0.117703 -0.0263659 0.0588497 0.00714 0.0658123 -0.0285574 0.0551757 -0.0847891 0.0024058 0.1386748 -0.0143549 0.0288567 -0.0349562 -0.059522 0.0511795 0.0324441 0.0679955 0.0817303 0.0017389 -0.1494775 -0.0197935 0.0497311 -3.4076844 0.2047676 -0.0460104 1.1645017 -0.3053142 -0.0492527 -0.0526425 0.0333208 -0.0107172 2.2316345 -0.1987336 -0.0031281 0.5672901 0.198988 -0.0373863 0.0457089 0.0298124 0.0128582 1.3679988 -0.197363 0.0789616 -1.6046375 0.2261807 -0.207038 0.0962126 0.0039197 0.034804 -1.3046935 0.28911 -0.003581 1.6394363 -0.3728129 0.1216117 0.0040462 -0.0180469 -0.0002038 0.0892021 0.0650864 -0.0124045 -0.0197951 -0.0409878 -0.1904024 -0.2031008 0.0590931 -0.0004359 -2.0682904 0.1584917 0.0424719 -0.5644166 0.0618148 0.1145236 -0.0317655 -0.0173952 -0.0295314 0.0646957 -0.073789 -0.0153244 -0.0503569 0.0395225 0.2827126 0.1763128 -0.0395353 0.0141475 3.4087677 -0.596783 -0.0180016 -1.0758903 0.4211548 0.1383942 -0.0389253 -0.0313609 0.0038301 0.0443201 0.0330538 -0.0259937 0.0637738 -0.0227165 0.3669809 0.4201212 0.0116144 0.0845133 1.7950628 -0.0204118 -0.024838 -0.6703426 0.309657 -0.1052535 -0.120904 0.032538 0.0575725 -0.0950747 -0.0165488 0.0474108 0.2015976 0.0630286 -0.0094771 -0.0455326 -0.0918394 -0.0305849 -0.0886352 -0.0298708 -0.0751305 0.2508728 -0.03759 -0.2868445 -0.1646749 0.0059229 -0.0071701 -3.4909946 0.4791508 -0.0246524 1.0360937 -0.6199143 0.242754 -0.040196 0.0305646 -0.0237621 0.4097996 -0.1651154 0.0396587 -0.8738147 0.653196 0.2453272 0.1518902 0.0040284 0.0327763 1.0693365 0.1433024 0.0163539 0.6439768 0.243918 -0.0665929 0.0252769 -0.0737539 -0.0686206 0.0874515 -0.0346768 -0.0188688 0.2270368 -0.0566044 -0.0202073 0.0362341 0.0588444 0.0780858 0.0931154 -0.0741123 0.0202047 0.1990667 -0.0713568 -0.0344317 0.0160208 0.0848617 -0.040231 -0.0612316 0.0066982 0.0597274 -0.2609567 -0.0051764 -0.0513856 -0.0612372 -0.0673948 0.0526425 -0.055394 0.0105563 -0.0650845 -0.2329827 0.020809 0.1470525 0.0066866 -0.0154411 -0.0142261 -0.0301903 -0.0613604 -0.0155182 -0.0632332 0.0424736 0.09324 0.0049964 0.0269106 0.0014498 -0.1402798 -0.0548043 0.0225841 -0.0943266 0.0085246 0.1093088 -0.0039232 -0.0042229 -0.0073699 -0.1140195 0.0464459 0.0022124 0.1144832 0.0252439 0.1055509 -0.0293533 0.0016058 -0.0127886 -0.1471181 0.0537273 -0.0086319 0.0215772 0.0703962 0.098785 0.3658442 0.0082444 -0.0065396 0.1287729 -0.0087814 0.0136038 0.0168497 -0.0700905 -0.3415253 0.0064094 0.0546929 -0.0643163 -4.101463 -0.3261656 0.0485144 -1.2843772 -0.5702559 93.3711683|1.0478796|713.5566865|-10.9355108|-18.1162726|205.1904718 0.000001315 0.000002246 -0.000004821 -0.000000477 -0.000001306 -0.000004334 -0.000001278 0.000002672 0.000005811 0.000000580 -0.000000350 -0.000000360 -0.000000750 -0.000005204 -0.000007130 0.000000102 -0.000000682 -0.000001957 -0.000000784 -0.000003802 -0.000001725 -0.000000614 -0.000001530 -0.000000262 -0.000005576 0.000004951 0.000001775 -0.000002662 0.000000264 0.000000811 -0.000002924 0.000000110 -0.000000395 -0.000000690 -0.000007032 0.000000852 0.000000302 0.000005370 -0.000005717 0.000000654 0.000005723 0.000004710 0.000000817 -0.000005978 0.000001450 0.000001894 -0.000001184 0.000002455 0.000002696 -0.000000973 0.000005311 -0.000001126 -0.000001217 0.000000331 0.000000847 0.000000224 -0.000000065 -0.000000127 0.000002442 -0.000001048 -0.000003741 0.000000271 0.000000007 -0.000003906 0.000001075 -0.000003817 0.000000515 -0.000000575 -0.000002174 0.000002148 -0.000004514 0.000001229 0.000000988 -0.000000868 -0.000001064 0.000000406 0.000002770 0.000002644 -0.000001253 0.000001556 0.000001749 0.000001694 0.000001566 0.000001153 0.000001938 0.000000587 0.000001957 0.000004408 -0.000000493 0.000001026 0.000001070 0.000001041 0.000000768 -0.000003362 0.000000356 -0.000002009 0.000002049 0.000002060 0.000002525 0.000003091 0.000001005 0.000001500 0.000000574 -0.000003432 0.000000775 0.000001180 0.000002850 -0.000001963 222.17729999999997 AuxInfo=1/0/N:25,26,21,13,14,3,4,15,17,5,7,1,12,2,19,9,24,36/E:(1,2)(4,5)(6,7)(8,9)(10,11)/CRV:4.3,5.3,6.3,7.3,8.3,9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3/rA:36nC3C3C3C3C3HC3HC3HHC3C3C3C3HC3HC3HCHHNCCHHHHHHHHHO/rB:s1;s2;s2;s3;s3;s4;s4;s5s7;s5;s7;s1;s12;s12;s13;s13;s14;s14;s15s17;s17;;s21;s21;s19;s24;s24;s25;s25;s26;s26;s15;s21;s26;s25;s1;s9s21;/rC:-.0908,-.3985,1.3056;.0166,-1.6694,.6704;.5085,-1.8842,-.6494;-.3568,-2.8144,1.4232;.5653,-3.149,-1.1869;.9029,-1.0548,-1.2232;-.3242,-4.0883,.8866;-.7058,-2.6818,2.4435;.1329,-4.2668,-.4351;.96,-3.3223,-2.1822;-.6393,-4.9323,1.4873;-.1133,.8981,.7826;.0164,1.9986,1.6935;-.2987,1.232,-.5994;.0525,3.298,1.2704;.12,1.7875,2.7542;-.287,2.5273,-1.0356;-.5162,.4493,-1.3155;-.0772,3.6167,-.1225;-.4649,2.7255,-2.0842;-.1717,-6.6438,-.3699;-1.2295,-6.6012,-.0897;.4474,-6.8021,.5194;-.0304,4.8895,-.5562;-.1751,5.2033,-1.9828;.1574,5.9956,.3901;-1.1571,4.8914,-2.3544;.6053,4.71,-2.5708;-.6675,6.0393,1.109;1.1016,5.8857,.9334;.1747,4.0859,2.0015;-.0105,-7.4537,-1.0805;.1848,6.9337,-.1608;-.0816,6.2789,-2.1204;-.1739,-.4507,2.3909;.2219,-5.4475,-1.0592;