Gaussian 16 GINC-DEPAZ11 ALCAMI Optimization Cadusafos CONF769 gas EM64L-G16RevC.01 4-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 38 38 73 73 492 (5D, 7F) 6-311+G(d,p) 108 108 C1[X(C10H23O2PS2)] C1[X(C10H23O2PS2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 247.20956099999984 0 1 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.7013,.6846,-.6895;-.7119,-1.5178,-.4892;-.2014,.399,.1026;-1.1082,1.3044,-.8676;-.3225,.68,1.5519;2.7444,.271,.7774;-2.282,-1.7419,.4636;4.1093,.9213,.5701;-3.2131,-2.6216,-.3647;2.8473,-1.2316,.9645;-1.9777,-2.3283,1.8294;4.0918,2.4419,.5479;-3.6859,-1.989,-1.6638;-1.1689,2.7217,-.6462;-2.3296,3.0891,.249;2.2538,.7232,1.6409;-2.7391,-.7562,.5768;4.5676,.5314,-.3434;4.7463,.5794,1.3914;-2.7276,-3.5817,-.5633;-4.0779,-2.8511,.2655;1.872,-1.6865,1.1294;3.4696,-1.4554,1.8335;3.2969,-1.7081,.093;-2.9019,-2.4526,2.3979;-1.3172,-1.6761,2.3963;-1.5044,-3.3064,1.7392;3.6382,2.8423,1.4555;3.529,2.8304,-.3002;5.1047,2.8382,.4817;-4.1913,-1.0402,-1.4774;-4.3894,-2.6423,-2.1791;-2.8563,-1.7904,-2.3411;-1.2809,3.1664,-1.6353;-.2254,3.0885,-.2314;-2.3938,4.1736,.3414;-3.2729,2.7336,-.1641;-2.204,2.6708,1.2462; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6476261/Gau-4110209.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6476261/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization Cadusafos CONF769 gas 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 32 32 31 16 16 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 31.9720718 30.9737634 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 1 1 2 2 3 3 4 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 3 6 3 7 4 5 14 8 10 16 9 11 17 12 18 19 13 20 21 22 23 24 25 26 27 28 29 30 31 32 33 15 34 35 36 37 38 2.0807 1.8469 2.0701 1.8502 1.6072 1.4812 1.4358 1.5261 1.5177 1.0913 1.5254 1.5171 1.0925 1.5209 1.0939 1.0941 1.5204 1.094 1.0943 1.0887 1.092 1.0902 1.0922 1.0877 1.0904 1.0908 1.0894 1.0897 1.091 1.0896 1.0893 1.5112 1.0902 1.094 1.0903 1.0894 1.0886 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A62 A63 A64 A65 A66 A67 A68 A69 3 3 1 1 1 2 2 4 3 1 1 1 8 8 10 2 2 2 9 9 11 6 6 6 12 12 18 7 7 7 13 13 20 6 6 6 22 22 23 7 7 7 25 25 26 8 8 8 28 28 29 9 9 9 31 31 32 4 4 4 15 15 34 14 14 14 36 36 37 1 2 3 3 3 3 3 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 6 7 2 4 5 4 5 5 14 8 10 16 10 16 16 9 11 17 11 17 17 12 18 19 18 19 19 13 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 15 34 35 34 35 35 36 37 38 37 38 38 100.5657 100.0329 104.1082 102.055 114.9114 102.1174 115.7962 115.9541 119.136 107.5644 110.9715 106.3694 112.2119 109.4477 110.0754 107.9536 109.8906 107.404 112.8519 108.7381 109.8366 114.6942 109.6502 106.591 110.4294 109.2758 105.7525 114.4447 109.4997 106.8961 110.3654 109.4829 105.7374 111.8101 109.8492 111.2283 107.7228 107.9355 108.1548 110.0556 111.0567 111.0541 108.1102 107.9567 108.5017 111.0786 111.9489 110.7183 107.5802 107.6751 107.6531 111.0997 110.8187 111.7378 107.6487 107.484 107.8718 111.3348 105.4934 110.6669 111.0643 110.8674 107.2113 109.7083 111.1623 111.1423 107.7944 108.144 108.7805 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 6 6 6 3 3 3 7 7 7 3 3 3 1 2 5 3 3 3 1 1 1 10 10 10 16 16 16 1 1 1 8 8 8 16 16 16 2 2 2 11 11 11 17 17 17 2 2 2 9 9 9 17 17 17 6 6 6 18 18 18 19 19 19 7 7 7 20 20 20 21 21 21 4 4 4 34 34 34 35 35 35 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 3 3 3 6 6 6 3 3 3 7 7 7 4 4 4 14 14 14 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 15 15 15 15 15 15 15 15 15 2 4 5 8 10 16 1 4 5 9 11 17 14 14 14 15 34 35 12 18 19 12 18 19 12 18 19 22 23 24 22 23 24 22 23 24 13 20 21 13 20 21 13 20 21 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 36 37 38 36 37 38 36 37 38 -96.8843 157.1536 30.811 -158.6261 78.2826 -41.435 172.2218 -81.8629 45.0744 147.0485 -89.491 29.9543 -80.5828 171.9126 45.0774 -92.5023 146.9218 31.2805 64.8541 -60.0451 -174.0729 -172.819 62.2818 -51.746 -50.3132 -175.2124 70.7598 -60.6371 179.8215 60.1119 178.9915 59.4501 -60.2595 56.8421 -62.6993 177.5911 -65.8666 58.6398 172.7363 172.4884 -63.0052 51.0913 50.3606 174.867 -71.0365 179.45 59.7709 -61.0641 -60.0062 -179.6852 59.4798 61.5021 -58.177 -179.012 55.6122 -64.6742 175.1946 -179.8991 59.8145 -60.3167 -63.9755 175.7381 55.607 -57.1678 -176.797 62.8673 178.7864 59.1572 -61.1785 62.7966 -56.8327 -177.1683 -175.9619 -56.8338 64.4881 -58.7198 60.4083 -178.2699 60.3691 179.4972 -59.1809 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 507 A 492 A 766 507 1565.6696844945 38 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= 5 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. One-electron integral symmetry used in STVInt NBasis= 492 RedAO= T EigKep= 1.10D-05 NBF= 492 NBsUse= 492 1.00D-06 EigRej= -1.00D+00 NBFU= 492 Berny optimization. local minimum Step number 12 out of a maximum of 197 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00211 0.00284 0.00420 0.00476 0.00488 0.00497 0.00557 0.00558 0.00623 0.00811 0.01109 0.01142 0.02141 0.03432 0.03646 0.04139 0.04259 0.04812 0.04824 0.04884 0.04947 0.05206 0.05547 0.05573 0.05590 0.05612 0.05647 0.05659 0.05675 0.05796 0.05805 0.05867 0.05887 0.07616 0.07888 0.08770 0.08808 0.11502 0.11732 0.12538 0.12586 0.13383 0.13670 0.13901 0.15463 0.15864 0.15987 0.15996 0.16000 0.16000 0.16000 0.16002 0.16003 0.16009 0.16021 0.16057 0.16080 0.16107 0.16423 0.17143 0.18711 0.20060 0.20248 0.20375 0.20886 0.21619 0.21973 0.22638 0.22941 0.23986 0.24261 0.25356 0.27139 0.29635 0.29889 0.30165 0.30425 0.30671 0.30986 0.31368 0.32055 0.34249 0.34344 0.34358 0.34362 0.34406 0.34434 0.34573 0.34589 0.34680 0.34710 0.34739 0.34766 0.34785 0.34810 0.34827 0.34851 0.34869 0.34925 0.34951 0.34996 0.35102 0.35172 0.36313 0.36407 0.41270 0.49207 0.82804 -5.44532133e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 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 A62 A63 A64 A65 A66 A67 A68 A69 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 3.99229 3.55245 3.97181 3.55791 3.05944 2.81831 2.75694 2.89964 2.88458 2.06304 2.89926 2.88436 2.06564 2.89258 2.07200 2.07223 2.89203 2.07219 2.07252 2.06194 2.06980 2.06599 2.07051 2.06038 2.06647 2.06769 2.06373 2.06560 2.06793 2.06551 2.06336 2.86766 2.06105 2.06718 2.06777 2.06484 2.06199 1.73279 1.72067 1.85374 1.80587 1.98601 1.78049 2.01502 1.99853 2.08692 1.88921 1.93539 1.83217 1.96518 1.91566 1.92132 1.88963 1.92656 1.84703 1.97532 1.90023 1.92032 2.00514 1.91228 1.85624 1.92752 1.90637 1.84852 2.00096 1.90868 1.86079 1.92801 1.90979 1.84836 1.94780 1.91025 1.93800 1.88543 1.88959 1.89114 1.91104 1.93507 1.93375 1.89350 1.88816 1.90127 1.93367 1.94709 1.93240 1.87998 1.88407 1.88430 1.93355 1.93379 1.94462 1.88356 1.87811 1.88793 1.93334 1.82440 1.90971 1.95279 1.94800 1.89105 1.91538 1.92710 1.92587 1.89146 1.89896 1.90449 -1.71338 2.70212 0.52272 -2.70580 1.41359 -0.66078 3.04257 -1.35477 0.82373 2.62772 -1.48446 0.59276 -1.43906 2.92165 0.73223 -1.56879 2.60821 0.58605 1.16716 -1.01430 -3.00485 -2.97022 1.13151 -0.85904 -0.82337 -3.00483 1.28781 -1.02908 -3.11519 1.08094 3.13436 1.04826 -1.03880 0.99068 -1.09542 3.10071 -1.19658 0.97947 2.97046 2.94498 -1.16215 0.82884 0.80368 2.97973 -1.31247 3.10714 1.01848 -1.09482 -1.05506 3.13946 1.02616 1.07505 -1.01361 -3.12691 0.98137 -1.11300 3.07120 -3.12835 1.06046 -1.03852 -1.10212 3.08669 0.98771 -1.01803 -3.10805 1.07226 3.09933 1.00931 -1.09356 1.07102 -1.01900 -3.12187 -3.07665 -0.99273 1.11411 -1.04852 1.03540 -3.14095 1.07391 -3.12536 -1.01852 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00002 0.00002 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00001 -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 0.00001 -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 0.00004 -0.00005 0.00004 -0.00001 0.00001 -0.00000 -0.00004 -0.00000 0.00001 -0.00000 0.00002 -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 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 -0.00004 -0.00001 0.00000 0.00002 -0.00003 -0.00004 0.00005 -0.00001 -0.00004 -0.00001 -0.00001 -0.00000 0.00002 0.00000 0.00000 0.00002 0.00002 0.00000 -0.00003 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00002 0.00001 0.00001 0.00006 -0.00001 -0.00002 -0.00000 -0.00004 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00002 -0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00002 0.00000 -0.00001 -0.00000 -0.00004 0.00006 0.00003 0.00000 -0.00004 -0.00000 0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00009 -0.00005 -0.00004 -0.00005 -0.00005 -0.00005 0.00034 0.00034 0.00034 0.00017 0.00015 0.00017 -0.00014 -0.00013 -0.00017 -0.00021 -0.00022 -0.00026 -0.00015 -0.00014 -0.00014 -0.00016 -0.00015 -0.00015 -0.00015 -0.00013 -0.00014 -0.00002 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00002 -0.00002 -0.00002 0.00001 0.00005 0.00003 -0.00001 0.00003 0.00001 0.00002 0.00006 0.00004 -0.00002 -0.00004 -0.00003 -0.00000 -0.00002 -0.00002 -0.00004 -0.00006 -0.00005 -0.00026 -0.00025 -0.00025 -0.00027 -0.00026 -0.00027 -0.00026 -0.00025 -0.00026 0.00045 0.00045 0.00045 0.00041 0.00042 0.00041 0.00044 0.00044 0.00044 -0.00003 -0.00002 -0.00002 0.00001 0.00003 0.00002 -0.00001 0.00000 -0.00000 -0.00000 0.00006 0.00001 0.00004 -0.00003 -0.00002 0.00006 -0.00001 -0.00002 0.00000 -0.00002 -0.00002 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00002 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00002 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00004 0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00004 0.00001 -0.00002 0.00003 0.00000 0.00002 0.00003 0.00001 -0.00000 0.00001 -0.00002 -0.00003 -0.00003 -0.00001 0.00003 -0.00001 0.00003 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00002 0.00001 0.00002 -0.00002 -0.00002 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00002 0.00001 0.00002 -0.00000 -0.00001 0.00002 0.00002 -0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00002 -0.00001 -0.00002 0.00000 -0.00009 -0.00008 -0.00007 -0.00008 -0.00006 -0.00005 0.00017 0.00017 0.00017 -0.00014 -0.00014 -0.00012 0.00016 0.00012 0.00014 0.00016 0.00012 0.00014 0.00016 0.00011 0.00014 0.00002 0.00002 0.00003 0.00000 0.00000 0.00001 -0.00000 0.00000 0.00001 0.00014 0.00009 0.00010 0.00014 0.00010 0.00010 0.00009 0.00005 0.00005 -0.00004 -0.00003 -0.00004 -0.00007 -0.00006 -0.00007 -0.00003 -0.00002 -0.00003 -0.00005 -0.00006 -0.00005 -0.00000 -0.00001 -0.00001 -0.00005 -0.00005 -0.00005 0.00002 0.00002 0.00002 0.00006 0.00006 0.00006 0.00006 0.00007 0.00007 -0.00002 -0.00002 0.00000 -0.00003 -0.00004 -0.00001 -0.00001 -0.00002 0.00001 0.00004 0.00002 0.00005 0.00003 -0.00002 -0.00002 0.00002 -0.00002 -0.00001 -0.00000 -0.00001 -0.00002 -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 -0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00002 -0.00000 -0.00000 0.00003 -0.00004 -0.00003 0.00004 0.00000 -0.00008 0.00000 -0.00002 -0.00001 0.00002 0.00001 -0.00001 -0.00002 0.00002 -0.00002 -0.00000 -0.00001 0.00002 0.00003 0.00001 -0.00001 -0.00001 -0.00001 -0.00002 0.00003 -0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00002 0.00001 -0.00000 -0.00002 0.00000 -0.00001 0.00000 0.00003 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00002 -0.00001 -0.00001 -0.00000 -0.00004 0.00004 0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00003 0.00001 -0.00008 -0.00006 -0.00006 -0.00006 -0.00007 -0.00005 0.00025 0.00026 0.00027 0.00009 0.00009 0.00012 0.00003 0.00003 -0.00000 -0.00035 -0.00037 -0.00039 0.00000 -0.00002 -0.00000 -0.00000 -0.00003 -0.00001 0.00001 -0.00002 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00002 -0.00002 -0.00001 0.00014 0.00014 0.00012 0.00013 0.00013 0.00011 0.00011 0.00011 0.00009 -0.00006 -0.00007 -0.00008 -0.00007 -0.00008 -0.00009 -0.00007 -0.00008 -0.00008 -0.00031 -0.00030 -0.00031 -0.00027 -0.00027 -0.00027 -0.00031 -0.00030 -0.00031 0.00047 0.00048 0.00047 0.00047 0.00048 0.00047 0.00050 0.00051 0.00050 -0.00005 -0.00004 -0.00002 -0.00002 -0.00001 0.00001 -0.00002 -0.00001 0.00001 3.99233 3.55247 3.97186 3.55794 3.05942 2.81829 2.75696 2.89962 2.88457 2.06304 2.89925 2.88434 2.06564 2.89260 2.07200 2.07223 2.89203 2.07220 2.07253 2.06194 2.06980 2.06599 2.07051 2.06038 2.06647 2.06769 2.06372 2.06560 2.06793 2.06551 2.06335 2.86765 2.06105 2.06717 2.06777 2.06484 2.06199 1.73278 1.72067 1.85374 1.80589 1.98597 1.78046 2.01507 1.99853 2.08684 1.88921 1.93537 1.83216 1.96520 1.91567 1.92132 1.88961 1.92658 1.84701 1.97532 1.90022 1.92034 2.00517 1.91229 1.85623 1.92752 1.90636 1.84850 2.00099 1.90867 1.86080 1.92799 1.90978 1.84834 1.94782 1.91026 1.93800 1.88541 1.88959 1.89113 1.91104 1.93511 1.93374 1.89349 1.88814 1.90126 1.93367 1.94710 1.93241 1.87997 1.88406 1.88429 1.93356 1.93378 1.94464 1.88355 1.87810 1.88793 1.93330 1.82444 1.90972 1.95281 1.94799 1.89105 1.91539 1.92711 1.92587 1.89145 1.89894 1.90450 -1.71346 2.70206 0.52266 -2.70586 1.41352 -0.66083 3.04282 -1.35451 0.82400 2.62781 -1.48437 0.59288 -1.43903 2.92168 0.73223 -1.56914 2.60785 0.58566 1.16716 -1.01432 -3.00485 -2.97022 1.13148 -0.85905 -0.82336 -3.00484 1.28781 -1.02908 -3.11518 1.08096 3.13436 1.04826 -1.03879 0.99066 -1.09544 3.10070 -1.19644 0.97961 2.97058 2.94512 -1.16202 0.82895 0.80379 2.97984 -1.31238 3.10708 1.01841 -1.09490 -1.05514 3.13938 1.02607 1.07498 -1.01369 -3.12700 0.98107 -1.11330 3.07089 -3.12862 1.06019 -1.03879 -1.10243 3.08639 0.98740 -1.01756 -3.10758 1.07273 3.09980 1.00979 -1.09309 1.07152 -1.01849 -3.12136 -3.07670 -0.99277 1.11409 -1.04854 1.03539 -3.14094 1.07388 -3.12537 -1.01852 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000003 0.001680 0.000355 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -7.711821e-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 2 2 3 3 4 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 3 6 3 7 4 5 14 8 10 16 9 11 17 12 18 19 13 20 21 22 23 24 25 26 27 28 29 30 31 32 33 15 34 35 36 37 38 2.1126 1.8799 2.1018 1.8828 1.619 1.4914 1.4589 1.5344 1.5265 1.0917 1.5342 1.5263 1.0931 1.5307 1.0965 1.0966 1.5304 1.0966 1.0967 1.0911 1.0953 1.0933 1.0957 1.0903 1.0935 1.0942 1.0921 1.0931 1.0943 1.093 1.0919 1.5175 1.0907 1.0939 1.0942 1.0927 1.0912 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A62 A63 A64 A65 A66 A67 A68 A69 3 3 1 1 1 2 2 4 3 1 1 1 8 8 10 2 2 2 9 9 11 6 6 6 12 12 18 7 7 7 13 13 20 6 6 6 22 22 23 7 7 7 25 25 26 8 8 8 28 28 29 9 9 9 31 31 32 4 4 4 15 15 34 14 14 14 36 36 37 1 2 3 3 3 3 3 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 6 7 2 4 5 4 5 5 14 8 10 16 10 16 16 9 11 17 11 17 17 12 18 19 18 19 19 13 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 15 34 35 34 35 35 36 37 38 37 38 38 99.2817 98.5872 106.2116 103.4685 113.7902 102.0146 115.4524 114.5073 119.5716 108.2436 110.8895 104.9756 112.5967 109.7592 110.0837 108.2678 110.3839 105.8269 113.1777 108.875 110.026 114.8861 109.5655 106.3548 110.4389 109.2269 105.9126 114.6464 109.3591 106.6153 110.4666 109.4227 105.9031 111.6009 109.4493 111.0393 108.0271 108.2657 108.3543 109.4946 110.8716 110.7954 108.4895 108.1833 108.9347 110.791 111.5602 110.7182 107.7147 107.9493 107.9624 110.7844 110.798 111.4183 107.9198 107.6079 108.1706 110.7722 104.5303 109.4185 111.8869 111.6122 108.3494 109.7434 110.4146 110.344 108.3724 108.8025 109.1193 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 6 6 6 3 3 3 7 7 7 3 3 3 1 2 5 3 3 3 1 1 1 10 10 10 16 16 16 1 1 1 8 8 8 16 16 16 2 2 2 11 11 11 17 17 17 2 2 2 9 9 9 17 17 17 6 6 6 18 18 18 19 19 19 7 7 7 20 20 20 21 21 21 4 4 4 34 34 34 35 35 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 3 3 3 6 6 6 3 3 3 7 7 7 4 4 4 14 14 14 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 15 15 15 15 15 15 15 15 2 4 5 8 10 16 1 4 5 9 11 17 14 14 14 15 34 35 12 18 19 12 18 19 12 18 19 22 23 24 22 23 24 22 23 24 13 20 21 13 20 21 13 20 21 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 36 37 38 36 37 38 36 37 -98.1693 154.8204 29.9494 -155.031 80.993 -37.86 174.3264 -77.6225 47.1961 150.5574 -85.0531 33.9629 -82.4519 167.398 41.9536 -89.885 149.4396 33.5782 66.8733 -58.1151 -172.1654 -170.1809 64.8307 -49.2196 -47.1755 -172.1639 73.7858 -58.9622 -178.487 61.9335 179.5857 60.0608 -59.5186 56.7619 -62.7629 177.6576 -68.559 56.1195 170.1945 168.7352 -66.5863 47.4888 46.0476 170.7261 -75.1989 178.0261 58.3547 -62.7286 -60.4506 179.878 58.7947 61.5958 -58.0756 -179.159 56.2285 -63.7702 175.9669 -179.2412 60.7601 -59.5029 -63.147 176.8543 56.5914 -58.329 -178.0783 61.4361 177.5788 57.8294 -62.6562 61.3651 -58.3843 -178.8699 -176.279 -56.8792 63.8337 -60.0757 59.3241 -179.963 61.5303 -179.0699 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0410384007 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.7013,.6846,-.6895;-.7119,-1.5178,-.4892;-.2014,.399,.1026;-1.1082,1.3044,-.8676;-.3225,.68,1.5519;2.7444,.271,.7774;-2.282,-1.7419,.4636;4.1093,.9213,.5701;-3.2131,-2.6216,-.3647;2.8473,-1.2317,.9645;-1.9777,-2.3283,1.8294;4.0918,2.4419,.5479;-3.6859,-1.989,-1.6638;-1.1689,2.7217,-.6462;-2.3296,3.0891,.2491;2.2538,.7232,1.6409;-2.7391,-.7562,.5768;4.5676,.5314,-.3434;4.7463,.5794,1.3913;-2.7276,-3.5817,-.5633;-4.0779,-2.8511,.2655;1.872,-1.6865,1.1294;3.4696,-1.4554,1.8335;3.2969,-1.7081,.093;-2.9019,-2.4526,2.3979;-1.3172,-1.6761,2.3963;-1.5043,-3.3064,1.7392;3.6382,2.8423,1.4555;3.529,2.8304,-.3002;5.1047,2.8382,.4817;-4.1913,-1.0402,-1.4774;-4.3894,-2.6423,-2.1791;-2.8563,-1.7904,-2.3411;-1.2809,3.1664,-1.6353;-.2254,3.0885,-.2314;-2.3938,4.1736,.3414;-3.2729,2.7337,-.1641;-2.204,2.6708,1.2462; 0.000000 3.273245 0.000000 2.080670 2.070069 0.000000 2.882540 2.874891 1.607185 0.000000 3.019858 3.024548 1.481225 2.619317 0.000000 1.846852 4.092646 3.024774 4.314607 3.189456 0.000000 4.804617 1.850234 3.007169 3.525609 3.299935 5.423522 0.000000 2.727795 5.505909 4.367279 5.425420 4.545621 1.526080 6.924783 0.000000 5.931971 2.736824 4.291079 4.483003 4.788458 6.720362 1.525409 8.188035 0.000000 2.778629 3.855196 3.563185 5.043134 3.747877 1.517728 5.178848 2.526578 6.358218 0.000000 5.381207 2.763178 3.684492 4.607142 3.444742 5.491896 1.517142 7.014084 2.534972 5.023062 0.000000 3.214622 6.311129 4.775244 5.507895 4.857802 2.565397 7.624752 1.520872 8.934993 3.900986 7.825342 0.000000 6.092585 3.232128 4.578723 4.257349 5.364354 7.239863 2.560818 8.615414 1.520362 7.082651 3.903231 9.220483 0.000000 3.519952 4.266981 2.625184 1.435791 3.117176 4.831836 4.732309 5.707899 5.727935 5.861157 5.681987 5.401772 5.437022 0.000000 4.786498 4.938172 3.433207 2.433894 3.395514 5.828002 4.836017 6.801530 5.811154 6.780861 5.654096 6.460778 5.593323 1.511156 0.000000 2.395356 4.284298 2.915418 4.234759 2.578200 1.091268 5.294972 2.151450 6.715503 2.152069 5.220452 2.743502 7.318323 4.576037 5.342457 0.000000 4.836966 2.413724 2.828288 2.998643 2.975402 5.582408 1.092475 7.050800 2.142675 5.619911 2.149439 7.542482 2.727007 4.007079 3.880847 5.315054 0.000000 2.891177 5.665109 4.791643 5.752105 5.246663 2.156018 7.261986 1.093940 8.395351 2.789016 7.465949 2.161302 8.730214 6.147939 7.379978 3.054240 7.476112 0.000000 3.689532 6.142150 5.115920 6.316843 5.072288 2.116507 7.459598 1.094137 8.756823 2.658630 7.338832 2.146821 9.329106 6.612911 7.594118 2.509047 7.647044 1.744628 0.000000 6.150839 2.885911 4.761492 5.156464 5.331101 6.825230 2.153584 8.264716 1.094037 6.239916 2.803313 9.166445 2.160119 6.493804 6.731854 6.943076 3.046925 8.377752 8.774669 0.000000 6.841926 3.698265 5.061329 5.231711 5.312817 7.520134 2.120064 9.019613 1.094303 7.146240 2.670169 9.738537 2.149138 6.352094 6.192120 7.399865 2.505602 9.303573 9.534214 1.744663 0.000000 2.993178 3.053589 3.114858 4.670534 3.254851 2.171749 4.207331 3.481220 5.381894 1.088679 3.965116 4.723273 6.227628 5.641944 6.421330 2.492822 4.736280 3.788729 3.669371 5.254863 6.123996 0.000000 3.751216 4.783649 4.462151 5.988949 4.361028 2.149774 5.919380 2.766625 7.130946 1.092021 5.516786 4.150784 7.982283 6.716588 7.536068 2.502293 6.373005 3.145166 2.442490 6.976496 7.833939 1.761119 0.000000 2.980404 4.055253 4.083827 5.422334 4.574981 2.165693 5.591238 2.793085 6.589687 1.090189 5.587559 4.249864 7.205881 6.333444 7.395504 3.065156 6.129638 2.611598 3.003134 6.343186 7.464781 1.762020 1.767177 0.000000 6.369001 3.742440 4.549026 5.291138 4.145173 6.474936 2.151985 7.992600 2.785187 6.049689 1.092177 8.734493 4.162573 6.248513 5.971246 6.102527 2.494197 8.497862 8.288622 3.173989 2.467591 4.998640 6.473713 6.655211 0.000000 4.919996 2.952579 3.288225 4.424901 2.693232 4.786245 2.161142 6.287149 3.480161 4.426091 1.087676 7.044979 4.710953 5.349731 5.323763 4.367998 2.485677 6.856398 6.546956 3.792120 3.680011 3.431617 4.824770 5.157078 1.764771 0.000000 5.665899 2.965241 4.255149 5.311410 4.162063 5.636846 2.163161 7.124118 2.795511 4.882733 1.090390 8.110419 4.251455 6.491563 6.618407 5.511009 3.062553 7.478932 7.368197 2.621780 3.000362 3.794142 5.307999 5.321266 1.765249 1.767681 0.000000 3.606699 6.458762 4.747860 5.503590 4.513526 2.805437 7.552987 2.167046 8.950306 4.178988 7.642848 1.090771 9.312022 5.247847 6.093454 2.537985 7.374976 3.072553 2.520486 9.266469 9.662734 4.871929 4.317584 4.762225 8.467446 6.771767 8.020755 0.000000 2.845422 6.076796 4.470941 4.914660 4.784168 2.885701 7.433501 2.176793 8.670912 4.308606 7.840316 1.089401 8.782984 4.711912 5.889943 3.135922 7.274676 2.523080 3.067533 8.962678 9.511226 5.019055 4.787860 4.561335 8.749095 7.145959 8.194699 1.759090 0.000000 4.194429 7.331494 5.852206 6.540136 5.937858 3.499935 8.691491 2.161765 9.985653 4.679018 8.869625 1.089735 10.255777 6.375319 7.442173 3.734274 8.628668 2.508178 2.461350 10.181059 10.804419 5.598481 4.789170 4.907976 9.786308 8.079972 9.111388 1.760426 1.759073 0.000000 6.190170 3.648421 4.526255 3.921023 5.206056 7.409897 2.811667 8.771484 2.167039 7.452555 4.182586 9.210644 1.091009 4.896651 4.847418 7.373806 2.531697 8.970723 9.525355 3.072005 2.515942 6.631431 8.356021 7.680138 4.321562 4.865249 4.764642 9.218242 8.716058 10.261387 0.000000 7.098156 4.200527 5.656440 5.297441 6.441845 8.253417 3.497967 9.616913 2.162482 8.015072 4.688591 10.257503 1.089619 6.441556 6.556492 8.369703 3.725081 9.678327 10.324134 2.500945 2.473187 7.145929 8.903550 8.069325 4.816421 5.595225 4.910959 10.379463 9.807217 11.280725 1.760227 0.000000 5.442945 2.846508 4.220680 3.847752 5.261033 6.733688 2.863333 8.021751 2.173623 6.615913 4.295854 8.633398 1.089250 5.106779 5.549408 6.949024 3.098018 8.030975 8.794703 2.527029 3.067813 5.866163 7.586620 6.617685 4.785309 4.982496 4.557937 8.834882 8.141846 9.631794 1.758078 1.761309 0.000000 3.993458 4.855818 3.441468 2.021452 4.154372 5.514302 5.431291 6.241657 6.232876 6.568369 6.533026 5.844414 5.688791 1.090188 2.157854 5.403429 4.733465 6.543526 7.223579 6.984168 6.902564 6.413574 7.480661 6.906766 7.104052 6.301151 7.302966 5.818552 5.003105 6.735452 5.117607 6.610505 5.248783 0.000000 3.114660 4.639125 2.710231 2.089776 2.998409 4.216122 5.295829 4.912072 6.445927 5.434629 6.054650 4.434337 6.309354 1.094025 2.158304 3.904685 4.664024 5.433660 5.800546 7.131851 7.096982 5.389882 6.209940 5.959758 6.691876 5.549605 6.812733 4.222947 3.763908 5.383456 5.858911 7.346750 5.931004 1.758189 0.000000 5.477780 5.992586 4.371616 3.368512 4.238058 6.466944 5.917859 7.274584 6.880761 7.554719 6.682922 6.715952 6.608138 2.140961 1.090335 5.932466 4.947437 7.886461 8.062338 7.815032 7.224121 7.290947 8.263823 8.187748 6.956612 6.292910 7.661267 6.276801 6.107012 7.617817 5.807097 7.536024 6.555847 2.481974 2.491464 0.000000 5.405305 4.973880 3.867246 2.687681 3.983351 6.569508 4.626756 7.636731 5.359368 7.379260 5.592362 7.404734 4.972195 2.158508 1.089443 6.151771 3.607319 8.145890 8.447890 6.351412 5.658784 6.905057 8.185284 7.934500 5.796491 5.461359 6.575124 7.099117 6.803926 8.403121 4.099999 5.848726 5.037848 2.513823 3.068792 1.761175 0.000000 4.789946 4.773144 3.237180 2.745174 2.756282 5.519539 4.482311 6.585987 5.623459 6.389362 5.038083 6.338508 5.690144 2.157586 1.088554 4.880673 3.532513 7.277294 7.259564 6.530146 5.913100 5.967668 7.039866 7.124872 5.297500 4.583120 6.038181 5.848426 5.940030 7.350514 5.013873 6.688645 5.761681 3.066013 2.504474 1.764367 1.770716 0.000000 C10H23O2PS2 C1 1 C1 1 C1 1 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.7674,.0143,-.9749;-1.3144,-1.0374,-.6422;.0144,.3724,.0872;-.521,1.7255,-.5951;.1731,.4076,1.5595;2.684,-1.0424,.2309;-2.7253,-.7864,.5282;4.1665,-.9652,-.123;-4.0203,-1.0531,-.2324;2.1627,-2.4677,.2101;-2.5575,-1.6848,1.7392;4.7893,.4119,.0467;-4.3136,-.058,-1.3438;.0444,2.9824,-.1928;-.7542,3.6119,.9251;2.5217,-.5985,1.2145;-2.71,.261,.8386;4.3209,-1.3312,-1.1423;4.6809,-1.6771,.5294;-4.008,-2.073,-.628;-4.8312,-1.0294,.502;1.1093,-2.517,.4806;2.7187,-3.0763,.9264;2.2772,-2.9155,-.7772;-3.384,-1.5316,2.4365;-1.6291,-1.4665,2.2621;-2.5525,-2.7359,1.4494;4.6429,.7864,1.0606;4.3586,1.1409,-.6387;5.8622,.3756,-.1409;-4.3498,.962,-.9583;-5.2759,-.2696,-1.8092;-3.5523,-.0868,-2.1223;.0289,3.6078,-1.0856;1.0918,2.8592,.098;-.3455,4.5949,1.1606;-1.7965,3.7449,.6373;-.7145,3.0033,1.8268; 0.6157718 0.2738154 0.2226589 -88.85009 -88.84908 -77.16863 -19.15731 -19.08990 -10.23567 -10.21349 -10.21197 -10.17826 -10.17730 -10.16531 -10.16318 -10.16111 -10.16090 -10.15827 -7.93829 -7.93731 -6.65371 -5.90158 -5.90075 -5.89819 -5.89727 -5.89252 -5.89126 -4.81573 -4.81490 -4.81402 -1.07331 -0.98208 -0.83882 -0.83488 -0.78137 -0.75519 -0.74836 -0.72762 -0.70979 -0.65280 -0.64117 -0.63786 -0.59097 -0.57238 -0.55486 -0.50782 -0.49532 -0.48437 -0.45715 -0.44807 -0.44533 -0.44458 -0.44048 -0.43668 -0.42317 -0.42199 -0.40833 -0.39952 -0.39292 -0.38466 -0.38144 -0.37417 -0.35955 -0.35897 -0.35607 -0.35410 -0.34914 -0.34486 -0.33946 -0.33038 -0.32575 -0.31501 -0.29944 -0.28808 -0.25617 -0.25162 -0.01661 0.00088 0.00381 0.00950 0.01333 0.01665 0.02125 0.02199 0.02428 0.03312 0.03432 0.04121 0.04325 0.04819 0.05308 0.05569 0.05765 0.06892 0.06931 0.07137 0.07409 0.07718 0.07887 0.08056 0.08328 0.08941 0.09126 0.09228 0.09511 0.10139 0.10605 0.10872 0.11078 0.11350 0.11810 0.12033 0.12460 0.13044 0.13391 0.13967 0.14318 0.14944 0.15329 0.15473 0.15902 0.16212 0.16771 0.17001 0.17286 0.17682 0.17970 0.18152 0.18443 0.18948 0.19030 0.19193 0.19699 0.19981 0.20506 0.20733 0.20955 0.21076 0.21466 0.21956 0.22190 0.22427 0.22922 0.23126 0.23759 0.23809 0.24232 0.24719 0.24789 0.25871 0.26138 0.26432 0.26914 0.27371 0.28063 0.28221 0.28691 0.29084 0.29684 0.30229 0.30836 0.31511 0.31654 0.32315 0.32716 0.33492 0.34008 0.34600 0.34836 0.35660 0.36352 0.36784 0.37194 0.38016 0.38976 0.39904 0.40680 0.40782 0.41926 0.41999 0.42608 0.43262 0.43400 0.43807 0.44906 0.45062 0.45423 0.47155 0.48137 0.49267 0.49616 0.50471 0.50601 0.51909 0.52880 0.53459 0.54820 0.54882 0.55914 0.56464 0.56826 0.57625 0.58216 0.58388 0.59662 0.60948 0.61468 0.62365 0.62769 0.63184 0.63921 0.64789 0.65146 0.66209 0.67219 0.67653 0.68162 0.68591 0.69055 0.69337 0.69748 0.69908 0.70437 0.70451 0.71152 0.72039 0.73182 0.73443 0.73633 0.74159 0.75253 0.75704 0.76253 0.77075 0.77287 0.78682 0.78956 0.79706 0.80726 0.82563 0.83273 0.84035 0.85966 0.86804 0.87150 0.87843 0.90469 0.90959 0.92101 0.92895 0.94712 0.96171 0.97670 0.98596 0.99793 1.01195 1.02761 1.03597 1.04233 1.04678 1.06356 1.07685 1.08711 1.10606 1.11462 1.12045 1.12927 1.14642 1.15070 1.16216 1.18790 1.20847 1.23137 1.24173 1.25174 1.25874 1.26646 1.29094 1.29462 1.36071 1.36425 1.37993 1.39556 1.40213 1.41301 1.42163 1.44475 1.46863 1.47624 1.47858 1.48237 1.49144 1.49480 1.50867 1.53540 1.53666 1.54057 1.56100 1.56632 1.57220 1.57458 1.57617 1.58125 1.58392 1.58701 1.59197 1.60180 1.60372 1.61249 1.61492 1.62108 1.62715 1.63117 1.63845 1.64881 1.65435 1.66410 1.67069 1.68890 1.70331 1.70630 1.71347 1.73494 1.73910 1.76188 1.76280 1.76573 1.77612 1.78844 1.79524 1.80015 1.81392 1.82407 1.83651 1.84725 1.85097 1.85735 1.86105 1.89701 1.91461 1.93335 1.94253 1.94622 1.95173 1.98298 1.99411 2.00585 2.02160 2.03747 2.04815 2.06610 2.07413 2.07833 2.08831 2.10884 2.11885 2.13251 2.16046 2.16383 2.18423 2.18811 2.19148 2.21362 2.22145 2.25142 2.26318 2.29543 2.30408 2.31462 2.32235 2.35943 2.36110 2.38548 2.38725 2.42115 2.42299 2.46619 2.48120 2.48272 2.49199 2.49593 2.50147 2.50526 2.52064 2.52304 2.55259 2.56218 2.56721 2.57000 2.57572 2.58174 2.58562 2.58985 2.60882 2.61239 2.62808 2.63287 2.63492 2.64115 2.64942 2.65781 2.66622 2.67408 2.67821 2.68331 2.69959 2.70299 2.71339 2.72073 2.73128 2.74854 2.75860 2.79279 2.80794 2.81891 2.84744 2.85157 2.85923 2.88458 2.89556 2.90795 2.91674 2.92825 2.92989 2.96168 2.96847 2.98443 3.00544 3.02951 3.04566 3.10523 3.12468 3.17793 3.20101 3.27443 3.28087 3.29053 3.33528 3.45546 3.46610 3.59225 3.78409 3.78637 3.80937 3.81502 3.81877 3.82014 3.82103 3.82299 3.82732 3.82903 3.83388 3.84062 3.84178 3.99600 4.01503 4.01812 4.19061 4.19329 4.24439 4.33197 4.33634 5.07657 5.09276 5.15979 5.17081 5.26237 5.50423 7.24532 7.97407 8.00504 14.01992 14.03145 14.08548 17.39330 17.41826 17.46379 17.50178 17.53167 17.56516 23.79500 23.80414 23.85287 23.88337 23.88624 23.97015 23.97600 23.98144 23.99326 23.99610 49.91335 49.95071 163.37776 189.17155 189.20204 1-A. -0.0490 0.4513 0.0466 0.4563 -105.2168 -110.0869 -125.2341 -0.9718 -1.1917 -1.1241 8.2958 3.4257 -11.7215 -0.9718 -1.1917 -1.1241 -0.9958 37.5322 -3.2281 2.3692 -14.0683 9.1049 -1.6097 0.2811 2.8752 -2.2954 -4704.4002 -1832.6372 -725.1953 -18.5349 -3.2507 -0.7856 -2.3492 -2.3814 -7.2878 -1130.6255 -925.9437 -437.4115 2.2087 3.6904 -2.2016 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.7974,.6366,-.7951;-.7184,-1.5933,-.5533;-.132,.3436,.0141;-1.077,1.2689,-.9196;-.2238,.6395,1.473;2.8276,.2451,.7279;-2.3337,-1.6913,.409;4.1747,.9676,.5954;-3.2912,-2.6178,-.3516;2.9857,-1.2628,.9052;-2.0716,-2.1444,1.8428;4.0946,2.4952,.6518;-3.7909,-2.0618,-1.687;-1.1843,2.6975,-.6437;-2.3197,2.9749,.3241;2.2648,.6639,1.5644;-2.7445,-.6784,.4058;4.6759,.6442,-.3246;4.8005,.6081,1.421;-2.8133,-3.5939,-.4974;-4.1461,-2.7978,.3114;2.0191,-1.7591,1.005;3.5656,-1.4645,1.8122;3.5117,-1.7049,.0548;-3.0155,-2.1625,2.3989;-1.3865,-1.4622,2.3467;-1.6461,-3.1516,1.86;3.6072,2.8247,1.5743;3.5243,2.8984,-.1877;5.0944,2.9362,.6229;-4.3067,-1.1077,-1.5418;-4.4926,-2.7551,-2.1579;-2.9657,-1.8889,-2.3808;-1.3613,3.1521,-1.6192;-.2287,3.0666,-.2601;-2.4277,4.0543,.4677;-3.2608,2.5841,-.0704;-2.1168,2.5101,1.2902; 0.000000 3.370470 0.000000 2.112630 2.101791 0.000000 2.945775 2.907801 1.618988 0.000000 3.037990 3.055487 1.491386 2.616963 0.000000 1.879874 4.194646 3.046020 4.359844 3.165721 0.000000 4.892283 1.882765 3.023914 3.479584 3.319029 5.521719 0.000000 2.773881 5.640954 4.390324 5.474145 4.497225 1.534421 7.033018 0.000000 6.056511 2.776606 4.345583 4.509099 4.831949 6.841091 1.534221 8.336164 0.000000 2.812537 3.994599 3.618645 5.122993 3.773913 1.526455 5.359610 2.546463 6.543320 0.000000 5.446249 2.806495 3.646441 4.502374 3.361757 5.563696 1.526340 7.089258 2.554778 5.218532 0.000000 3.290126 6.429082 4.785405 5.542416 4.771458 2.583450 7.675158 1.530690 9.038766 3.926352 7.808128 0.000000 6.269458 3.308338 4.697601 4.364415 5.477822 7.413349 2.579580 8.822572 1.530397 7.299343 3.927132 9.403057 0.000000 3.627807 4.316982 2.660988 1.458911 3.104506 4.898042 4.657324 5.765992 5.725073 5.955826 5.514902 5.439309 5.525742 0.000000 4.865316 4.919627 3.435984 2.449809 3.341651 5.840363 4.666970 6.802983 5.716485 6.814944 5.345588 6.440610 5.619350 1.517501 0.000000 2.405498 4.298787 2.872437 4.207662 2.490482 1.091714 5.294149 2.163079 6.731280 2.160185 5.173881 2.744921 7.394146 4.572519 5.281814 0.000000 4.878554 2.421206 2.832521 2.886063 3.038040 5.657285 1.093091 7.114857 2.152613 5.781585 2.160383 7.543598 2.718163 3.864209 3.678774 5.313952 0.000000 2.916676 5.844410 4.829174 5.817208 5.219079 2.164136 7.424728 1.096453 8.609054 2.829452 7.615987 2.171956 8.992516 6.217689 7.402156 3.063028 7.572679 0.000000 3.732295 6.261155 5.136006 6.360798 5.024691 2.122385 7.563541 1.096576 8.889522 2.657007 7.414860 2.156617 9.518402 6.666789 7.583040 2.540310 7.720946 1.750424 0.000000 6.264519 2.897267 4.791146 5.180764 5.339441 6.932435 2.161398 8.416305 1.096558 6.405468 2.850924 9.279925 2.172127 6.500517 6.638331 6.940295 3.052993 8.606955 8.905444 0.000000 6.953024 3.734676 5.105870 5.241480 5.343103 7.620037 2.125779 9.137580 1.096733 7.319295 2.660052 9.800059 2.158985 6.315258 6.054701 7.392835 2.542688 9.491045 9.637078 1.750523 0.000000 3.004725 3.154318 3.167076 4.739076 3.317098 2.178752 4.393899 3.499900 5.547710 1.091134 4.193397 4.746701 6.410525 5.730710 6.457533 2.498832 4.921320 3.821277 3.675948 5.382949 6.290497 0.000000 3.786670 4.895378 4.491618 6.040554 4.347638 2.154791 6.068059 2.786968 7.281995 1.095289 5.678143 4.160036 8.168182 6.776093 7.520650 2.506710 6.512591 3.200891 2.444155 7.110474 7.968736 1.769159 0.000000 3.023850 4.275054 4.180282 5.554241 4.632701 2.173376 5.856108 2.806117 6.875907 1.093274 5.879093 4.282174 7.515963 6.474703 7.481917 3.073255 6.349619 2.649098 2.979489 6.624139 7.739693 1.770196 1.774554 0.000000 6.418740 3.783675 4.503585 5.152181 4.062277 6.536837 2.155549 8.046725 2.801484 6.249443 1.095667 8.677575 4.159997 6.019129 5.584022 6.047073 2.499701 8.628619 8.350005 3.237009 2.457550 5.239594 6.643982 6.950460 0.000000 4.940929 2.978896 3.205580 4.268957 2.555866 4.826335 2.168937 6.316495 3.499185 4.608024 1.090306 6.969653 4.734109 5.127045 4.964856 4.297024 2.495218 6.951655 6.589512 3.830029 3.679979 3.672392 4.980830 5.413319 1.773964 0.000000 5.766927 3.018807 4.232778 5.252774 4.067589 5.729984 2.170411 7.242180 2.807614 5.092444 1.093529 8.142589 4.285955 6.379176 6.351915 5.471821 3.072204 7.690807 7.475727 2.667510 2.962075 4.012977 5.478143 5.652845 1.773153 1.777172 0.000000 3.698315 6.538896 4.751011 5.530114 4.411641 2.824716 7.552919 2.174681 8.995474 4.188318 7.550765 1.094176 9.447067 5.281529 6.059262 2.543891 7.347265 3.082663 2.522080 9.312062 9.660358 4.884434 4.296087 4.778690 8.331470 6.626589 7.962148 0.000000 2.909790 6.189464 4.464975 4.935824 4.680670 2.892060 7.465699 2.182710 8.769591 4.335906 7.801735 1.092078 8.964564 4.734853 5.866873 3.106317 7.241781 2.535048 3.076061 9.078048 9.567162 5.037880 4.799665 4.609742 8.664408 7.039439 8.217576 1.765513 0.000000 4.262464 7.462422 5.865727 6.576053 5.854949 3.520138 8.754110 2.172933 10.105120 4.707154 8.868586 1.093069 10.452909 6.409584 7.420226 3.749116 8.634829 2.515149 2.478544 10.316400 10.879423 5.625692 4.808103 4.936308 9.742725 8.019882 9.166523 1.768949 1.767400 0.000000 6.392169 3.753494 4.685609 4.057858 5.367572 7.607813 2.835327 8.989333 2.174435 7.693540 4.186375 9.400733 1.094302 5.003497 4.908823 7.481429 2.533263 9.232393 9.729445 3.082566 2.513220 6.850253 8.564406 8.002071 4.278812 4.875827 4.777943 9.370367 8.899761 10.460295 0.000000 7.274914 4.262468 5.773563 5.421472 6.551977 8.420985 3.518742 9.826522 2.173642 8.217887 4.715858 10.449837 1.093022 6.555013 6.611669 8.438455 3.733710 9.948695 10.510939 2.506096 2.493761 7.307361 9.075275 8.370616 4.826649 5.622341 4.939953 10.520007 10.005660 11.490523 1.768683 0.000000 5.619595 2.911594 4.330085 3.959090 5.363043 6.912298 2.867334 8.246380 2.180536 6.827062 4.324743 8.846742 1.091881 5.217873 5.602716 7.031371 3.046173 8.308936 9.000114 2.545034 3.076846 6.027320 7.772955 6.922635 4.787721 5.002537 4.617386 9.003609 8.357503 9.862459 1.764252 1.769533 0.000000 4.121234 4.905926 3.473665 2.028888 4.143436 5.613047 5.340146 6.350086 6.214683 6.690293 6.367309 5.946086 5.752560 1.090660 2.174003 5.429127 4.548169 6.664320 7.326809 6.991044 6.847090 6.514055 7.573764 7.080899 6.864798 6.084449 7.205714 5.915409 5.097289 6.837346 5.179419 6.707427 5.344697 0.000000 3.208789 4.694749 2.738471 2.094329 2.982304 4.275253 5.245584 4.952494 6.457522 5.516675 5.913821 4.455196 6.405167 1.093904 2.173077 3.914004 4.560446 5.470550 5.844875 7.148353 7.075582 5.471753 6.262749 6.071004 6.494600 5.352195 6.720865 4.258832 3.757396 5.397344 5.974722 7.461543 6.045331 1.771257 0.000000 5.579112 5.988257 4.386885 3.392196 4.186619 6.495776 5.746614 7.289365 6.777389 7.600462 6.359341 6.708550 6.626263 2.149873 1.094214 5.892111 4.743623 7.919391 8.064170 7.718449 7.065963 7.338757 8.257356 8.283407 6.536267 5.919978 7.380642 6.257496 6.098436 7.606251 5.849276 7.584518 6.612480 2.511193 2.518073 0.000000 5.468453 4.914100 3.849247 2.687026 3.922591 6.570926 4.400999 7.638287 5.209606 7.400662 5.237726 7.391334 4.947650 2.157191 1.092668 6.073956 3.337247 8.174317 8.432885 6.208930 5.467582 6.920817 8.156953 8.017420 5.356096 5.072329 6.263600 7.066336 6.793370 8.391282 4.109523 5.863651 5.043162 2.515828 3.076147 1.773394 0.000000 4.814531 4.710885 3.203386 2.739566 2.667543 5.467486 4.298297 6.514990 5.510913 6.357570 4.687434 6.244150 5.706930 2.155168 1.091158 4.762611 3.367906 7.227037 7.175202 6.398424 5.766289 5.950894 6.954126 7.139533 4.885687 4.174789 5.709756 5.739702 5.844365 7.254491 5.089611 6.727281 5.792124 3.073684 2.505625 1.776956 1.779206 0.000000 C10H23O2PS2 C1 1 C1 1 C1 1 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8146,-.0307,-1.0662;-1.3496,-1.112,-.6431;.0319,.3319,.008;-.5483,1.6831,-.6694;.2254,.4139,1.4845;2.7526,-1.0201,.2281;-2.7515,-.7181,.5504;4.2545,-.8688,-.0471;-4.0788,-1.0703,-.1338;2.3009,-2.4782,.2313;-2.5448,-1.4505,1.8735;4.8101,.5411,.1686;-4.4486,-.1669,-1.3124;-.0342,2.9802,-.2432;-.8475,3.5271,.9155;2.5024,-.548,1.1801;-2.7119,.3624,.7105;4.4788,-1.2175,-1.0621;4.7641,-1.5652,.6296;-4.0585,-2.1208,-.4475;-4.8565,-1.0016,.6364;1.2327,-2.5673,.4355;2.8418,-3.0258,1.0106;2.5068,-2.955,-.7307;-3.3487,-1.1838,2.5685;-1.5915,-1.1749,2.3253;-2.5672,-2.5337,1.7253;4.6011,.8897,1.1845;4.3671,1.2577,-.5263;5.8934,.5563,.0235;-4.5122,.8786,-.9954;-5.4178,-.4512,-1.7302;-3.704,-.2257,-2.1089;-.1141,3.6108,-1.1294;1.0239,2.8844,.0171;-.4903,4.5275,1.178;-1.9024,3.5993,.6401;-.7492,2.8785,1.7874; 0.6234620 0.2632574 0.2184144 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 499 499 499 499 499 MxSgAt= 38 MxSgA2= 38. 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. One-electron integral symmetry used in STVInt NBasis= 492 RedAO= T EigKep= 1.18D-05 NBF= 492 NBsUse= 492 1.00D-06 EigRej= -1.00D+00 NBFU= 492 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 499 499 499 499 499 MxSgAt= 38 MxSgA2= 38. 1 -1.92932610e-02 1.77551740e-01 1.83510191e-02 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 16 16 15 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.003526470 0.004894102 -0.009621177 0.004259246 -0.007086714 -0.006275462 0.002243083 -0.004564367 -0.002908821 -0.003911578 -0.003147677 -0.003077095 -0.001875314 0.003476752 0.009716277 0.002105653 -0.000948938 0.004239016 -0.003955627 0.000058081 0.002235087 0.003045337 -0.000742431 0.000893120 -0.002382032 -0.002268932 0.000589648 -0.000423625 -0.004439657 0.001962558 0.000334860 -0.000533694 0.004889542 0.001485823 0.003995097 -0.000310387 -0.002100307 0.000616960 -0.003737622 -0.000594282 0.012430765 -0.001054637 -0.002929625 0.001239116 0.002630249 -0.001225235 0.000450932 0.000080158 0.000529404 0.001032758 -0.000443672 0.000478471 -0.000681216 -0.001659900 0.000873976 -0.000544623 0.001289078 0.001171058 -0.001516680 -0.000295845 -0.001330137 -0.000314455 0.001099737 -0.001378903 -0.000549702 0.000247671 0.001375735 -0.000066302 0.001853949 0.000964388 -0.000530629 -0.001857676 -0.002210174 -0.000183716 0.000944774 0.001353082 0.001671550 0.000818095 0.000865494 -0.001983794 -0.000590392 -0.001170182 0.000580241 0.002033034 -0.000959242 0.000436181 -0.001300493 0.002260539 0.000892219 -0.000126401 -0.000864405 0.002049982 0.000703116 -0.001624182 -0.001531246 -0.001133623 0.001329487 0.000412351 -0.000749861 -0.000271898 -0.000576117 -0.001494275 0.001138167 -0.001674333 0.000462839 0.000212054 0.002825213 0.000034209 -0.001381355 -0.001506968 -0.001545675 0.001035776 -0.001670109 0.001460861 0.012430765 0.002715347 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1683.46247279300 -1683.46247325689 -0.000000463887 -1683.46247325317 0.000000003721 -1683.46247326348 -0.000000010309 -1683.46247326365 -0.000000000172 -1683.46247326377 -0.000000000115 -1683.46247326370 0.000000000065 -1683.46247326366 0.000000000038 -1683.46247326 8 1.679285614152e+03 -7.077867901092e+03 2.164302112363e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415053491 LenY= 1414795935 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT41544.700S Wed Sep 4 19:11:00 2024 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 37 38 S S P O O C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 0.132469 0.396681 -0.848943 0.003656 -0.152380 0.149977 0.163548 -0.137762 -0.152047 -0.748871 -0.726387 -0.561049 -0.544132 -0.240118 -0.396078 0.232691 0.198834 0.157393 0.143681 0.152005 0.142213 0.197940 0.132816 0.161326 0.133999 0.194951 0.154474 0.138329 0.146740 0.140581 0.131855 0.139763 0.155100 0.163851 0.181106 0.141963 0.145099 0.174727 -0.00000 -88.85267 -88.85208 -77.17191 -19.15593 -19.09009 -10.23782 -10.21700 -10.21460 -10.18030 -10.18001 -10.16758 -10.16571 -10.16272 -10.16203 -10.16110 -7.93972 -7.93916 -6.65584 -5.90310 -5.90268 -5.89980 -5.89932 -5.89394 -5.89310 -4.81791 -4.81711 -4.81621 -1.06372 -0.97758 -0.83186 -0.82879 -0.77798 -0.75188 -0.74578 -0.72453 -0.70697 -0.65038 -0.63988 -0.63721 -0.58844 -0.57192 -0.55252 -0.50325 -0.48985 -0.48043 -0.45665 -0.44706 -0.44332 -0.44192 -0.43892 -0.43535 -0.42106 -0.41973 -0.40817 -0.39952 -0.39216 -0.38473 -0.38152 -0.37263 -0.35972 -0.35775 -0.35648 -0.35313 -0.34907 -0.34466 -0.34015 -0.32815 -0.32306 -0.31422 -0.29785 -0.28696 -0.25603 -0.25232 -0.02390 -0.00163 0.00130 0.00639 0.01068 0.01345 0.02060 0.02134 0.02189 0.03291 0.03477 0.04031 0.04314 0.04769 0.05164 0.05269 0.05719 0.06745 0.06826 0.07008 0.07296 0.07649 0.07746 0.07865 0.08227 0.08666 0.08989 0.09185 0.09397 0.10140 0.10519 0.10721 0.11054 0.11232 0.11517 0.11939 0.12253 0.12806 0.13286 0.13937 0.14269 0.14594 0.15044 0.15442 0.15635 0.15966 0.16350 0.16747 0.17019 0.17510 0.17723 0.18031 0.18350 0.18673 0.18788 0.19226 0.19479 0.19760 0.20536 0.20733 0.20846 0.21085 0.21216 0.21704 0.22135 0.22432 0.22731 0.22940 0.23637 0.23764 0.24201 0.24658 0.24728 0.25505 0.25985 0.26312 0.26776 0.27047 0.27859 0.28102 0.28396 0.28849 0.29386 0.30271 0.30408 0.31238 0.31836 0.32177 0.32649 0.33449 0.33597 0.34864 0.34875 0.35347 0.36166 0.36489 0.37259 0.38012 0.38804 0.39623 0.40305 0.40750 0.41743 0.41985 0.42522 0.43196 0.43239 0.43446 0.44734 0.45503 0.45849 0.46800 0.48186 0.48915 0.49116 0.50366 0.50943 0.52223 0.52776 0.53002 0.54197 0.54692 0.55365 0.56108 0.56583 0.57135 0.57530 0.57755 0.58986 0.60425 0.61037 0.61827 0.62150 0.63069 0.63940 0.64495 0.64913 0.65949 0.66752 0.67260 0.67740 0.67969 0.68691 0.69239 0.69613 0.69919 0.69954 0.70285 0.70786 0.71726 0.72793 0.73211 0.73821 0.74033 0.75011 0.75577 0.76228 0.76882 0.77324 0.78259 0.78679 0.79330 0.80824 0.81976 0.82678 0.83982 0.85544 0.86415 0.86987 0.88309 0.89492 0.90638 0.91557 0.92895 0.94277 0.95499 0.96795 0.98986 0.99224 1.00203 1.01716 1.02712 1.03731 1.04830 1.06902 1.07629 1.08568 1.10042 1.11561 1.12304 1.12324 1.14085 1.14815 1.15651 1.18055 1.21028 1.23418 1.24473 1.24977 1.25991 1.26845 1.28713 1.29778 1.35763 1.36647 1.37181 1.38774 1.39763 1.40297 1.41680 1.44449 1.46386 1.46955 1.47693 1.47777 1.48329 1.49565 1.50362 1.53289 1.53510 1.53838 1.55629 1.56148 1.57008 1.57144 1.57367 1.57599 1.57920 1.58369 1.58903 1.59275 1.60117 1.60483 1.61170 1.61931 1.62335 1.62527 1.63140 1.63939 1.64591 1.65467 1.65868 1.68794 1.69722 1.70144 1.71137 1.72588 1.73038 1.75568 1.75895 1.76334 1.77065 1.78515 1.79213 1.79451 1.80368 1.81429 1.82969 1.83506 1.84428 1.85348 1.85983 1.89074 1.90276 1.93141 1.93416 1.94296 1.94787 1.97311 1.98617 1.99665 2.01802 2.02836 2.04484 2.06107 2.06871 2.07309 2.08289 2.09923 2.10668 2.11641 2.15031 2.15822 2.17506 2.18141 2.18286 2.20036 2.21416 2.24133 2.25193 2.28939 2.29899 2.30778 2.31972 2.35384 2.35427 2.37978 2.38192 2.41259 2.41430 2.46280 2.47595 2.47664 2.48364 2.49372 2.49874 2.50029 2.51772 2.52245 2.54632 2.55519 2.56149 2.56613 2.57226 2.57725 2.58232 2.58869 2.59906 2.60454 2.62145 2.62412 2.63722 2.63953 2.65160 2.65183 2.66348 2.66864 2.67491 2.68052 2.69183 2.69452 2.71099 2.71205 2.72331 2.74181 2.74995 2.79626 2.80630 2.81347 2.84034 2.84049 2.85198 2.87026 2.88544 2.90251 2.90709 2.91630 2.91792 2.94423 2.95353 2.96797 2.99777 3.01681 3.04064 3.09686 3.11272 3.15470 3.18023 3.25174 3.25951 3.27164 3.31722 3.43494 3.44433 3.57970 3.77553 3.77715 3.80458 3.80661 3.80722 3.81083 3.81484 3.81526 3.82013 3.82419 3.82907 3.82941 3.83153 3.97341 3.99786 4.00301 4.17552 4.18090 4.22529 4.31352 4.31673 5.08466 5.09471 5.15744 5.17890 5.25131 5.46817 7.23306 7.95899 7.98238 14.00876 14.03209 14.06389 17.38472 17.40462 17.45380 17.49448 17.51872 17.54846 23.78101 23.78761 23.83875 23.86842 23.87011 23.95860 23.96441 23.96970 23.98066 23.98336 49.91206 49.94844 163.36240 189.15437 189.17638 1-A. 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 37 38 S S P O O C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 0.166837 0.427208 -0.890035 -0.027890 -0.196424 0.192146 0.126850 -0.165047 -0.140670 -0.726437 -0.727124 -0.541963 -0.543520 -0.209846 -0.417957 0.234005 0.198923 0.155881 0.144209 0.152003 0.143724 0.192377 0.135889 0.158582 0.132888 0.199584 0.153608 0.138514 0.146629 0.141077 0.132320 0.140881 0.154691 0.164840 0.183321 0.143530 0.146090 0.180304 -0.00000 -4.86848523e-02 2.41937494e-01 9.70959235e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.1237 0.6149 0.2468 0.6741 -104.7977 -110.3959 -125.2654 -1.3681 -1.2434 -1.2749 8.6886 3.0905 -11.7791 -1.3681 -1.2434 -1.2749 -0.4052 38.5343 -1.6051 1.4161 -14.1711 9.8627 -1.6769 0.6048 2.2495 -2.5671 -4868.6025 -1771.9143 -753.4798 -15.6126 -1.3830 -4.5701 -5.5971 -2.0465 -7.4277 -1151.7823 -964.3509 -432.9702 2.0737 4.2109 -3.4881 (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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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)|(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) 0 1-A -1683.4624733 5.879E-9 5.761E-6 6.3094999,1.8933979,-8.2028978,1.1832791,1.8507451,-2.114636 C01 [X(C10H23O2P1S2)] -0.1539419 0.2092728 0.0532765 -0.000003058 0.000000446 -0.000004167 0.000006443 -0.000003583 -0.000006473 -0.000006501 0.000018499 0.000012620 -0.000001115 -0.000028306 0.000005247 0.000004246 -0.000001219 -0.000019127 0.000014459 -0.000006045 0.000007663 -0.000006980 -0.000006617 0.000013141 -0.000012704 -0.000000598 -0.000001789 0.000003539 0.000008132 0.000000327 -0.000006766 0.000009537 -0.000003029 0.000000018 0.000005378 -0.000011903 0.000002799 0.000000727 -0.000001172 0.000002012 -0.000003492 0.000002358 0.000000425 0.000018947 0.000004995 0.000004628 -0.000009053 -0.000009070 -0.000002261 0.000000504 -0.000000457 -0.000000484 -0.000000160 -0.000001050 0.000002219 -0.000000326 -0.000000592 0.000002901 0.000000348 -0.000000797 0.000001307 -0.000001703 0.000001885 -0.000001961 -0.000004227 0.000000407 0.000000418 -0.000001935 0.000001701 0.000000856 -0.000001550 0.000002289 0.000000978 -0.000000756 0.000001132 -0.000000872 0.000000423 0.000004140 0.000000087 -0.000001253 0.000003782 -0.000000038 -0.000000646 0.000002894 -0.000000905 0.000002074 -0.000000757 0.000001008 0.000001254 -0.000001049 -0.000000239 0.000002720 0.000000080 0.000000662 0.000000669 -0.000000954 -0.000001918 -0.000000583 0.000000534 -0.000001117 -0.000002032 -0.000001038 0.000001592 0.000001699 -0.000002184 -0.000001486 -0.000001806 -0.000000966 -0.000000108 0.000001572 -0.000000095 -0.000000977 0.000001050 -0.000000169 -0.000001108 0.000001909 0.000001643 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.7974,.6366,-.7951;-.7184,-1.5933,-.5533;-.132,.3436,.0141;-1.077,1.2689,-.9196;-.2238,.6395,1.473;2.8276,.2451,.7279;-2.3337,-1.6913,.409;4.1747,.9676,.5954;-3.2912,-2.6178,-.3516;2.9857,-1.2628,.9052;-2.0716,-2.1444,1.8428;4.0946,2.4952,.6518;-3.7909,-2.0618,-1.687;-1.1843,2.6975,-.6437;-2.3197,2.9749,.3241;2.2648,.6639,1.5644;-2.7445,-.6784,.4058;4.6759,.6442,-.3246;4.8005,.6081,1.421;-2.8133,-3.5939,-.4974;-4.1461,-2.7978,.3114;2.0191,-1.7591,1.005;3.5656,-1.4645,1.8122;3.5117,-1.7049,.0548;-3.0155,-2.1625,2.3989;-1.3865,-1.4622,2.3467;-1.6461,-3.1516,1.86;3.6072,2.8247,1.5743;3.5243,2.8984,-.1877;5.0944,2.9362,.6229;-4.3067,-1.1077,-1.5418;-4.4926,-2.7551,-2.1579;-2.9657,-1.8889,-2.3808;-1.3613,3.1521,-1.6192;-.2287,3.0666,-.2601;-2.4277,4.0543,.4677;-3.2608,2.5841,-.0704;-2.1168,2.5101,1.2902; Gaussian 16 GINC-DEPAZ11 ALCAMI Optimization Cadusafos CONF769 gas EM64L-G16RevC.01 108 C1[X(C10H23O2PS2)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.7974,.6366,-.7951;-.7184,-1.5933,-.5533;-.132,.3436,.0141;-1.077,1.2689,-.9196;-.2238,.6395,1.473;2.8276,.2451,.7279;-2.3337,-1.6913,.409;4.1747,.9676,.5954;-3.2912,-2.6178,-.3516;2.9857,-1.2628,.9052;-2.0716,-2.1444,1.8428;4.0946,2.4952,.6518;-3.7909,-2.0618,-1.687;-1.1843,2.6975,-.6437;-2.3197,2.9749,.3241;2.2648,.6639,1.5644;-2.7445,-.6784,.4058;4.6759,.6442,-.3246;4.8005,.6081,1.421;-2.8133,-3.5939,-.4974;-4.1461,-2.7978,.3114;2.0191,-1.7591,1.005;3.5656,-1.4645,1.8122;3.5117,-1.7049,.0548;-3.0155,-2.1625,2.3989;-1.3865,-1.4622,2.3467;-1.6461,-3.1516,1.86;3.6072,2.8247,1.5743;3.5243,2.8984,-.1877;5.0944,2.9362,.6229;-4.3067,-1.1077,-1.5418;-4.4926,-2.7551,-2.1579;-2.9657,-1.8889,-2.3808;-1.3613,3.1521,-1.6192;-.2287,3.0666,-.2601;-2.4277,4.0543,.4677;-3.2608,2.5841,-.0704;-2.1168,2.5101,1.2902; Optimization Cadusafos CONF769 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 32 32 31 16 16 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 31.9720718 30.9737634 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 13.6000000 12.9400000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.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 2 2 3 3 4 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 3 6 3 7 4 5 14 8 10 16 9 11 17 12 18 19 13 20 21 22 23 24 25 26 27 28 29 30 31 32 33 15 34 35 36 37 38 2.1126 1.8799 2.1018 1.8828 1.619 1.4914 1.4589 1.5344 1.5265 1.0917 1.5342 1.5263 1.0931 1.5307 1.0965 1.0966 1.5304 1.0966 1.0967 1.0911 1.0953 1.0933 1.0957 1.0903 1.0935 1.0942 1.0921 1.0931 1.0943 1.093 1.0919 1.5175 1.0907 1.0939 1.0942 1.0927 1.0912 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A62 A63 A64 A65 A66 A67 A68 A69 3 3 1 1 1 2 2 4 3 1 1 1 8 8 10 2 2 2 9 9 11 6 6 6 12 12 18 7 7 7 13 13 20 6 6 6 22 22 23 7 7 7 25 25 26 8 8 8 28 28 29 9 9 9 31 31 32 4 4 4 15 15 34 14 14 14 36 36 37 1 2 3 3 3 3 3 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 6 7 2 4 5 4 5 5 14 8 10 16 10 16 16 9 11 17 11 17 17 12 18 19 18 19 19 13 20 21 20 21 21 22 23 24 23 24 24 25 26 27 26 27 27 28 29 30 29 30 30 31 32 33 32 33 33 15 34 35 34 35 35 36 37 38 37 38 38 99.2817 98.5872 106.2116 103.4685 113.7902 102.0146 115.4524 114.5073 119.5716 108.2436 110.8895 104.9756 112.5967 109.7592 110.0837 108.2678 110.3839 105.8269 113.1777 108.875 110.026 114.8861 109.5655 106.3548 110.4389 109.2269 105.9126 114.6464 109.3591 106.6153 110.4666 109.4227 105.9031 111.6009 109.4493 111.0393 108.0271 108.2657 108.3543 109.4946 110.8716 110.7954 108.4895 108.1833 108.9347 110.791 111.5602 110.7182 107.7147 107.9493 107.9624 110.7844 110.798 111.4183 107.9198 107.6079 108.1706 110.7722 104.5303 109.4185 111.8869 111.6122 108.3494 109.7434 110.4146 110.344 108.3724 108.8025 109.1193 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 6 6 6 3 3 3 7 7 7 3 3 3 1 2 5 3 3 3 1 1 1 10 10 10 16 16 16 1 1 1 8 8 8 16 16 16 2 2 2 11 11 11 17 17 17 2 2 2 9 9 9 17 17 17 6 6 6 18 18 18 19 19 19 7 7 7 20 20 20 21 21 21 4 4 4 34 34 34 35 35 35 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 14 14 14 14 14 14 14 14 14 3 3 3 6 6 6 3 3 3 7 7 7 4 4 4 14 14 14 8 8 8 8 8 8 8 8 8 10 10 10 10 10 10 10 10 10 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 15 15 15 15 15 15 15 15 15 2 4 5 8 10 16 1 4 5 9 11 17 14 14 14 15 34 35 12 18 19 12 18 19 12 18 19 22 23 24 22 23 24 22 23 24 13 20 21 13 20 21 13 20 21 25 26 27 25 26 27 25 26 27 28 29 30 28 29 30 28 29 30 31 32 33 31 32 33 31 32 33 36 37 38 36 37 38 36 37 38 -98.1693 154.8204 29.9494 -155.031 80.993 -37.86 174.3264 -77.6225 47.1961 150.5574 -85.0531 33.9629 -82.4519 167.398 41.9536 -89.885 149.4396 33.5782 66.8733 -58.1151 -172.1654 -170.1809 64.8307 -49.2196 -47.1755 -172.1639 73.7858 -58.9622 -178.487 61.9335 179.5857 60.0608 -59.5186 56.7619 -62.7629 177.6576 -68.559 56.1195 170.1945 168.7352 -66.5863 47.4888 46.0476 170.7261 -75.1989 178.0261 58.3547 -62.7286 -60.4506 179.878 58.7947 61.5958 -58.0756 -179.159 56.2285 -63.7702 175.9669 -179.2412 60.7601 -59.5029 -63.147 176.8543 56.5914 -58.329 -178.0783 61.4361 177.5788 57.8294 -62.6562 61.3651 -58.3843 -178.8699 -176.279 -56.8792 63.8337 -60.0757 59.3241 -179.963 61.5303 -179.0699 -58.357 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00182 0.00184 0.00221 0.00291 0.00291 0.00345 0.00387 0.00402 0.00439 0.00468 0.00588 0.00668 0.01148 0.03499 0.03515 0.03663 0.03679 0.03908 0.03914 0.04433 0.04448 0.04458 0.04517 0.04545 0.04546 0.04576 0.04578 0.04596 0.04620 0.04629 0.04700 0.04718 0.06170 0.06748 0.06820 0.07393 0.07439 0.09496 0.10208 0.10621 0.10887 0.11052 0.11410 0.12211 0.12216 0.12331 0.12352 0.12422 0.12463 0.13095 0.13236 0.13555 0.13787 0.13882 0.14034 0.14502 0.14797 0.14979 0.15060 0.15152 0.15324 0.15968 0.16110 0.16165 0.16695 0.17810 0.18087 0.18474 0.19002 0.19605 0.21874 0.22016 0.24199 0.27675 0.27891 0.27897 0.28996 0.29630 0.30316 0.30759 0.31407 0.31480 0.32125 0.32155 0.32715 0.32866 0.32997 0.33023 0.33042 0.33105 0.33137 0.33277 0.33392 0.33418 0.33530 0.33616 0.33646 0.33746 0.33781 0.34045 0.34201 0.34273 0.34290 0.34493 0.34629 0.34850 0.36889 0.58068 Angle between quadratic step and forces= 76.12 degrees. 1 2 0.00068532 0.00000016 0.00000009 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 A62 A63 A64 A65 A66 A67 A68 A69 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 3.99229 3.55245 3.97181 3.55791 3.05944 2.81831 2.75694 2.89964 2.88458 2.06304 2.89926 2.88436 2.06564 2.89258 2.07200 2.07223 2.89203 2.07219 2.07252 2.06194 2.06980 2.06599 2.07051 2.06038 2.06647 2.06769 2.06373 2.06560 2.06793 2.06551 2.06336 2.86766 2.06105 2.06718 2.06777 2.06484 2.06199 1.73279 1.72067 1.85374 1.80587 1.98601 1.78049 2.01502 1.99853 2.08692 1.88921 1.93539 1.83217 1.96518 1.91566 1.92132 1.88963 1.92656 1.84703 1.97532 1.90023 1.92032 2.00514 1.91228 1.85624 1.92752 1.90637 1.84852 2.00096 1.90868 1.86079 1.92801 1.90979 1.84836 1.94780 1.91025 1.93800 1.88543 1.88959 1.89114 1.91104 1.93507 1.93375 1.89350 1.88816 1.90127 1.93367 1.94709 1.93240 1.87998 1.88407 1.88430 1.93355 1.93379 1.94462 1.88356 1.87811 1.88793 1.93334 1.82440 1.90971 1.95279 1.94800 1.89105 1.91538 1.92710 1.92587 1.89146 1.89896 1.90449 -1.71338 2.70212 0.52272 -2.70580 1.41359 -0.66078 3.04257 -1.35477 0.82373 2.62772 -1.48446 0.59276 -1.43906 2.92165 0.73223 -1.56879 2.60821 0.58605 1.16716 -1.01430 -3.00485 -2.97022 1.13151 -0.85904 -0.82337 -3.00483 1.28781 -1.02908 -3.11519 1.08094 3.13436 1.04826 -1.03880 0.99068 -1.09542 3.10071 -1.19658 0.97947 2.97046 2.94498 -1.16215 0.82884 0.80368 2.97973 -1.31247 3.10714 1.01848 -1.09482 -1.05506 3.13946 1.02616 1.07505 -1.01361 -3.12691 0.98137 -1.11300 3.07120 -3.12835 1.06046 -1.03852 -1.10212 3.08669 0.98771 -1.01803 -3.10805 1.07226 3.09933 1.00931 -1.09356 1.07102 -1.01900 -3.12187 -3.07665 -0.99273 1.11411 -1.04852 1.03540 -3.14095 1.07391 -3.12536 -1.01852 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00002 0.00002 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00001 -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 0.00001 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00007 0.00003 0.00007 -0.00004 -0.00003 0.00009 -0.00003 -0.00003 0.00000 -0.00001 -0.00003 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00004 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00002 -0.00005 0.00007 -0.00005 -0.00004 0.00008 -0.00002 -0.00012 -0.00002 -0.00002 -0.00003 0.00004 0.00003 -0.00000 -0.00002 0.00003 -0.00004 -0.00000 -0.00001 0.00004 0.00003 0.00002 0.00001 -0.00001 -0.00001 -0.00003 0.00004 -0.00001 0.00001 -0.00001 -0.00001 -0.00003 0.00002 0.00001 0.00001 -0.00003 -0.00000 -0.00002 0.00001 0.00005 0.00001 -0.00002 -0.00002 -0.00003 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00003 -0.00001 -0.00002 -0.00001 -0.00008 0.00004 -0.00001 0.00004 0.00000 0.00001 0.00001 0.00003 0.00000 -0.00001 -0.00004 0.00001 -0.00024 -0.00020 -0.00020 -0.00011 -0.00014 -0.00011 0.00057 0.00062 0.00061 0.00011 0.00012 0.00015 0.00021 0.00026 0.00020 -0.00059 -0.00063 -0.00065 -0.00001 -0.00003 -0.00000 -0.00002 -0.00004 -0.00001 0.00002 0.00000 0.00003 -0.00001 0.00001 0.00001 0.00000 0.00002 0.00002 -0.00006 -0.00004 -0.00004 0.00016 0.00017 0.00013 0.00014 0.00015 0.00011 0.00010 0.00011 0.00007 -0.00013 -0.00014 -0.00014 -0.00013 -0.00014 -0.00015 -0.00012 -0.00013 -0.00013 -0.00025 -0.00025 -0.00026 -0.00022 -0.00022 -0.00022 -0.00027 -0.00027 -0.00027 0.00053 0.00054 0.00053 0.00052 0.00053 0.00052 0.00056 0.00057 0.00057 -0.00009 -0.00008 -0.00005 -0.00007 -0.00006 -0.00002 -0.00003 -0.00002 0.00002 0.00001 0.00007 0.00003 0.00007 -0.00004 -0.00003 0.00009 -0.00003 -0.00003 0.00000 -0.00001 -0.00003 0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00004 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00002 -0.00005 0.00007 -0.00005 -0.00004 0.00008 -0.00002 -0.00012 -0.00002 -0.00002 -0.00003 0.00004 0.00003 -0.00000 -0.00002 0.00003 -0.00004 -0.00000 -0.00001 0.00004 0.00003 0.00002 0.00001 -0.00001 -0.00001 -0.00003 0.00004 -0.00001 0.00001 -0.00001 -0.00001 -0.00003 0.00002 0.00001 0.00001 -0.00003 -0.00000 -0.00002 0.00001 0.00005 0.00001 -0.00002 -0.00002 -0.00003 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 0.00003 -0.00001 -0.00002 -0.00001 -0.00008 0.00004 -0.00001 0.00004 0.00000 0.00001 0.00001 0.00003 0.00000 -0.00001 -0.00004 0.00001 -0.00024 -0.00020 -0.00020 -0.00011 -0.00014 -0.00011 0.00057 0.00062 0.00061 0.00011 0.00012 0.00015 0.00021 0.00026 0.00020 -0.00059 -0.00063 -0.00065 -0.00001 -0.00003 -0.00000 -0.00002 -0.00004 -0.00001 0.00002 0.00000 0.00003 -0.00001 0.00001 0.00001 0.00000 0.00002 0.00002 -0.00006 -0.00004 -0.00004 0.00016 0.00017 0.00013 0.00014 0.00015 0.00011 0.00010 0.00011 0.00007 -0.00013 -0.00014 -0.00014 -0.00013 -0.00014 -0.00015 -0.00012 -0.00013 -0.00013 -0.00025 -0.00025 -0.00026 -0.00022 -0.00022 -0.00022 -0.00027 -0.00027 -0.00027 0.00053 0.00054 0.00053 0.00052 0.00053 0.00052 0.00056 0.00057 0.00057 -0.00009 -0.00008 -0.00005 -0.00007 -0.00006 -0.00002 -0.00003 -0.00002 0.00002 3.99231 3.55251 3.97184 3.55798 3.05941 2.81828 2.75703 2.89961 2.88455 2.06304 2.89924 2.88433 2.06564 2.89260 2.07200 2.07224 2.89203 2.07220 2.07253 2.06195 2.06981 2.06599 2.07052 2.06038 2.06647 2.06770 2.06373 2.06560 2.06794 2.06552 2.06335 2.86762 2.06105 2.06717 2.06777 2.06484 2.06200 1.73279 1.72069 1.85369 1.80594 1.98597 1.78045 2.01511 1.99851 2.08679 1.88919 1.93537 1.83214 1.96522 1.91569 1.92132 1.88961 1.92659 1.84699 1.97532 1.90022 1.92035 2.00517 1.91229 1.85625 1.92751 1.90636 1.84849 2.00100 1.90866 1.86080 1.92800 1.90978 1.84833 1.94782 1.91026 1.93801 1.88540 1.88959 1.89112 1.91106 1.93512 1.93376 1.89348 1.88813 1.90124 1.93367 1.94710 1.93241 1.87997 1.88406 1.88429 1.93357 1.93378 1.94464 1.88355 1.87809 1.88793 1.93326 1.82443 1.90970 1.95284 1.94800 1.89106 1.91539 1.92713 1.92587 1.89145 1.89892 1.90450 -1.71362 2.70192 0.52251 -2.70592 1.41346 -0.66089 3.04314 -1.35415 0.82434 2.62783 -1.48434 0.59292 -1.43884 2.92190 0.73242 -1.56938 2.60759 0.58540 1.16715 -1.01433 -3.00485 -2.97024 1.13147 -0.85906 -0.82335 -3.00483 1.28783 -1.02909 -3.11518 1.08096 3.13436 1.04827 -1.03877 0.99062 -1.09546 3.10067 -1.19642 0.97964 2.97059 2.94512 -1.16200 0.82895 0.80378 2.97984 -1.31239 3.10701 1.01834 -1.09496 -1.05519 3.13932 1.02602 1.07493 -1.01374 -3.12705 0.98112 -1.11325 3.07094 -3.12857 1.06024 -1.03874 -1.10239 3.08642 0.98743 -1.01751 -3.10752 1.07279 3.09985 1.00984 -1.09304 1.07159 -1.01843 -3.12130 -3.07674 -0.99281 1.11406 -1.04859 1.03534 -3.14097 1.07388 -3.12537 -1.01850 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000003 0.002367 0.000685 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.244339e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 507 A 492 A 492 766 507 73 73 1550.8588425501 38 38 38 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= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0411412373 0.000000 3.370470 0.000000 2.112630 2.101791 0.000000 2.945775 2.907801 1.618988 0.000000 3.037990 3.055487 1.491386 2.616963 0.000000 1.879874 4.194646 3.046020 4.359844 3.165721 0.000000 4.892283 1.882765 3.023914 3.479584 3.319029 5.521719 0.000000 2.773881 5.640954 4.390324 5.474145 4.497225 1.534421 7.033018 0.000000 6.056511 2.776606 4.345583 4.509099 4.831949 6.841091 1.534221 8.336164 0.000000 2.812537 3.994599 3.618645 5.122993 3.773913 1.526455 5.359610 2.546463 6.543320 0.000000 5.446249 2.806495 3.646441 4.502374 3.361757 5.563696 1.526340 7.089258 2.554778 5.218532 0.000000 3.290126 6.429082 4.785405 5.542416 4.771458 2.583450 7.675158 1.530690 9.038766 3.926352 7.808128 0.000000 6.269458 3.308338 4.697601 4.364415 5.477822 7.413349 2.579580 8.822572 1.530397 7.299343 3.927132 9.403057 0.000000 3.627807 4.316982 2.660988 1.458911 3.104506 4.898042 4.657324 5.765992 5.725073 5.955826 5.514902 5.439309 5.525742 0.000000 4.865316 4.919627 3.435984 2.449809 3.341651 5.840363 4.666970 6.802983 5.716485 6.814944 5.345588 6.440610 5.619350 1.517501 0.000000 2.405498 4.298787 2.872437 4.207662 2.490482 1.091714 5.294149 2.163079 6.731280 2.160185 5.173881 2.744921 7.394146 4.572519 5.281814 0.000000 4.878554 2.421206 2.832521 2.886063 3.038040 5.657285 1.093091 7.114857 2.152613 5.781585 2.160383 7.543598 2.718163 3.864209 3.678774 5.313952 0.000000 2.916676 5.844410 4.829174 5.817208 5.219079 2.164136 7.424728 1.096453 8.609054 2.829452 7.615987 2.171956 8.992516 6.217689 7.402156 3.063028 7.572679 0.000000 3.732295 6.261155 5.136006 6.360798 5.024691 2.122385 7.563541 1.096576 8.889522 2.657007 7.414860 2.156617 9.518402 6.666789 7.583040 2.540310 7.720946 1.750424 0.000000 6.264519 2.897267 4.791146 5.180764 5.339441 6.932435 2.161398 8.416305 1.096558 6.405468 2.850924 9.279925 2.172127 6.500517 6.638331 6.940295 3.052993 8.606955 8.905444 0.000000 6.953024 3.734676 5.105870 5.241480 5.343103 7.620037 2.125779 9.137580 1.096733 7.319295 2.660052 9.800059 2.158985 6.315258 6.054701 7.392835 2.542688 9.491045 9.637078 1.750523 0.000000 3.004725 3.154318 3.167076 4.739076 3.317098 2.178752 4.393899 3.499900 5.547710 1.091134 4.193397 4.746701 6.410525 5.730710 6.457533 2.498832 4.921320 3.821277 3.675948 5.382949 6.290497 0.000000 3.786670 4.895378 4.491618 6.040554 4.347638 2.154791 6.068059 2.786968 7.281995 1.095289 5.678143 4.160036 8.168182 6.776093 7.520650 2.506710 6.512591 3.200891 2.444155 7.110474 7.968736 1.769159 0.000000 3.023850 4.275054 4.180282 5.554241 4.632701 2.173376 5.856108 2.806117 6.875907 1.093274 5.879093 4.282174 7.515963 6.474703 7.481917 3.073255 6.349619 2.649098 2.979489 6.624139 7.739693 1.770196 1.774554 0.000000 6.418740 3.783675 4.503585 5.152181 4.062277 6.536837 2.155549 8.046725 2.801484 6.249443 1.095667 8.677575 4.159997 6.019129 5.584022 6.047073 2.499701 8.628619 8.350005 3.237009 2.457550 5.239594 6.643982 6.950460 0.000000 4.940929 2.978896 3.205580 4.268957 2.555866 4.826335 2.168937 6.316495 3.499185 4.608024 1.090306 6.969653 4.734109 5.127045 4.964856 4.297024 2.495218 6.951655 6.589512 3.830029 3.679979 3.672392 4.980830 5.413319 1.773964 0.000000 5.766927 3.018807 4.232778 5.252774 4.067589 5.729984 2.170411 7.242180 2.807614 5.092444 1.093529 8.142589 4.285955 6.379176 6.351915 5.471821 3.072204 7.690807 7.475727 2.667510 2.962075 4.012977 5.478143 5.652845 1.773153 1.777172 0.000000 3.698315 6.538896 4.751011 5.530114 4.411641 2.824716 7.552919 2.174681 8.995474 4.188318 7.550765 1.094176 9.447067 5.281529 6.059262 2.543891 7.347265 3.082663 2.522080 9.312062 9.660358 4.884434 4.296087 4.778690 8.331470 6.626589 7.962148 0.000000 2.909790 6.189464 4.464975 4.935824 4.680670 2.892060 7.465699 2.182710 8.769591 4.335906 7.801735 1.092078 8.964564 4.734853 5.866873 3.106317 7.241781 2.535048 3.076061 9.078048 9.567162 5.037880 4.799665 4.609742 8.664408 7.039439 8.217576 1.765513 0.000000 4.262464 7.462422 5.865727 6.576053 5.854949 3.520138 8.754110 2.172933 10.105120 4.707154 8.868586 1.093069 10.452909 6.409584 7.420226 3.749116 8.634829 2.515149 2.478544 10.316400 10.879423 5.625692 4.808103 4.936308 9.742725 8.019882 9.166523 1.768949 1.767400 0.000000 6.392169 3.753494 4.685609 4.057858 5.367572 7.607813 2.835327 8.989333 2.174435 7.693540 4.186375 9.400733 1.094302 5.003497 4.908823 7.481429 2.533263 9.232393 9.729445 3.082566 2.513220 6.850253 8.564406 8.002071 4.278812 4.875827 4.777943 9.370367 8.899761 10.460295 0.000000 7.274914 4.262468 5.773563 5.421472 6.551977 8.420985 3.518742 9.826522 2.173642 8.217887 4.715858 10.449837 1.093022 6.555013 6.611669 8.438455 3.733710 9.948695 10.510939 2.506096 2.493761 7.307361 9.075275 8.370616 4.826649 5.622341 4.939953 10.520007 10.005660 11.490523 1.768683 0.000000 5.619595 2.911594 4.330085 3.959090 5.363043 6.912298 2.867334 8.246380 2.180536 6.827062 4.324743 8.846742 1.091881 5.217873 5.602716 7.031371 3.046173 8.308936 9.000114 2.545034 3.076846 6.027320 7.772955 6.922635 4.787721 5.002537 4.617386 9.003609 8.357503 9.862459 1.764252 1.769533 0.000000 4.121234 4.905926 3.473665 2.028888 4.143436 5.613047 5.340146 6.350086 6.214683 6.690293 6.367309 5.946086 5.752560 1.090660 2.174003 5.429127 4.548169 6.664320 7.326809 6.991044 6.847090 6.514055 7.573764 7.080899 6.864798 6.084449 7.205714 5.915409 5.097289 6.837346 5.179419 6.707427 5.344697 0.000000 3.208789 4.694749 2.738471 2.094329 2.982304 4.275253 5.245584 4.952494 6.457522 5.516675 5.913821 4.455196 6.405167 1.093904 2.173077 3.914004 4.560446 5.470550 5.844875 7.148353 7.075582 5.471753 6.262749 6.071004 6.494600 5.352195 6.720865 4.258832 3.757396 5.397344 5.974722 7.461543 6.045331 1.771257 0.000000 5.579112 5.988257 4.386885 3.392196 4.186619 6.495776 5.746614 7.289365 6.777389 7.600462 6.359341 6.708550 6.626263 2.149873 1.094214 5.892111 4.743623 7.919391 8.064170 7.718449 7.065963 7.338757 8.257356 8.283407 6.536267 5.919978 7.380642 6.257496 6.098436 7.606251 5.849276 7.584518 6.612480 2.511193 2.518073 0.000000 5.468453 4.914100 3.849247 2.687026 3.922591 6.570926 4.400999 7.638287 5.209606 7.400662 5.237726 7.391334 4.947650 2.157191 1.092668 6.073956 3.337247 8.174317 8.432885 6.208930 5.467582 6.920817 8.156953 8.017420 5.356096 5.072329 6.263600 7.066336 6.793370 8.391282 4.109523 5.863651 5.043162 2.515828 3.076147 1.773394 0.000000 4.814531 4.710885 3.203386 2.739566 2.667543 5.467486 4.298297 6.514990 5.510913 6.357570 4.687434 6.244150 5.706930 2.155168 1.091158 4.762611 3.367906 7.227037 7.175202 6.398424 5.766289 5.950894 6.954126 7.139533 4.885687 4.174789 5.709756 5.739702 5.844365 7.254491 5.089611 6.727281 5.792124 3.073684 2.505625 1.776956 1.779206 0.000000 C10H23O2PS2 C1 1 C1 1 C1 1 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8146,-.0307,-1.0662;-1.3496,-1.112,-.6431;.0319,.3319,.008;-.5483,1.6831,-.6694;.2254,.4139,1.4845;2.7526,-1.0201,.2281;-2.7515,-.7181,.5504;4.2545,-.8688,-.0471;-4.0788,-1.0703,-.1338;2.3009,-2.4782,.2313;-2.5448,-1.4505,1.8735;4.8101,.5411,.1686;-4.4486,-.1669,-1.3124;-.0342,2.9802,-.2432;-.8475,3.5271,.9155;2.5024,-.548,1.1801;-2.7119,.3624,.7105;4.4788,-1.2175,-1.0621;4.7641,-1.5652,.6296;-4.0585,-2.1208,-.4475;-4.8565,-1.0016,.6364;1.2327,-2.5673,.4355;2.8418,-3.0258,1.0106;2.5068,-2.955,-.7307;-3.3487,-1.1838,2.5685;-1.5915,-1.1749,2.3253;-2.5672,-2.5337,1.7253;4.6011,.8897,1.1845;4.3671,1.2577,-.5263;5.8934,.5563,.0235;-4.5122,.8786,-.9954;-5.4178,-.4512,-1.7302;-3.704,-.2257,-2.1089;-.1141,3.6108,-1.1294;1.0239,2.8844,.0171;-.4903,4.5275,1.178;-1.9024,3.5993,.6401;-.7492,2.8785,1.7874; 0.6234620 0.2632574 0.2184144 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. One-electron integral symmetry used in STVInt NBasis= 492 RedAO= T EigKep= 1.18D-05 NBF= 492 NBsUse= 492 1.00D-06 EigRej= -1.00D+00 NBFU= 492 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 499 499 499 499 499 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1683.46247326384 -1683.46247326 1 1.679285614474e+03 -7.077867899178e+03 2.164302110128e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415053491 LenY= 1414795935 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 38. Will process 39 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111 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. 11752 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 800000000 NMat= 114 IRICut= 285 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 114 NMatS0= 114 NMatT0= 0 NMatD0= 114 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 77.66% of shell-pairs survive, threshold= 0.20 IRatSp=78. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 114 vectors produced by pass 0 Test12= 3.06D-14 1.00D-09 XBig12= 1.84D+02 4.93D+00. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 3.06D-14 1.00D-09 XBig12= 4.06D+01 8.03D-01. 114 vectors produced by pass 2 Test12= 3.06D-14 1.00D-09 XBig12= 3.00D-01 6.56D-02. 114 vectors produced by pass 3 Test12= 3.06D-14 1.00D-09 XBig12= 1.16D-03 3.63D-03. 114 vectors produced by pass 4 Test12= 3.06D-14 1.00D-09 XBig12= 2.62D-06 1.49D-04. 86 vectors produced by pass 5 Test12= 3.06D-14 1.00D-09 XBig12= 3.14D-09 4.18D-06. 15 vectors produced by pass 6 Test12= 3.06D-14 1.00D-09 XBig12= 2.84D-12 1.01D-07. 3 vectors produced by pass 7 Test12= 3.06D-14 1.00D-09 XBig12= 2.56D-15 4.28D-09. InvSVY: IOpt=1 It= 1 EMax= 2.66D-14 Solved reduced A of dimension 674 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 196.85 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 241.163 0.892 187.464 -3.410 -1.971 161.908 306.576 1.840 266.504 -8.208 2.031 270.578 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT40720.500S Wed Sep 4 20:37:32 2024 -88.85267 -88.85208 -77.17191 -19.15593 -19.09009 -10.23782 -10.21700 -10.21460 -10.18030 -10.18001 -10.16758 -10.16571 -10.16272 -10.16203 -10.16110 -7.93972 -7.93916 -6.65584 -5.90310 -5.90268 -5.89980 -5.89932 -5.89394 -5.89310 -4.81791 -4.81711 -4.81621 -1.06372 -0.97758 -0.83186 -0.82879 -0.77798 -0.75188 -0.74578 -0.72453 -0.70697 -0.65038 -0.63988 -0.63721 -0.58844 -0.57192 -0.55252 -0.50325 -0.48985 -0.48043 -0.45665 -0.44706 -0.44332 -0.44192 -0.43892 -0.43535 -0.42106 -0.41973 -0.40817 -0.39952 -0.39216 -0.38473 -0.38152 -0.37263 -0.35972 -0.35775 -0.35648 -0.35313 -0.34907 -0.34466 -0.34015 -0.32815 -0.32306 -0.31422 -0.29785 -0.28696 -0.25603 -0.25232 -0.02390 -0.00163 0.00130 0.00639 0.01068 0.01345 0.02060 0.02134 0.02189 0.03291 0.03477 0.04031 0.04314 0.04769 0.05164 0.05269 0.05719 0.06745 0.06826 0.07008 0.07296 0.07649 0.07746 0.07865 0.08227 0.08666 0.08989 0.09185 0.09397 0.10140 0.10519 0.10721 0.11054 0.11232 0.11517 0.11939 0.12253 0.12806 0.13286 0.13937 0.14269 0.14594 0.15044 0.15442 0.15635 0.15966 0.16350 0.16747 0.17019 0.17510 0.17723 0.18031 0.18350 0.18673 0.18788 0.19226 0.19479 0.19760 0.20536 0.20733 0.20846 0.21085 0.21216 0.21704 0.22135 0.22432 0.22731 0.22940 0.23637 0.23764 0.24201 0.24658 0.24728 0.25505 0.25985 0.26312 0.26776 0.27047 0.27859 0.28102 0.28396 0.28849 0.29386 0.30271 0.30408 0.31238 0.31836 0.32177 0.32649 0.33449 0.33597 0.34864 0.34875 0.35347 0.36166 0.36489 0.37259 0.38012 0.38804 0.39623 0.40305 0.40750 0.41743 0.41985 0.42522 0.43196 0.43239 0.43446 0.44734 0.45503 0.45849 0.46800 0.48186 0.48915 0.49116 0.50366 0.50943 0.52223 0.52776 0.53002 0.54197 0.54692 0.55365 0.56108 0.56583 0.57135 0.57530 0.57755 0.58986 0.60425 0.61037 0.61827 0.62150 0.63069 0.63940 0.64495 0.64913 0.65949 0.66752 0.67260 0.67740 0.67969 0.68691 0.69239 0.69613 0.69919 0.69954 0.70285 0.70786 0.71726 0.72793 0.73211 0.73821 0.74033 0.75011 0.75577 0.76228 0.76882 0.77324 0.78259 0.78679 0.79330 0.80824 0.81976 0.82678 0.83982 0.85544 0.86415 0.86987 0.88309 0.89492 0.90638 0.91557 0.92895 0.94277 0.95499 0.96795 0.98986 0.99223 1.00203 1.01716 1.02712 1.03731 1.04830 1.06902 1.07629 1.08568 1.10042 1.11561 1.12304 1.12324 1.14085 1.14815 1.15651 1.18055 1.21028 1.23418 1.24473 1.24977 1.25991 1.26845 1.28713 1.29778 1.35763 1.36647 1.37181 1.38774 1.39763 1.40297 1.41680 1.44449 1.46386 1.46955 1.47693 1.47777 1.48329 1.49565 1.50362 1.53289 1.53510 1.53838 1.55629 1.56148 1.57008 1.57144 1.57367 1.57599 1.57920 1.58369 1.58903 1.59275 1.60117 1.60483 1.61170 1.61931 1.62335 1.62527 1.63140 1.63939 1.64591 1.65467 1.65868 1.68794 1.69722 1.70144 1.71137 1.72588 1.73038 1.75568 1.75895 1.76334 1.77065 1.78515 1.79213 1.79451 1.80368 1.81429 1.82969 1.83506 1.84428 1.85348 1.85983 1.89074 1.90276 1.93141 1.93416 1.94296 1.94787 1.97311 1.98617 1.99665 2.01802 2.02836 2.04484 2.06107 2.06871 2.07309 2.08289 2.09923 2.10668 2.11641 2.15031 2.15822 2.17506 2.18141 2.18286 2.20036 2.21416 2.24133 2.25193 2.28939 2.29899 2.30778 2.31972 2.35384 2.35427 2.37978 2.38192 2.41259 2.41430 2.46280 2.47595 2.47664 2.48364 2.49372 2.49874 2.50029 2.51772 2.52245 2.54632 2.55519 2.56149 2.56613 2.57226 2.57725 2.58232 2.58869 2.59906 2.60454 2.62145 2.62412 2.63722 2.63953 2.65160 2.65183 2.66348 2.66864 2.67491 2.68052 2.69183 2.69452 2.71099 2.71205 2.72331 2.74181 2.74995 2.79626 2.80630 2.81347 2.84034 2.84049 2.85198 2.87026 2.88544 2.90251 2.90709 2.91630 2.91792 2.94423 2.95353 2.96797 2.99777 3.01681 3.04064 3.09686 3.11272 3.15470 3.18023 3.25174 3.25951 3.27164 3.31722 3.43494 3.44433 3.57970 3.77553 3.77715 3.80458 3.80661 3.80722 3.81083 3.81484 3.81526 3.82013 3.82419 3.82907 3.82941 3.83153 3.97341 3.99786 4.00301 4.17552 4.18090 4.22529 4.31352 4.31673 5.08466 5.09471 5.15744 5.17890 5.25131 5.46816 7.23306 7.95899 7.98238 14.00876 14.03209 14.06389 17.38472 17.40462 17.45380 17.49448 17.51872 17.54846 23.78101 23.78761 23.83875 23.86842 23.87011 23.95860 23.96441 23.96970 23.98066 23.98336 49.91206 49.94844 163.36240 189.15437 189.17638 1-A. 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 37 38 S S P O O C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 0.166837 0.427208 -0.890035 -0.027890 -0.196424 0.192146 0.126850 -0.165047 -0.140670 -0.726437 -0.727124 -0.541963 -0.543520 -0.209846 -0.417957 0.234005 0.198923 0.155881 0.144209 0.152003 0.143724 0.192377 0.135889 0.158582 0.132888 0.199584 0.153608 0.138514 0.146629 0.141077 0.132320 0.140881 0.154691 0.164840 0.183321 0.143530 0.146090 0.180304 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 S S P O O C C C C C C C C C C 0.166837 0.427208 -0.890035 -0.027890 -0.196424 0.426151 0.325773 0.135043 0.155058 -0.239589 -0.241044 -0.115742 -0.115628 0.138316 0.051968 0.00000 -4.86843098e-02 2.41937190e-01 9.70956889e-02 2.41163061e+02 8.91931232e-01 1.87464273e+02 -3.41048719e+00 -1.97111725e+00 1.61907784e+02 -2.0685 -0.0022 -0.0010 0.0013 2.1693 5.4795 15.4151 26.4733 27.4701 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 99 100 101 102 103 104 105 106 107 108 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|A|A|A|A|A|A 15.3638 26.4567 27.4575 32.3050 57.0843 70.0304 96.6192 106.1459 112.6275 128.8837 149.5406 160.3567 202.8641 210.2253 235.1383 240.1248 245.5470 251.0581 262.0272 271.8686 285.5940 330.4909 338.9705 355.4523 355.9767 400.9675 419.3597 458.0303 463.9077 465.3036 531.6730 571.0554 599.0643 602.7139 739.1132 809.0339 810.2350 824.1113 852.5579 853.2249 919.8818 978.3903 979.7970 1019.1406 1020.6811 1027.1980 1032.2294 1033.5028 1099.6615 1103.3894 1113.9633 1119.6411 1120.2718 1176.4987 1178.2446 1185.1802 1204.8877 1262.2603 1269.3492 1312.6146 1314.5885 1324.9218 1331.8496 1336.4868 1385.5081 1391.4181 1392.1112 1419.1397 1419.6845 1419.8380 1421.2619 1423.7452 1483.6804 1484.9601 1485.7366 1494.2501 1495.6226 1498.1223 1498.2974 1502.2172 1504.1283 1506.7462 1507.4679 1509.7422 1516.6619 3007.4196 3009.0767 3017.4522 3019.9795 3025.2701 3025.6388 3029.5706 3035.3615 3037.7702 3042.7769 3056.7215 3072.8496 3081.7413 3086.6773 3087.3434 3090.1105 3093.1667 3097.5310 3100.3529 3103.3435 3111.8858 3123.1636 3123.9272 3.6602 3.0915 3.6000 3.4152 4.0188 2.5556 3.1934 1.8052 2.3589 3.5905 3.4831 3.6035 3.2338 2.1366 1.3137 1.5948 1.6287 1.6608 1.6290 1.3843 2.2126 4.1983 3.1705 2.9239 3.1275 4.0247 4.3703 4.0427 3.0533 3.2046 10.8271 10.5003 3.4198 3.9611 4.9206 1.2116 1.2090 1.1451 2.0853 2.0884 3.1134 1.4730 1.4974 1.4403 1.4732 3.7302 2.3735 2.4018 1.4052 1.4633 1.9573 2.1992 2.1933 2.0658 2.0173 1.7547 6.6849 1.2524 1.2664 1.2686 1.1014 1.2183 1.1767 1.2014 1.4332 1.2458 1.3759 1.2666 1.2329 1.2316 1.2266 1.2154 1.0393 1.0561 1.0599 1.0522 1.0533 1.0417 1.0406 1.0377 1.0516 1.0540 1.0581 1.0453 1.0759 1.0579 1.0584 1.0413 1.0399 1.0403 1.0383 1.0358 1.0957 1.0988 1.0633 1.0887 1.0916 1.0980 1.0995 1.1006 1.0963 1.1002 1.1032 1.1013 1.1013 1.1011 1.1006 1.1043 0.0005 0.0013 0.0016 0.0021 0.0077 0.0074 0.0176 0.0120 0.0176 0.0351 0.0459 0.0546 0.0784 0.0556 0.0428 0.0542 0.0579 0.0617 0.0659 0.0603 0.1063 0.2702 0.2146 0.2177 0.2335 0.3812 0.4528 0.4997 0.3871 0.4088 1.8032 2.0175 0.7231 0.8478 1.5837 0.4672 0.4676 0.4582 0.8930 0.8958 1.5522 0.8308 0.8469 0.8814 0.9042 2.3190 1.4900 1.5115 1.0012 1.0497 1.4310 1.6244 1.6218 1.6847 1.6500 1.4522 5.7179 1.1757 1.2022 1.2878 1.1214 1.2600 1.2297 1.2644 1.6210 1.4211 1.5710 1.5030 1.4640 1.4629 1.4598 1.4515 1.3480 1.3721 1.3785 1.3843 1.3882 1.3775 1.3764 1.3796 1.4018 1.4098 1.4166 1.4037 1.4581 5.6377 5.6461 5.5863 5.5880 5.6096 5.6002 5.6015 5.9476 5.9743 5.8003 5.9933 6.0729 6.1437 6.1723 6.1810 6.1677 6.2020 6.2362 6.2369 6.2490 6.2825 6.3252 6.3494 0.4382 0.1781 0.1422 0.2871 1.6652 0.1796 0.9357 0.4002 0.7663 0.9176 4.6140 2.5809 0.7660 0.7198 0.3447 2.5002 2.2347 0.7590 0.3602 0.0203 6.6367 8.5126 0.1404 0.1349 1.0063 5.5650 9.7547 2.5163 1.2979 2.6848 58.5811 283.1904 4.0601 48.2828 93.2825 10.5355 5.2858 0.8493 3.0978 1.3410 173.1998 2.1968 3.2759 20.0578 28.6395 206.2372 0.3334 0.1508 6.6183 5.7507 12.3720 0.3129 0.3316 8.6067 7.4768 19.9525 85.4134 14.8096 13.7169 8.9334 3.1557 20.6655 19.9146 6.2488 4.2225 1.9699 3.9874 19.7937 8.0824 3.1537 14.8441 9.1669 5.3017 3.4570 1.1334 5.6718 5.5181 3.7111 5.2485 14.7358 0.6554 11.7327 6.2275 4.8963 4.9590 13.2430 16.8987 53.9261 45.7036 22.1739 22.3072 19.6992 14.0951 12.9853 19.8101 3.1639 4.5589 20.6772 26.6571 46.6759 24.0567 20.9245 14.4373 37.6347 28.6672 11.6742 4.2010 20.1742 0.02 0.02 0.00 -0.00 0.04 -0.06 -0.01 0.04 -0.04 0.02 0.04 -0.07 -0.05 0.04 -0.04 -0.05 -0.03 0.01 0.05 -0.08 0.05 -0.04 -0.03 0.09 0.02 -0.05 0.09 -0.06 -0.03 -0.07 0.14 -0.18 -0.02 -0.04 -0.04 0.19 -0.06 0.04 0.18 0.04 0.04 -0.08 0.02 0.07 -0.10 -0.10 -0.07 0.02 0.04 -0.09 0.13 0.01 0.02 0.09 -0.07 -0.06 0.09 0.02 -0.02 0.00 0.06 -0.13 0.14 -0.07 -0.03 -0.14 -0.10 -0.07 -0.07 -0.01 0.01 -0.08 0.16 -0.26 0.04 0.15 -0.19 -0.05 0.16 -0.17 -0.11 -0.09 -0.09 0.19 -0.01 -0.01 0.20 -0.04 -0.04 0.24 -0.06 0.01 0.27 -0.07 0.05 0.21 -0.10 0.12 0.14 0.06 0.02 -0.09 0.03 0.02 -0.06 0.03 0.06 -0.11 0.03 0.08 -0.13 -0.00 0.08 -0.09 0.01 -0.01 0.02 -0.00 -0.03 -0.03 -0.01 -0.02 -0.01 -0.01 -0.03 -0.02 -0.04 -0.03 -0.01 0.02 0.06 0.06 0.02 -0.05 0.00 0.02 0.01 -0.00 -0.00 0.08 -0.02 -0.01 0.07 0.19 -0.00 -0.17 -0.06 0.06 0.01 -0.15 0.04 0.21 0.07 -0.03 -0.02 -0.01 -0.04 -0.03 -0.02 0.07 0.14 0.04 0.08 -0.07 0.10 -0.03 -0.09 0.02 0.02 0.06 0.04 -0.06 0.11 -0.12 0.01 0.04 -0.01 -0.00 0.11 0.24 0.01 0.12 0.21 -0.06 -0.00 0.22 0.01 -0.19 -0.03 0.01 -0.24 -0.04 -0.05 -0.16 -0.15 0.10 0.12 -0.18 0.06 -0.04 -0.21 0.05 -0.03 -0.18 0.08 0.19 0.18 0.03 0.30 0.04 0.04 0.26 0.07 -0.02 -0.02 -0.01 -0.03 -0.02 -0.00 -0.05 -0.03 -0.01 -0.04 -0.04 -0.03 -0.05 -0.03 -0.02 -0.01 -0.05 -0.04 -0.01 -0.06 0.04 0.01 -0.05 -0.01 -0.01 -0.07 -0.02 0.03 -0.03 -0.01 0.02 -0.03 -0.04 0.00 0.04 0.03 0.02 0.11 0.03 -0.02 0.15 0.02 0.14 -0.06 -0.12 -0.06 0.02 0.03 -0.11 0.15 0.14 0.06 0.19 0.03 -0.03 -0.06 -0.04 -0.03 -0.05 -0.04 -0.06 -0.08 -0.03 0.09 0.03 0.03 0.10 0.19 0.02 0.05 0.12 0.02 -0.10 0.15 0.00 -0.02 0.19 0.01 0.13 -0.15 -0.18 0.14 -0.05 -0.12 0.22 -0.01 -0.13 -0.04 0.08 0.03 -0.04 -0.04 0.03 -0.13 0.02 0.03 -0.18 0.07 0.15 -0.15 0.15 0.17 -0.11 0.25 0.18 0.14 0.19 0.05 0.05 0.27 0.01 0.07 0.15 0.04 -0.03 -0.07 -0.04 -0.03 -0.04 -0.03 -0.05 -0.05 -0.05 -0.04 -0.07 -0.04 -0.03 -0.04 -0.03 -0.03 -0.03 -0.01 -0.05 0.01 -0.03 -0.03 -0.02 -0.00 -0.00 0.00 0.02 -0.02 -0.06 -0.00 0.00 0.05 0.03 -0.04 -0.03 -0.02 -0.00 0.10 0.03 -0.04 -0.05 -0.01 0.05 0.03 0.07 -0.02 -0.04 -0.03 -0.07 0.13 -0.01 -0.07 -0.04 -0.00 0.13 -0.02 -0.05 0.33 0.03 0.07 -0.02 0.06 0.01 -0.06 -0.03 -0.01 0.02 0.08 0.04 0.02 0.14 0.06 -0.02 -0.04 -0.02 -0.04 -0.07 -0.01 0.05 -0.00 0.06 0.07 0.07 0.09 0.08 0.00 0.09 -0.02 -0.06 -0.02 -0.03 -0.03 -0.03 -0.01 -0.04 -0.04 -0.09 0.15 -0.02 -0.09 0.09 -0.03 -0.07 0.17 0.00 -0.09 -0.05 0.01 -0.07 -0.06 0.01 -0.08 -0.02 -0.01 0.03 -0.02 -0.04 0.16 -0.08 -0.21 0.43 0.01 0.01 0.29 0.10 0.22 0.41 0.03 0.06 -0.02 0.10 0.05 0.05 -0.07 0.10 -0.03 0.02 0.07 -0.09 -0.03 0.04 -0.03 0.05 0.07 -0.01 -0.01 -0.04 -0.01 -0.07 0.02 -0.02 -0.03 -0.08 0.02 -0.01 -0.08 -0.04 0.00 -0.12 -0.10 -0.12 0.01 0.03 -0.06 -0.01 0.14 0.04 -0.07 -0.03 0.01 -0.14 0.13 0.11 -0.08 0.03 -0.06 0.00 0.01 -0.08 0.06 -0.07 0.03 -0.12 -0.01 -0.09 -0.15 0.01 0.00 -0.11 -0.03 -0.01 -0.13 -0.04 0.01 -0.08 -0.02 -0.06 -0.18 -0.09 0.07 -0.16 -0.13 -0.13 -0.03 -0.12 -0.14 0.07 -0.10 -0.11 -0.03 0.09 -0.12 0.02 0.03 0.00 0.06 0.03 -0.08 -0.06 0.15 0.03 -0.04 0.16 0.09 -0.15 0.20 0.05 -0.02 -0.16 -0.07 -0.19 0.00 0.03 -0.29 0.18 0.13 -0.21 0.09 0.10 0.06 0.24 0.18 -0.04 -0.01 -0.03 0.02 -0.02 0.03 -0.00 0.00 -0.01 0.05 0.05 0.02 0.07 0.00 -0.05 0.05 0.03 -0.02 -0.01 -0.04 -0.02 -0.00 0.02 0.02 -0.04 -0.02 -0.03 -0.03 0.07 -0.03 -0.03 -0.04 -0.05 -0.02 -0.01 0.04 -0.06 -0.04 -0.01 -0.00 0.13 -0.01 0.07 -0.07 0.17 -0.16 0.04 -0.04 0.00 -0.06 -0.02 0.02 0.01 0.03 -0.05 0.06 0.04 -0.05 0.01 -0.02 -0.06 -0.03 -0.08 -0.03 0.08 -0.06 -0.01 0.10 -0.03 -0.05 0.07 -0.01 -0.04 -0.05 -0.08 -0.02 -0.05 -0.04 -0.00 -0.02 -0.05 -0.05 -0.01 0.04 -0.06 -0.05 0.03 -0.05 -0.02 0.07 -0.08 -0.08 -0.02 0.03 -0.03 -0.03 -0.02 -0.03 0.04 0.00 0.41 -0.07 0.01 0.05 -0.13 0.33 -0.00 0.13 -0.13 0.00 0.29 -0.41 -0.36 0.20 -0.10 0.05 0.08 0.05 -0.05 -0.03 -0.05 -0.02 -0.06 -0.00 -0.04 -0.06 0.00 -0.05 -0.10 0.00 0.08 0.05 -0.00 -0.03 0.04 -0.03 0.07 0.02 -0.09 -0.05 0.00 0.02 0.05 0.06 0.01 -0.02 0.10 0.00 0.17 -0.05 0.11 -0.14 0.03 0.07 -0.02 -0.05 -0.05 0.01 -0.01 -0.05 0.14 0.05 0.02 -0.02 0.04 -0.09 -0.03 0.18 -0.16 0.09 -0.13 -0.25 -0.02 0.01 -0.01 -0.01 -0.05 0.06 0.06 0.08 0.05 0.07 0.05 -0.02 0.00 0.06 -0.00 0.01 0.17 0.01 0.00 0.10 -0.03 -0.05 0.10 0.07 0.36 -0.26 0.23 0.07 0.11 0.35 0.14 -0.07 -0.07 -0.21 0.01 0.12 -0.13 -0.03 0.08 -0.16 0.12 0.05 -0.03 -0.08 -0.07 -0.01 -0.05 -0.07 0.02 -0.01 -0.09 0.00 -0.01 -0.03 0.02 0.01 -0.04 0.01 -0.03 0.01 0.02 0.01 0.03 0.02 0.02 0.02 0.02 0.00 -0.02 0.03 0.06 0.01 0.01 -0.03 0.00 -0.03 -0.01 -0.03 0.01 -0.01 0.02 0.02 -0.10 -0.10 0.03 -0.04 -0.02 -0.06 0.04 -0.00 -0.01 0.01 -0.03 -0.10 0.07 0.07 -0.03 0.02 -0.03 -0.01 -0.03 0.02 0.00 -0.04 0.01 -0.09 -0.00 -0.06 0.03 -0.05 0.03 0.02 0.02 0.05 0.19 -0.04 -0.29 -0.00 -0.36 -0.10 0.03 -0.06 -0.03 0.04 -0.04 -0.02 0.05 -0.02 -0.02 -0.08 0.04 -0.04 -0.08 0.08 0.02 -0.02 0.03 0.03 -0.05 0.06 -0.06 0.01 -0.03 -0.09 -0.01 0.01 0.00 -0.43 -0.02 0.31 0.03 -0.10 -0.11 0.01 0.46 0.15 -0.11 0.03 -0.02 -0.01 0.08 -0.08 -0.06 -0.00 -0.00 -0.03 -0.10 0.07 0.08 -0.02 0.01 0.05 0.08 0.07 -0.01 -0.02 -0.03 -0.01 -0.03 0.01 -0.01 -0.04 0.00 -0.07 -0.06 0.02 -0.00 -0.02 0.03 0.02 0.03 -0.01 0.01 -0.02 0.12 -0.01 0.03 0.03 -0.00 -0.02 -0.12 0.03 0.06 0.01 -0.01 0.03 -0.13 -0.03 0.00 0.02 -0.00 -0.03 -0.03 0.01 -0.01 -0.02 -0.04 -0.10 0.06 0.04 0.03 -0.05 0.10 -0.22 0.21 -0.03 0.12 0.31 -0.04 0.02 0.06 0.02 0.06 0.05 -0.00 -0.04 -0.14 -0.01 -0.11 -0.17 0.01 0.08 -0.17 0.05 0.11 0.01 0.04 0.05 -0.02 -0.01 0.06 0.04 -0.26 0.32 -0.28 0.18 -0.15 -0.44 0.02 -0.04 0.13 0.01 0.01 -0.01 -0.06 0.01 0.07 -0.07 -0.04 -0.01 -0.02 -0.04 -0.04 -0.00 -0.02 -0.04 0.02 -0.01 -0.04 0.01 -0.02 -0.01 0.02 -0.00 -0.02 0.02 -0.05 0.10 -0.06 0.08 -0.01 -0.01 0.04 0.03 0.09 0.02 -0.10 -0.10 0.11 0.03 0.08 -0.07 0.02 -0.05 0.00 0.03 0.07 -0.00 -0.06 -0.07 0.04 0.04 0.16 -0.09 -0.04 -0.03 -0.10 -0.03 0.05 0.01 -0.05 -0.02 -0.05 -0.04 -0.04 0.06 -0.06 -0.02 -0.09 0.02 0.11 -0.12 0.06 -0.05 -0.01 0.11 0.01 0.04 -0.09 0.14 -0.01 -0.12 -0.13 0.01 0.14 -0.06 0.16 0.04 0.17 -0.16 -0.03 0.20 -0.11 -0.08 0.17 -0.03 -0.07 -0.04 -0.19 -0.01 -0.04 -0.11 -0.01 0.01 -0.09 -0.13 0.15 -0.05 -0.01 -0.04 0.02 0.03 0.03 0.04 -0.16 0.16 -0.00 -0.18 -0.10 0.03 0.07 -0.10 -0.26 -0.10 -0.18 0.09 -0.03 -0.00 0.17 -0.15 -0.15 -0.04 0.01 -0.05 -0.25 0.11 0.16 -0.09 0.00 0.01 0.06 0.02 0.00 -0.07 0.06 -0.04 0.01 -0.05 0.09 0.03 -0.15 -0.14 0.11 -0.05 -0.01 0.03 -0.01 -0.02 -0.03 0.04 -0.01 0.02 -0.03 0.00 -0.03 -0.01 -0.03 0.04 -0.04 -0.07 0.01 0.06 0.01 0.01 -0.01 0.04 0.01 0.01 0.18 -0.07 0.10 0.03 -0.13 0.02 0.01 0.02 0.01 -0.01 -0.03 0.01 -0.04 0.04 -0.04 -0.01 -0.00 -0.06 0.02 -0.02 -0.04 -0.02 -0.06 -0.03 -0.02 0.04 -0.01 -0.01 0.01 -0.07 -0.06 0.07 -0.06 -0.08 0.05 0.03 -0.07 0.01 0.08 -0.08 0.00 0.11 0.06 -0.02 0.01 -0.00 0.04 0.03 0.01 -0.00 -0.05 -0.04 -0.01 0.06 0.08 -0.02 -0.07 0.10 0.09 0.07 0.42 0.04 0.16 0.12 -0.24 0.28 0.15 -0.23 0.27 0.10 0.10 -0.18 -0.24 -0.29 -0.07 0.05 0.04 -0.09 -0.07 0.02 0.08 0.04 0.00 -0.03 0.02 0.00 -0.00 0.15 -0.00 -0.04 0.03 0.06 -0.03 -0.11 -0.03 0.06 0.06 -0.01 0.11 -0.10 -0.00 0.01 -0.00 0.07 -0.03 -0.17 -0.13 0.02 0.13 -0.03 0.04 -0.07 -0.04 -0.02 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.03 0.08 -0.06 -0.11 -0.04 0.13 0.16 -0.12 0.17 -0.06 0.02 0.23 -0.11 -0.01 0.04 -0.12 0.04 -0.01 -0.02 0.09 -0.12 -0.08 0.08 0.02 0.07 0.04 -0.01 -0.20 -0.18 0.01 -0.18 -0.17 0.07 -0.17 -0.12 -0.07 -0.08 0.13 -0.06 0.37 -0.09 -0.17 0.17 -0.15 0.31 -0.01 -0.02 -0.08 -0.09 -0.01 0.01 -0.09 -0.12 -0.04 0.00 0.01 0.00 0.00 0.01 0.01 -0.03 -0.01 0.00 -0.01 -0.03 -0.01 -0.00 -0.01 -0.01 0.04 0.07 0.03 -0.01 0.06 0.01 0.07 -0.04 0.04 0.14 -0.05 -0.03 0.08 -0.08 0.04 -0.03 0.01 -0.00 -0.02 0.02 0.02 -0.05 0.02 -0.06 -0.00 0.01 0.00 -0.16 0.05 0.02 -0.03 -0.03 -0.00 -0.16 0.06 -0.01 -0.01 -0.02 -0.01 0.05 -0.03 -0.06 -0.01 -0.12 -0.07 0.02 0.02 0.01 -0.03 0.02 0.06 -0.08 0.08 -0.09 0.01 0.02 -0.11 0.02 0.01 0.01 -0.01 0.00 -0.01 -0.13 0.15 0.21 -0.07 -0.03 -0.10 -0.39 0.06 -0.04 -0.04 -0.08 -0.00 -0.04 -0.04 0.02 -0.01 -0.03 -0.06 -0.08 -0.05 0.04 -0.32 0.07 0.11 -0.18 0.19 -0.14 -0.08 -0.02 -0.03 0.01 -0.07 -0.04 0.01 0.01 0.01 -0.01 -0.04 -0.06 0.07 0.07 -0.07 -0.25 -0.02 -0.14 -0.04 -0.40 -0.05 0.16 -0.05 -0.03 -0.01 -0.01 -0.01 -0.09 0.07 -0.01 -0.03 -0.02 -0.01 0.01 -0.00 -0.00 -0.05 -0.09 -0.01 0.01 0.01 -0.01 -0.01 0.02 0.08 0.01 0.00 0.01 0.04 -0.02 0.01 0.02 0.01 -0.01 0.04 0.00 0.06 0.05 -0.01 0.01 0.17 -0.01 -0.03 -0.01 0.00 -0.02 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 -0.04 0.02 0.10 0.02 -0.01 0.02 -0.01 -0.00 0.03 0.11 -0.01 0.01 -0.04 -0.05 -0.06 0.01 -0.00 -0.06 -0.01 0.03 0.03 0.08 -0.00 0.01 0.01 -0.09 0.06 0.01 0.08 0.08 0.14 0.01 0.03 0.00 0.03 -0.01 0.12 -0.01 -0.04 0.06 -0.05 0.07 -0.25 -0.06 0.06 0.40 -0.26 -0.39 0.46 0.29 0.23 -0.03 0.00 -0.02 -0.00 0.03 -0.04 -0.06 0.01 -0.04 -0.02 -0.07 0.01 0.04 0.01 -0.00 -0.03 -0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.02 0.04 0.00 -0.01 -0.05 0.00 0.03 0.02 0.01 -0.05 0.00 -0.01 -0.01 0.01 0.01 -0.08 0.01 -0.02 -0.02 0.00 0.01 0.04 0.01 0.02 0.00 0.01 -0.01 0.05 0.01 0.01 0.01 0.02 0.00 -0.00 -0.00 -0.02 -0.01 0.07 0.03 -0.04 -0.01 -0.01 -0.02 0.01 0.09 -0.11 0.01 -0.04 -0.14 0.02 -0.01 -0.04 0.01 -0.04 -0.01 0.03 0.04 0.19 0.10 0.02 -0.03 -0.15 -0.01 0.02 -0.01 0.00 -0.01 -0.00 0.06 0.01 0.06 0.02 0.02 -0.45 0.09 -0.08 0.39 -0.03 -0.22 0.08 -0.09 0.57 0.14 0.02 0.02 -0.06 0.11 0.09 -0.06 -0.06 -0.05 0.01 0.00 -0.00 0.02 0.02 -0.00 -0.10 0.03 -0.07 -0.01 -0.13 0.01 0.07 0.03 0.02 -0.00 0.00 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.08 0.04 0.00 -0.06 -0.08 -0.00 -0.02 0.01 -0.00 -0.01 -0.04 0.01 -0.01 0.00 0.03 0.02 -0.07 -0.03 0.01 0.01 -0.01 -0.04 0.04 0.06 0.02 -0.00 -0.02 0.04 0.02 0.03 0.03 0.06 0.01 -0.01 0.03 0.00 -0.05 0.01 -0.01 -0.04 -0.04 -0.03 -0.00 -0.04 0.05 -0.03 0.02 0.06 0.05 -0.05 -0.11 -0.00 -0.14 -0.05 -0.03 -0.01 -0.23 -0.14 0.06 0.12 0.21 -0.04 0.05 -0.07 0.08 0.01 -0.06 0.09 0.07 -0.02 0.03 0.14 0.17 -0.02 0.02 -0.09 0.01 0.06 -0.00 -0.00 -0.18 0.36 0.04 0.06 -0.10 0.28 0.20 -0.11 -0.15 -0.09 -0.01 0.05 0.01 0.03 0.11 0.01 -0.26 0.17 -0.19 -0.05 -0.29 0.07 0.21 0.19 0.10 -0.02 0.00 0.01 -0.03 0.06 -0.00 0.00 -0.01 0.03 -0.05 -0.05 -0.01 0.06 0.04 0.02 -0.01 0.01 0.01 -0.03 -0.00 0.00 -0.00 0.00 0.02 0.02 -0.06 -0.05 -0.00 0.01 -0.02 0.05 0.03 0.01 0.02 -0.00 -0.00 0.04 0.04 0.01 -0.01 -0.07 -0.03 0.01 -0.07 -0.02 -0.02 0.01 0.01 -0.10 -0.00 -0.01 0.00 -0.02 0.03 -0.02 0.01 0.04 0.07 -0.03 -0.13 -0.01 -0.15 -0.07 -0.01 0.00 -0.07 -0.04 0.01 0.00 0.04 0.02 -0.01 -0.12 -0.25 -0.08 -0.09 0.34 0.11 0.44 0.03 -0.01 0.08 0.00 0.01 -0.01 0.00 0.02 0.01 -0.01 -0.06 0.34 0.05 0.04 -0.09 0.28 0.16 -0.10 -0.12 -0.11 0.02 -0.06 -0.03 -0.01 -0.10 -0.02 0.17 -0.17 0.14 0.04 0.15 -0.08 -0.16 -0.19 -0.10 0.05 -0.01 0.02 -0.03 -0.01 -0.00 -0.00 0.01 -0.06 -0.02 0.04 0.00 0.01 -0.04 -0.06 0.04 -0.04 0.02 -0.02 -0.03 0.02 0.03 -0.01 0.00 0.00 -0.05 -0.01 -0.01 -0.02 0.01 -0.04 0.01 0.05 -0.03 0.02 0.00 0.05 0.01 0.02 -0.04 0.05 0.01 -0.00 0.06 0.03 0.05 -0.04 0.03 -0.04 -0.03 0.01 0.04 -0.00 0.00 0.06 0.01 0.00 0.02 -0.03 -0.06 -0.02 -0.09 -0.03 0.08 0.01 0.49 0.32 -0.17 -0.32 -0.49 0.11 -0.16 -0.07 0.02 0.01 -0.06 0.06 0.07 -0.00 0.01 0.09 -0.02 -0.01 0.01 -0.09 0.00 0.03 -0.04 0.08 -0.03 0.18 0.01 0.05 -0.00 0.13 0.05 0.01 -0.05 -0.01 -0.07 0.05 0.01 -0.03 0.06 -0.02 0.10 0.01 0.08 0.00 0.19 0.04 -0.06 0.01 -0.00 0.05 0.04 0.03 -0.01 0.02 -0.00 0.02 0.01 -0.02 -0.01 0.01 -0.01 0.02 -0.05 -0.02 0.01 -0.04 -0.00 -0.01 -0.01 0.02 -0.01 -0.02 -0.09 0.01 -0.03 -0.00 0.02 -0.05 0.06 -0.05 -0.00 0.03 -0.09 -0.01 -0.01 0.02 -0.00 0.01 -0.04 0.03 -0.03 -0.00 0.01 0.01 0.05 -0.03 0.00 -0.02 -0.01 0.02 -0.07 0.06 -0.13 0.05 -0.06 -0.17 0.04 -0.02 -0.03 -0.00 -0.06 -0.01 -0.04 -0.04 -0.26 -0.22 0.10 0.34 0.35 -0.20 0.21 -0.00 0.11 0.04 -0.01 -0.09 0.01 -0.17 -0.00 0.06 -0.26 -0.02 -0.04 -0.01 -0.02 -0.07 -0.06 0.04 0.16 0.08 -0.00 0.02 -0.01 0.05 0.04 -0.01 -0.04 -0.01 -0.09 0.03 -0.02 -0.03 0.06 -0.06 0.21 -0.11 0.20 0.03 0.29 -0.03 -0.18 -0.15 -0.09 0.04 0.02 0.01 0.00 -0.05 0.02 -0.00 -0.00 -0.03 -0.01 0.02 0.01 0.00 0.01 -0.03 0.01 -0.02 0.00 -0.02 0.00 -0.01 -0.00 -0.01 -0.03 -0.05 0.04 0.02 0.01 -0.02 0.03 0.03 -0.00 -0.01 -0.04 -0.00 -0.00 -0.03 0.01 -0.01 0.01 0.01 0.04 0.00 0.04 0.02 0.02 -0.02 0.01 0.00 0.00 -0.01 -0.02 0.02 -0.05 0.03 -0.02 -0.06 -0.11 0.02 0.06 -0.03 0.11 0.02 -0.01 -0.02 -0.05 -0.05 0.02 0.10 0.09 -0.07 0.07 -0.22 -0.41 -0.14 -0.17 0.38 0.17 0.54 0.00 -0.09 -0.10 -0.02 -0.01 -0.03 -0.01 -0.02 -0.04 0.03 0.04 -0.12 0.01 -0.02 0.02 -0.06 -0.08 0.03 0.06 0.04 0.04 0.01 0.04 -0.00 -0.02 0.06 -0.11 0.12 -0.13 -0.02 -0.12 0.06 0.12 0.16 0.09 0.03 0.03 0.04 -0.06 0.02 -0.04 -0.02 -0.00 -0.03 -0.10 -0.03 0.02 0.10 0.13 -0.05 0.01 -0.02 0.02 -0.02 -0.02 0.01 -0.00 -0.01 -0.03 -0.00 -0.04 -0.02 0.02 -0.03 0.02 0.01 0.01 0.01 -0.03 -0.01 -0.00 0.05 0.01 0.00 0.04 -0.10 0.07 0.02 -0.01 -0.00 0.03 -0.03 0.03 -0.04 -0.02 -0.00 -0.04 0.02 -0.04 0.03 -0.02 -0.06 0.03 -0.03 -0.05 -0.03 -0.08 -0.04 0.02 -0.04 -0.01 0.01 -0.01 0.04 0.06 -0.03 0.03 0.17 0.23 0.11 0.13 -0.17 -0.13 -0.25 0.00 0.08 -0.08 -0.01 -0.01 -0.00 -0.01 -0.02 -0.02 0.01 0.05 0.12 -0.00 0.04 0.04 0.08 -0.01 0.06 -0.01 0.01 0.20 -0.08 0.07 0.01 -0.24 0.15 -0.24 0.17 -0.32 -0.02 -0.38 0.05 0.25 0.26 0.17 -0.09 0.00 0.11 -0.03 -0.09 -0.01 -0.02 0.02 -0.01 0.12 0.06 -0.04 0.23 -0.06 -0.04 -0.09 0.04 0.10 -0.07 -0.09 -0.05 -0.12 0.07 -0.02 -0.12 -0.03 -0.00 0.04 -0.00 -0.03 0.10 0.03 -0.02 0.07 -0.01 -0.01 0.03 0.03 -0.01 0.02 0.11 -0.03 -0.01 -0.00 -0.01 -0.10 -0.02 0.12 -0.07 -0.08 -0.11 -0.25 0.12 -0.06 -0.08 -0.01 -0.13 -0.24 -0.03 0.01 -0.10 0.09 0.01 0.05 -0.14 -0.06 0.10 -0.03 -0.09 0.11 0.13 -0.08 0.22 0.11 0.09 0.17 0.07 -0.20 0.08 0.01 0.10 0.06 0.06 -0.04 0.26 0.05 -0.07 0.08 -0.22 0.07 0.02 0.02 0.03 0.08 0.09 -0.16 0.14 0.05 0.09 -0.07 0.11 -0.03 0.04 0.19 -0.07 -0.00 -0.05 0.15 -0.00 0.05 -0.04 -0.05 -0.12 -0.09 0.05 -0.06 -0.02 -0.05 -0.05 -0.06 0.03 -0.03 0.06 0.07 -0.03 0.02 -0.04 0.13 0.06 0.09 -0.00 -0.04 -0.07 -0.09 -0.04 0.11 -0.01 -0.01 -0.13 -0.04 0.02 -0.14 0.07 -0.05 0.06 0.03 0.01 -0.01 0.05 0.01 0.05 0.02 0.01 -0.04 0.03 0.01 -0.01 0.06 0.03 0.13 0.02 -0.04 -0.08 -0.09 -0.09 0.16 0.00 -0.00 0.10 0.02 0.02 -0.26 -0.05 0.04 -0.11 0.09 0.03 -0.19 0.29 -0.23 -0.39 -0.01 0.07 -0.08 -0.00 0.00 0.14 0.13 0.08 0.11 0.08 -0.13 0.03 0.01 0.15 -0.05 0.01 0.01 -0.10 0.01 0.02 -0.01 0.18 0.00 0.05 0.01 0.06 0.11 0.09 -0.18 0.19 0.05 0.13 -0.12 -0.00 -0.00 -0.02 0.12 -0.03 0.11 0.01 0.05 -0.00 0.18 0.05 -0.06 0.03 0.02 -0.01 0.12 -0.08 -0.04 -0.02 0.05 -0.01 0.00 0.04 0.04 0.01 0.01 -0.03 0.01 0.04 0.01 -0.03 -0.10 -0.07 -0.02 -0.02 0.03 -0.09 0.05 -0.08 -0.02 -0.04 0.12 -0.07 0.09 0.13 0.01 -0.03 -0.07 -0.06 0.01 -0.00 0.03 -0.04 0.02 0.02 -0.02 -0.00 -0.02 -0.01 -0.02 0.01 -0.13 -0.10 -0.02 -0.04 0.17 -0.20 0.12 -0.06 -0.00 0.21 -0.10 -0.01 -0.06 -0.09 -0.01 -0.05 0.17 -0.16 0.32 0.34 0.10 0.06 -0.00 -0.17 0.12 0.30 0.07 0.14 0.24 -0.01 -0.25 0.06 0.01 0.01 -0.01 -0.10 0.04 -0.22 -0.09 0.07 -0.09 0.07 -0.10 0.03 0.02 -0.01 0.00 0.08 -0.09 0.03 0.02 -0.00 -0.02 0.01 -0.02 0.02 0.05 -0.03 -0.01 -0.03 0.05 0.00 -0.01 -0.03 -0.02 -0.06 -0.04 0.04 -0.05 0.03 -0.06 -0.01 0.16 -0.02 -0.01 -0.04 -0.01 0.01 -0.02 -0.04 -0.06 -0.04 0.03 0.00 0.03 -0.02 0.10 0.02 0.03 0.02 -0.03 0.05 0.01 -0.10 -0.08 0.04 -0.04 0.18 -0.02 -0.07 0.02 0.03 -0.00 -0.06 0.02 -0.08 -0.02 0.00 0.02 -0.00 0.03 0.02 0.05 -0.01 0.04 -0.06 0.09 0.07 -0.01 0.07 -0.05 0.07 0.00 -0.08 0.23 0.04 -0.20 -0.01 -0.19 -0.15 -0.11 0.14 -0.18 -0.23 -0.05 0.01 -0.01 0.05 -0.04 0.38 -0.04 0.18 0.32 -0.15 -0.29 0.06 -0.00 -0.19 -0.02 0.03 -0.01 0.04 0.03 -0.02 0.02 0.04 0.04 0.02 0.03 -0.10 -0.13 0.04 0.07 -0.18 -0.03 -0.19 -0.00 0.01 0.02 -0.02 -0.01 0.02 0.01 0.04 -0.03 -0.01 0.03 0.04 0.02 0.07 0.04 -0.04 -0.03 0.03 0.09 0.03 0.02 -0.07 0.12 -0.01 -0.16 0.10 0.02 0.05 -0.14 -0.01 0.13 -0.05 -0.02 -0.04 -0.06 -0.03 0.16 -0.05 0.01 -0.09 -0.02 0.02 -0.06 0.01 -0.01 0.01 0.02 -0.00 -0.00 0.03 0.01 0.01 0.01 0.01 0.10 0.03 -0.05 0.01 -0.13 -0.07 0.17 -0.04 -0.02 -0.06 -0.05 -0.05 0.25 -0.07 0.04 0.14 0.01 0.08 -0.20 -0.03 0.06 -0.05 0.10 0.05 -0.10 0.21 -0.10 -0.24 -0.05 0.08 -0.06 -0.08 0.04 0.04 0.06 0.02 0.03 0.05 -0.06 0.01 0.01 0.08 -0.06 -0.01 0.01 -0.13 -0.04 0.02 -0.01 0.22 0.01 0.01 0.00 0.03 0.04 0.05 -0.09 0.08 0.01 0.08 0.20 0.06 -0.04 0.07 -0.14 -0.02 -0.21 -0.10 0.09 0.02 -0.32 -0.17 0.04 -0.24 -0.15 0.13 -0.05 -0.06 0.09 0.08 0.05 0.08 0.03 -0.01 -0.09 -0.02 0.07 -0.15 -0.04 0.02 -0.12 0.03 0.08 -0.12 -0.07 -0.02 -0.17 0.07 -0.03 -0.18 -0.05 0.01 0.02 -0.02 -0.01 0.04 0.02 0.01 0.02 -0.00 -0.02 0.01 0.02 -0.00 0.00 -0.06 -0.01 0.01 -0.04 -0.02 -0.18 0.02 0.07 -0.17 -0.07 -0.04 -0.33 0.16 -0.09 -0.08 -0.01 -0.19 -0.31 -0.06 0.05 -0.15 0.10 0.03 0.04 -0.17 0.03 0.14 -0.03 -0.10 0.04 0.11 -0.07 0.16 0.09 0.12 0.11 0.06 -0.17 0.02 0.00 0.12 0.07 0.05 -0.03 0.19 0.08 -0.04 0.03 -0.22 0.01 0.06 0.01 0.04 0.05 0.13 -0.17 0.13 0.00 0.12 0.05 -0.06 -0.02 -0.00 -0.11 0.00 -0.02 -0.03 -0.03 0.01 -0.07 -0.04 0.01 -0.04 -0.02 0.08 -0.02 -0.04 -0.10 -0.09 -0.05 -0.01 0.02 0.02 -0.05 0.08 0.23 -0.02 0.08 0.03 -0.03 -0.00 0.02 0.07 -0.03 0.05 -0.05 0.03 -0.01 0.09 0.06 -0.06 -0.00 -0.02 0.00 0.02 -0.03 0.10 0.01 0.01 -0.01 -0.05 0.02 -0.08 0.11 0.12 -0.07 0.00 -0.11 -0.08 -0.06 -0.01 0.02 0.14 -0.04 0.08 -0.10 0.07 -0.03 -0.00 0.00 -0.07 0.14 0.07 -0.11 0.05 -0.03 -0.09 -0.00 -0.05 0.01 0.02 -0.03 -0.02 -0.01 0.01 -0.02 -0.01 -0.01 0.06 0.00 0.01 0.13 0.05 -0.03 0.14 0.03 0.03 -0.01 0.06 0.04 -0.01 0.01 -0.06 -0.00 -0.14 0.03 -0.13 -0.08 -0.12 0.07 -0.16 0.04 -0.17 0.00 0.03 -0.13 0.13 0.15 -0.15 -0.23 -0.12 0.26 0.03 -0.26 -0.22 -0.02 -0.35 -0.25 0.02 -0.05 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.01 0.03 -0.01 0.00 0.00 0.04 0.16 0.08 -0.00 0.04 -0.03 -0.01 -0.13 -0.01 0.00 -0.02 0.03 0.13 0.22 -0.06 -0.02 0.01 -0.06 -0.15 -0.15 -0.00 0.03 -0.02 0.04 0.02 0.02 -0.01 -0.00 -0.01 -0.01 0.11 0.21 0.08 -0.02 0.04 -0.04 -0.11 -0.16 -0.03 -0.04 -0.16 -0.02 0.03 -0.02 0.04 0.01 -0.03 0.03 0.13 0.05 -0.14 0.16 0.12 -0.15 0.22 0.42 -0.14 -0.03 -0.02 -0.06 -0.02 -0.03 -0.03 -0.03 0.02 -0.13 -0.30 -0.21 -0.01 -0.26 -0.22 -0.01 -0.15 0.08 0.07 0.06 -0.02 0.06 0.03 0.03 0.01 0.05 -0.02 0.06 0.00 0.01 -0.02 0.02 0.02 -0.02 -0.04 -0.02 0.04 0.00 -0.04 -0.03 -0.00 -0.05 -0.04 -0.03 -0.01 0.02 0.05 0.05 -0.04 0.00 -0.01 -0.01 0.01 -0.03 -0.07 0.01 -0.02 -0.01 0.03 0.05 0.02 0.02 -0.15 0.10 0.02 -0.05 -0.00 -0.01 0.07 -0.09 0.04 0.07 -0.02 0.06 -0.05 0.24 -0.05 -0.04 0.00 -0.12 0.06 -0.15 -0.03 -0.04 0.02 -0.00 0.03 0.02 0.05 0.06 0.02 0.06 -0.16 0.16 0.01 -0.07 0.00 -0.01 -0.04 0.02 -0.11 0.08 -0.14 -0.04 0.10 -0.12 0.03 0.04 -0.04 0.04 0.04 -0.04 0.06 0.12 -0.04 0.10 0.08 0.23 0.07 0.10 0.13 0.10 -0.08 0.47 -0.10 -0.07 -0.00 -0.10 -0.07 0.00 -0.05 0.05 0.02 -0.23 0.08 -0.22 -0.13 -0.10 -0.03 -0.19 0.09 -0.22 0.00 -0.01 0.04 -0.04 -0.05 0.04 0.07 0.03 -0.08 -0.01 0.08 0.07 0.01 0.10 0.08 -0.22 0.07 0.08 0.10 0.07 0.03 0.15 -0.19 -0.21 0.08 -0.04 0.38 -0.14 0.17 -0.23 0.08 -0.04 0.06 -0.10 0.04 0.06 0.09 -0.03 0.01 -0.08 -0.03 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.04 0.06 -0.03 -0.00 -0.03 -0.04 0.10 -0.03 0.06 -0.09 0.03 0.05 0.09 -0.05 0.01 0.08 -0.01 0.03 -0.04 -0.02 -0.01 -0.11 -0.06 -0.02 -0.02 0.07 -0.05 -0.09 -0.06 0.02 0.00 0.00 0.00 0.06 -0.04 0.10 0.04 -0.00 -0.07 -0.01 -0.00 -0.03 -0.05 -0.01 0.00 -0.05 -0.04 0.00 0.01 0.11 0.02 0.06 -0.00 0.02 0.00 0.08 -0.07 0.05 -0.03 0.05 -0.25 -0.12 -0.15 0.10 0.31 -0.18 -0.10 -0.05 0.17 0.02 -0.08 -0.13 -0.04 -0.20 -0.17 -0.17 0.05 -0.05 -0.20 -0.07 0.03 0.36 0.19 -0.02 -0.10 -0.01 -0.06 -0.12 -0.08 0.07 0.10 -0.07 0.24 0.15 -0.12 -0.12 0.06 -0.02 0.02 0.05 0.00 -0.01 -0.00 -0.04 0.01 0.00 0.01 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.08 0.01 0.01 -0.01 0.00 0.05 -0.03 0.20 0.13 -0.12 -0.11 -0.16 0.09 -0.07 0.22 -0.09 -0.17 -0.14 -0.02 0.04 0.14 0.16 0.06 -0.02 0.01 -0.09 -0.08 -0.23 -0.07 0.03 0.15 -0.07 -0.07 0.12 -0.15 -0.04 0.06 0.03 0.01 -0.02 0.12 -0.06 0.04 -0.03 -0.02 -0.07 -0.05 0.01 0.07 0.03 -0.05 -0.01 0.02 0.00 -0.05 0.03 -0.02 0.06 -0.03 0.14 -0.01 0.05 -0.06 -0.20 0.10 0.06 -0.00 -0.11 0.01 0.01 0.04 0.02 0.07 0.06 -0.03 0.03 -0.07 0.06 -0.07 -0.10 0.01 0.03 0.03 -0.01 0.01 -0.04 0.01 -0.01 0.05 0.05 -0.04 0.17 -0.17 0.18 0.17 0.03 -0.01 0.02 -0.05 0.00 0.02 -0.01 -0.04 0.01 -0.00 -0.01 0.05 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.14 -0.08 0.18 0.13 -0.17 0.12 -0.07 0.18 -0.08 -0.18 0.34 0.05 -0.14 -0.23 -0.36 -0.13 -0.03 -0.01 -0.07 -0.07 -0.20 -0.05 0.02 0.11 -0.06 0.09 -0.23 0.25 0.06 -0.10 -0.04 0.03 0.02 -0.22 -0.03 0.05 -0.03 -0.01 -0.05 -0.05 0.01 0.04 0.01 0.08 0.02 -0.07 -0.00 0.05 -0.04 0.03 -0.11 0.03 0.03 0.02 0.02 -0.01 -0.03 0.02 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 0.01 0.01 0.06 -0.13 0.00 0.07 0.06 -0.13 -0.08 0.02 0.06 -0.00 0.00 0.03 0.02 -0.01 0.08 -0.06 0.27 0.09 -0.10 -0.09 0.04 -0.02 0.02 0.03 0.00 -0.01 -0.02 -0.06 0.02 0.00 0.01 -0.03 0.01 0.01 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.22 0.03 -0.10 -0.07 -0.29 0.20 -0.13 0.31 -0.14 -0.30 -0.19 -0.03 0.09 0.13 0.21 0.08 -0.04 -0.03 -0.12 -0.13 -0.32 -0.09 0.02 0.19 -0.10 -0.05 0.13 -0.14 -0.04 0.05 0.02 -0.02 -0.01 0.12 -0.05 0.09 -0.05 -0.02 -0.07 -0.08 0.01 0.07 0.02 -0.05 -0.01 0.04 0.00 -0.03 0.03 -0.02 0.06 -0.02 -0.06 -0.00 -0.01 0.02 0.07 -0.03 -0.00 0.00 0.02 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.02 -0.00 -0.09 0.21 -0.04 0.22 -0.09 0.19 0.00 -0.02 -0.08 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 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 -0.09 -0.24 0.04 0.01 -0.09 -0.05 -0.02 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.02 -0.01 0.02 -0.02 -0.02 0.05 0.03 -0.04 -0.02 -0.06 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.02 -0.02 -0.01 0.00 0.03 -0.00 -0.00 0.01 -0.04 0.01 -0.02 0.00 0.01 -0.04 0.01 -0.43 -0.31 0.02 -0.01 0.09 -0.16 0.32 -0.09 -0.44 0.03 0.18 -0.06 -0.13 0.21 0.17 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.05 0.04 0.03 0.01 -0.01 0.02 0.07 -0.05 -0.05 -0.00 0.00 -0.00 -0.01 0.00 0.02 0.00 -0.00 0.01 0.02 -0.02 -0.02 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 -0.14 0.05 -0.03 -0.02 0.09 -0.02 0.02 -0.07 -0.07 -0.21 -0.18 0.38 0.06 0.49 -0.10 0.00 -0.00 0.01 0.01 0.03 0.01 -0.00 -0.02 0.01 0.05 -0.10 0.13 0.03 -0.04 -0.05 0.01 0.02 -0.09 0.01 0.08 -0.02 -0.03 -0.07 -0.04 -0.00 0.02 -0.03 -0.04 -0.14 0.39 -0.08 0.08 0.16 -0.16 0.36 -0.21 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.06 0.01 -0.01 -0.01 0.04 -0.03 0.09 -0.01 0.01 0.01 -0.00 0.02 -0.02 0.00 -0.00 -0.00 0.01 -0.01 0.03 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.12 -0.03 -0.06 0.03 -0.01 0.01 -0.12 0.44 -0.12 0.09 -0.37 -0.32 0.04 0.03 -0.08 -0.01 -0.10 0.02 0.02 -0.01 0.07 0.07 0.16 0.03 -0.02 -0.10 0.04 -0.01 0.02 -0.03 -0.01 0.01 0.01 -0.00 -0.00 0.02 0.06 0.39 -0.10 -0.16 -0.35 -0.22 -0.02 0.10 -0.17 0.01 0.03 -0.08 0.02 -0.01 -0.03 0.03 -0.07 0.04 0.02 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.02 -0.00 -0.00 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.04 -0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 0.01 -0.05 -0.02 0.00 -0.04 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 0.00 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 -0.01 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 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.44 -0.09 -0.16 -0.19 -0.09 0.46 0.16 -0.09 0.06 -0.15 0.05 0.47 0.39 -0.16 -0.20 -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 0.17 -0.09 -0.03 -0.05 -0.03 0.00 -0.13 0.09 0.06 0.03 0.03 -0.00 0.08 0.07 -0.02 -0.01 0.00 -0.02 -0.10 -0.07 0.01 0.02 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.09 -0.18 -0.00 -0.03 -0.03 0.04 -0.04 0.18 0.04 -0.04 0.09 -0.01 0.02 0.04 -0.03 0.01 0.01 -0.02 0.05 0.52 0.05 -0.16 -0.01 0.09 -0.17 -0.16 0.04 0.03 0.03 0.02 0.00 0.09 -0.11 0.03 -0.01 0.06 0.19 0.12 -0.00 0.14 -0.01 -0.07 -0.11 -0.53 -0.14 -0.04 0.01 -0.04 0.02 -0.11 0.11 -0.03 -0.02 -0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.05 -0.03 -0.01 0.17 0.10 -0.01 -0.03 0.02 0.01 -0.12 -0.11 0.00 0.02 0.02 -0.01 0.05 -0.01 0.09 -0.03 -0.02 0.00 -0.08 0.02 -0.09 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.05 -0.00 0.11 0.12 -0.14 -0.01 0.05 0.01 -0.01 0.03 0.00 -0.06 -0.15 0.12 -0.05 -0.04 0.06 0.01 0.14 0.01 -0.05 -0.01 0.02 -0.05 -0.04 0.01 -0.12 -0.11 -0.07 -0.00 -0.32 0.40 -0.13 0.03 -0.21 0.05 0.03 0.00 0.04 -0.00 -0.02 -0.03 -0.15 -0.04 0.16 -0.04 0.15 -0.06 0.41 -0.39 0.11 0.09 0.07 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.08 0.01 -0.01 0.27 0.01 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.13 -0.05 0.06 0.05 -0.16 -0.13 0.01 0.00 -0.00 0.03 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.02 0.01 0.01 0.02 0.00 0.01 -0.00 0.00 -0.01 0.02 -0.03 -0.01 0.00 0.02 -0.01 -0.00 0.01 0.00 0.02 -0.00 -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 -0.10 0.29 0.28 -0.12 0.08 0.12 0.43 -0.16 -0.60 0.05 0.15 -0.05 0.03 0.16 0.10 -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 0.01 -0.00 -0.00 0.00 0.01 -0.01 0.11 -0.00 -0.00 0.00 -0.01 -0.02 0.06 0.00 0.00 -0.00 0.01 -0.01 -0.13 0.00 0.00 -0.00 -0.03 -0.00 -0.08 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.14 -0.07 0.46 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.23 -0.07 0.23 -0.12 -0.06 -0.05 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.05 0.35 -0.34 -0.09 0.25 -0.07 -0.01 -0.06 0.31 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.07 -0.07 0.19 -0.08 0.24 -0.14 -0.01 0.19 -0.07 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 -0.04 -0.10 0.05 0.00 0.00 -0.00 -0.01 -0.06 0.02 0.00 0.00 -0.00 0.03 0.11 -0.08 -0.00 -0.00 0.00 0.05 0.06 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.26 -0.37 0.12 -0.00 0.00 -0.01 -0.28 -0.19 0.00 0.14 -0.01 -0.04 -0.00 0.00 -0.00 0.00 0.00 0.00 0.08 0.20 0.20 0.08 0.46 0.14 -0.07 -0.30 0.11 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.11 -0.19 0.02 0.00 0.18 0.12 0.07 0.22 0.14 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.00 -0.00 0.00 0.00 0.03 0.10 -0.01 0.00 0.00 0.00 -0.05 0.05 0.02 -0.00 -0.00 -0.00 0.07 -0.09 -0.01 0.00 0.00 -0.00 0.07 -0.04 -0.02 0.00 0.00 0.00 -0.00 0.03 0.02 0.01 -0.01 -0.01 -0.15 0.01 -0.01 -0.00 0.00 0.00 -0.24 -0.09 0.02 -0.26 -0.11 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.40 -0.01 -0.26 -0.30 0.07 -0.26 -0.22 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.24 -0.14 -0.04 -0.23 -0.17 0.04 0.07 0.42 0.08 -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 0.03 0.03 0.03 -0.01 -0.04 0.01 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 -0.01 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.04 -0.10 0.00 -0.00 -0.00 0.05 0.05 -0.02 -0.00 0.00 0.00 -0.08 -0.07 0.05 -0.00 0.00 0.00 -0.07 -0.05 0.01 -0.00 0.04 0.03 0.01 -0.02 -0.02 0.00 0.00 -0.00 0.14 0.02 0.05 0.00 0.00 -0.00 0.01 0.00 -0.00 0.20 0.00 0.15 0.23 -0.02 0.16 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.18 -0.06 0.34 0.03 0.21 -0.33 0.22 -0.10 0.26 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.22 -0.08 0.16 -0.02 0.29 -0.32 0.18 -0.04 0.23 -0.02 0.03 0.02 -0.00 0.05 0.04 0.05 -0.02 -0.06 0.01 0.01 -0.01 0.03 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 0.03 -0.01 -0.06 -0.22 -0.03 -0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.02 0.04 0.01 -0.01 0.00 -0.02 -0.02 0.01 -0.01 0.02 0.00 0.02 0.03 -0.02 -0.02 0.01 -0.00 0.02 0.02 -0.01 0.00 0.28 0.22 0.07 -0.11 -0.15 0.00 -0.00 -0.01 -0.05 -0.01 0.00 0.03 0.02 -0.01 0.10 0.04 -0.01 -0.06 -0.00 -0.04 -0.10 0.00 -0.07 -0.01 -0.08 -0.01 0.05 0.05 -0.02 0.05 0.06 -0.00 -0.06 0.02 -0.11 -0.01 -0.06 0.09 -0.07 0.04 -0.09 0.05 0.00 0.01 0.06 0.06 0.00 -0.01 -0.10 -0.00 -0.08 0.02 -0.04 -0.00 -0.09 0.12 -0.07 0.03 -0.09 -0.15 0.17 0.17 -0.03 0.35 0.31 0.31 -0.12 -0.36 0.08 0.08 -0.09 0.19 0.02 -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 -0.04 -0.08 0.04 -0.01 -0.01 -0.00 0.14 -0.13 0.17 0.00 0.00 0.00 -0.06 0.06 -0.03 0.00 0.01 0.00 -0.06 0.15 -0.12 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.23 -0.04 -0.17 -0.00 -0.01 -0.00 -0.02 -0.02 0.00 -0.00 -0.14 0.19 0.35 -0.10 0.39 0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.06 -0.17 0.20 0.04 -0.01 -0.20 0.04 0.09 -0.27 0.00 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.06 0.23 -0.38 0.01 0.05 -0.22 0.00 -0.02 -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 -0.03 0.09 0.04 -0.00 -0.00 0.00 0.16 0.19 0.05 0.01 -0.01 0.01 -0.06 -0.05 -0.06 -0.00 0.00 -0.00 -0.06 -0.18 -0.08 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.27 -0.07 0.06 -0.01 -0.00 -0.01 0.03 0.24 0.01 0.41 0.30 -0.03 -0.00 -0.01 0.01 0.02 -0.00 0.02 -0.02 -0.16 0.13 0.08 0.25 0.07 -0.03 -0.30 0.08 0.00 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.14 -0.43 -0.00 -0.02 -0.04 0.05 -0.05 -0.20 0.08 -0.00 0.01 -0.02 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 0.02 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 0.05 -0.10 0.02 -0.00 0.01 -0.01 -0.06 0.04 0.05 -0.00 0.00 -0.00 -0.07 0.07 -0.01 0.00 -0.00 0.00 0.03 -0.04 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.02 0.52 -0.09 -0.22 0.02 -0.00 0.00 -0.02 0.00 0.01 0.22 0.05 0.01 -0.27 -0.17 -0.15 0.00 -0.01 0.01 0.01 0.02 0.00 0.00 -0.01 0.00 0.09 -0.23 0.27 0.08 -0.03 -0.25 0.10 0.11 -0.30 -0.01 0.01 -0.00 -0.01 -0.02 -0.01 0.00 0.01 -0.01 -0.02 -0.11 0.21 -0.06 0.06 0.11 -0.08 0.19 -0.15 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.01 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.06 0.07 0.09 -0.00 0.01 -0.00 -0.04 0.02 -0.07 0.00 -0.00 0.00 -0.06 -0.04 -0.08 0.00 -0.01 0.00 0.01 -0.01 0.06 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.42 -0.17 0.31 -0.03 0.01 0.01 0.18 -0.08 0.01 -0.32 0.01 0.13 -0.00 -0.00 0.00 0.01 0.00 0.01 0.00 -0.21 0.18 0.12 0.35 0.08 0.03 -0.36 0.10 -0.01 0.01 -0.01 -0.00 0.00 0.02 -0.01 -0.01 0.02 0.02 0.24 -0.03 -0.08 -0.21 -0.09 -0.01 0.06 -0.12 -0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 0.00 -0.01 -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 -0.04 -0.02 0.02 -0.00 0.00 0.00 0.01 0.02 -0.00 0.00 0.00 0.01 -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 0.01 -0.00 -0.00 -0.00 0.00 0.17 0.05 -0.12 -0.15 -0.09 0.08 0.01 0.02 -0.00 -0.01 0.00 0.01 -0.03 -0.01 -0.00 0.01 -0.01 -0.01 -0.02 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.02 0.01 0.01 0.01 0.00 -0.00 -0.03 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.00 0.01 0.02 0.03 0.00 -0.00 -0.02 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.01 0.02 0.10 0.09 -0.08 0.17 0.12 -0.08 0.32 -0.11 -0.40 -0.18 0.40 0.33 -0.04 0.33 0.38 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 0.02 -0.03 -0.06 0.01 0.07 -0.07 0.18 0.00 0.05 -0.03 0.03 0.01 -0.15 0.01 0.03 0.01 -0.03 0.10 -0.06 0.02 -0.03 0.01 -0.08 -0.04 0.08 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.09 0.03 0.02 -0.08 0.25 0.14 0.02 0.01 -0.08 0.06 0.05 -0.37 0.01 -0.17 0.18 0.23 -0.01 0.00 0.03 -0.02 0.00 -0.00 -0.01 0.02 0.09 -0.01 0.02 -0.08 0.06 0.04 -0.01 -0.15 0.00 0.14 -0.34 -0.05 0.02 -0.03 -0.09 -0.13 -0.03 0.01 0.10 -0.03 0.17 -0.00 -0.03 0.04 0.09 -0.28 0.18 -0.24 0.33 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.01 -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 -0.01 0.10 0.17 -0.03 0.03 -0.03 0.06 -0.01 -0.14 0.08 0.01 0.01 -0.05 -0.03 -0.10 -0.05 -0.01 0.04 -0.02 -0.07 0.10 -0.03 -0.03 -0.02 0.02 -0.02 -0.01 0.01 0.02 0.01 -0.01 0.05 0.24 -0.08 0.03 -0.03 0.08 -0.39 -0.08 -0.03 0.22 -0.16 -0.13 -0.11 0.01 -0.05 0.05 0.07 -0.01 -0.00 -0.10 0.07 0.00 0.04 0.04 -0.07 -0.31 0.04 0.01 -0.04 0.03 0.02 -0.00 -0.06 0.01 0.05 -0.12 0.16 -0.06 0.07 0.25 0.39 0.08 -0.04 -0.29 0.09 0.06 -0.01 -0.00 0.01 0.03 -0.09 0.06 -0.07 0.10 -0.01 -0.00 0.01 -0.02 -0.02 0.01 -0.03 0.01 0.04 0.02 -0.04 -0.04 0.00 -0.03 -0.04 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.17 -0.08 -0.07 -0.01 -0.01 -0.00 -0.12 0.08 0.10 0.01 0.01 0.00 -0.11 0.02 0.03 0.01 0.00 0.00 0.07 -0.03 -0.05 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.01 0.17 0.13 -0.18 -0.02 -0.01 -0.01 -0.34 0.04 0.06 -0.05 -0.03 -0.06 0.02 0.01 0.01 0.01 -0.00 -0.00 -0.07 -0.43 -0.03 0.27 0.16 -0.14 0.28 0.18 0.02 -0.01 -0.00 -0.02 0.00 -0.02 0.03 -0.02 0.01 -0.01 -0.24 -0.24 -0.04 -0.19 -0.04 0.11 0.08 0.28 0.13 0.02 -0.01 0.02 -0.01 0.02 -0.02 0.01 0.00 0.01 0.04 0.04 0.01 -0.02 -0.03 0.02 -0.01 0.01 -0.02 0.02 -0.00 -0.03 -0.03 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 0.01 -0.01 -0.01 0.16 0.12 0.01 -0.01 0.01 0.01 -0.10 -0.13 -0.02 -0.01 0.00 0.00 -0.11 -0.04 -0.02 0.01 -0.00 -0.00 0.06 0.07 0.02 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.02 -0.02 0.07 0.09 0.29 -0.03 0.00 0.00 -0.01 -0.00 -0.01 -0.29 -0.11 -0.09 -0.07 0.04 -0.01 -0.01 -0.04 0.00 0.02 0.01 -0.01 0.03 0.02 0.00 0.21 0.05 0.30 -0.01 0.24 -0.37 0.26 -0.08 0.21 -0.02 -0.02 -0.00 -0.01 -0.00 0.01 0.01 0.02 0.01 -0.20 0.12 -0.22 0.07 -0.24 0.19 -0.14 -0.07 -0.16 -0.02 -0.02 -0.00 0.01 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.02 0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 0.03 -0.04 0.04 -0.01 -0.00 -0.08 -0.02 0.01 0.01 0.01 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.10 0.09 -0.11 0.07 -0.06 0.08 0.02 -0.05 0.05 -0.02 0.00 0.04 0.04 0.00 -0.01 0.01 0.01 0.01 -0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.04 -0.00 -0.03 -0.02 0.01 -0.03 -0.01 -0.00 0.02 0.01 0.02 -0.00 0.01 -0.02 0.02 -0.00 0.02 0.02 0.02 0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.01 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.41 0.34 0.02 -0.22 -0.36 0.19 -0.14 0.10 -0.20 0.19 0.01 -0.37 -0.33 0.12 0.25 -0.00 0.00 0.01 0.00 0.01 0.01 -0.04 0.00 -0.26 0.04 -0.05 0.04 0.06 0.03 0.46 0.07 -0.01 0.01 -0.02 0.00 -0.01 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.03 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.00 0.01 0.00 0.01 -0.00 -0.07 0.06 -0.07 0.05 -0.03 0.08 -0.23 0.25 -0.21 0.15 0.01 -0.14 -0.04 -0.07 0.01 -0.06 -0.01 0.00 0.01 -0.01 0.02 0.02 -0.01 0.02 -0.01 -0.08 0.04 0.06 0.07 -0.02 0.08 -0.02 0.02 -0.04 -0.00 -0.05 0.01 0.02 0.00 -0.05 -0.01 -0.02 -0.01 0.04 -0.01 -0.01 -0.04 -0.02 -0.00 0.01 -0.03 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.23 0.07 -0.10 -0.16 -0.30 0.11 -0.10 0.09 -0.18 0.14 0.02 -0.30 -0.21 0.04 0.15 -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 -0.01 -0.01 0.00 -0.01 -0.06 0.01 0.03 -0.00 -0.00 0.01 0.03 -0.06 -0.05 0.00 -0.00 0.00 0.02 -0.03 -0.01 -0.00 0.00 -0.01 -0.03 0.06 0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 0.09 -0.06 0.06 0.61 0.04 -0.38 0.03 0.05 -0.00 -0.02 -0.03 -0.01 0.12 -0.18 0.34 -0.12 0.17 -0.22 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.02 0.05 -0.09 -0.02 0.05 0.02 -0.03 -0.04 0.10 -0.00 -0.04 0.00 0.00 0.03 0.02 0.00 0.00 0.02 0.01 0.14 -0.22 0.08 -0.13 -0.07 0.02 -0.22 0.11 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 0.00 0.03 -0.05 0.02 -0.03 0.01 -0.00 -0.00 0.00 -0.01 0.08 -0.00 0.01 0.01 0.02 0.00 0.02 -0.00 0.00 0.00 -0.00 0.01 -0.09 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.50 -0.36 0.32 -0.08 -0.00 0.04 0.22 0.38 -0.00 -0.17 -0.27 -0.05 -0.03 0.03 -0.06 0.03 -0.03 0.05 0.00 0.02 -0.03 -0.04 -0.07 0.01 -0.02 0.08 -0.02 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.02 -0.03 -0.25 0.00 0.02 0.22 0.12 0.03 0.00 0.17 -0.00 -0.02 0.04 -0.01 0.02 0.01 -0.00 0.04 -0.02 0.00 -0.02 -0.02 -0.00 0.00 0.01 -0.00 0.00 -0.01 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 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.03 -0.10 0.00 -0.00 0.00 -0.03 -0.01 -0.04 0.00 0.00 -0.00 0.01 0.07 0.04 -0.00 0.00 -0.00 0.00 0.04 0.03 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.03 -0.01 0.01 -0.15 0.71 0.03 0.02 -0.00 -0.03 -0.02 -0.00 0.32 -0.13 0.38 -0.05 0.04 -0.07 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 -0.05 -0.18 0.06 0.07 -0.19 0.07 -0.03 0.09 -0.15 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 -0.02 0.07 -0.08 0.05 -0.13 0.02 -0.02 -0.12 0.02 0.00 -0.06 -0.05 -0.01 0.07 0.05 -0.00 0.00 -0.01 0.01 -0.00 -0.02 -0.02 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.03 0.02 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 -0.00 -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 0.00 0.01 -0.04 0.03 -0.05 -0.01 0.01 -0.00 0.01 -0.02 0.08 0.03 0.02 -0.00 -0.02 -0.02 -0.00 0.03 -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 -0.01 -0.02 0.00 0.01 -0.02 0.01 -0.01 0.01 -0.02 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.02 0.56 0.40 0.05 -0.52 -0.38 0.06 -0.04 0.07 -0.10 0.00 0.18 0.15 -0.04 -0.13 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.06 0.08 0.01 -0.00 0.01 -0.02 -0.02 0.01 0.01 0.00 0.01 0.01 -0.01 -0.06 -0.00 -0.01 -0.00 0.01 0.01 -0.05 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.09 0.61 -0.27 -0.08 0.01 -0.07 0.44 0.32 -0.00 -0.23 -0.19 -0.01 0.01 0.00 0.00 -0.08 0.03 -0.09 0.05 0.09 0.15 -0.04 0.13 0.08 -0.00 -0.13 0.00 0.01 0.02 0.00 -0.00 0.01 -0.02 0.02 -0.01 0.01 -0.01 -0.12 -0.01 -0.01 0.11 0.07 0.03 0.03 0.10 0.01 0.01 -0.02 -0.00 0.02 -0.03 0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 0.03 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.07 0.02 0.01 -0.02 -0.01 0.00 -0.04 -0.01 -0.04 0.01 -0.01 -0.01 0.03 0.01 -0.00 0.01 -0.01 -0.00 0.04 -0.00 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.08 0.15 -0.05 0.52 -0.02 0.15 0.06 0.06 0.00 0.07 0.05 -0.00 -0.16 0.00 -0.11 0.49 -0.15 0.51 0.01 0.04 0.02 -0.01 0.04 0.02 -0.02 -0.03 -0.01 -0.02 -0.04 -0.02 -0.02 -0.01 0.11 -0.08 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.00 0.02 0.01 0.04 0.02 -0.07 -0.06 0.12 -0.01 -0.06 0.14 -0.02 0.03 -0.09 -0.00 -0.01 -0.00 -0.00 0.02 0.01 -0.00 -0.00 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 0.00 0.01 -0.07 -0.01 -0.02 0.01 -0.01 -0.00 -0.07 -0.03 0.02 0.01 0.00 0.01 0.03 -0.02 -0.02 -0.00 -0.00 0.00 0.04 -0.03 0.02 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.53 0.26 0.00 -0.10 0.00 -0.01 -0.02 0.05 0.01 0.58 0.41 -0.01 0.04 -0.00 0.03 -0.09 0.03 -0.10 0.02 0.14 0.00 -0.04 0.06 0.07 -0.08 -0.03 -0.04 0.00 0.00 0.00 0.01 -0.00 -0.02 0.02 -0.00 -0.01 -0.04 0.12 -0.04 -0.05 -0.05 0.05 0.03 0.18 0.00 0.01 0.01 -0.02 0.00 0.01 -0.03 0.00 -0.01 0.02 0.00 0.01 0.00 0.00 -0.02 -0.02 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 0.06 -0.04 0.08 -0.01 -0.00 -0.00 -0.11 0.05 -0.10 -0.00 -0.00 0.00 -0.01 -0.01 -0.03 0.00 0.00 -0.00 0.03 0.03 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 0.00 -0.40 0.04 -0.35 0.03 0.02 -0.00 0.01 0.01 0.00 0.46 -0.10 0.45 0.26 -0.13 0.29 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.05 0.07 0.02 -0.03 0.01 0.01 0.06 -0.02 0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.10 -0.01 0.09 0.00 -0.10 0.15 0.02 -0.14 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.03 0.01 0.00 0.00 0.01 -0.03 -0.03 -0.00 0.00 -0.00 0.00 0.04 0.04 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.02 -0.06 -0.06 0.06 -0.00 -0.05 0.20 0.12 -0.02 -0.01 0.00 -0.01 -0.21 -0.13 0.01 -0.10 -0.09 -0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 0.01 0.02 -0.03 0.02 0.03 -0.02 -0.00 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 0.02 -0.03 0.03 -0.00 -0.04 -0.04 -0.01 -0.06 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.12 0.39 0.28 -0.04 0.38 0.36 -0.26 0.03 0.27 -0.04 0.05 0.27 -0.22 0.17 0.11 -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 0.07 0.07 -0.00 -0.00 0.00 -0.00 -0.10 -0.08 -0.02 0.00 -0.00 0.00 -0.02 -0.01 0.02 -0.00 0.00 0.00 0.03 -0.02 -0.01 -0.00 -0.00 0.00 0.01 -0.03 -0.03 0.03 -0.00 -0.03 -0.44 -0.31 0.06 0.01 -0.00 0.01 0.46 0.29 -0.02 0.25 0.22 0.02 -0.02 0.00 -0.02 -0.01 0.00 -0.01 -0.03 -0.03 -0.04 0.06 -0.06 -0.07 0.06 0.02 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.06 0.08 -0.06 -0.00 0.08 0.10 0.03 0.14 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 -0.00 -0.06 0.18 0.13 -0.02 0.18 0.17 -0.13 0.01 0.14 -0.02 0.03 0.14 -0.11 0.09 0.06 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 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.02 -0.03 0.01 0.02 0.00 0.01 -0.03 0.04 0.02 -0.05 -0.05 -0.05 0.07 0.08 -0.01 -0.01 0.00 0.01 -0.00 -0.02 0.02 0.01 -0.00 0.02 0.01 -0.00 0.02 0.00 0.00 0.02 0.01 0.02 -0.00 0.01 -0.00 0.01 0.01 0.00 0.00 0.01 -0.01 0.06 -0.10 0.09 -0.04 -0.09 0.12 0.00 -0.01 0.15 -0.04 -0.06 0.01 -0.05 -0.05 -0.03 0.00 -0.07 -0.02 -0.06 0.04 -0.18 0.03 0.16 -0.14 -0.12 0.12 -0.11 -0.06 0.28 0.19 -0.01 0.28 0.23 0.33 0.01 -0.25 0.04 -0.28 -0.32 0.15 -0.30 -0.22 -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 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.02 0.00 -0.00 0.04 -0.07 0.03 0.05 0.01 0.02 -0.04 0.05 -0.01 0.02 0.02 0.02 -0.03 -0.04 0.00 -0.01 0.01 -0.01 -0.00 -0.03 0.03 0.01 0.00 0.04 0.01 -0.01 0.04 0.01 0.00 0.02 0.02 0.02 -0.01 0.09 0.00 0.04 0.08 0.04 0.02 0.09 -0.05 0.13 -0.24 0.21 -0.08 -0.21 0.26 0.00 -0.03 0.35 -0.14 -0.19 0.05 -0.15 -0.16 -0.09 0.01 -0.24 -0.06 -0.07 0.05 -0.25 0.04 0.21 -0.18 -0.16 0.17 -0.14 0.03 -0.13 -0.09 0.01 -0.13 -0.11 -0.16 -0.00 0.12 -0.02 0.14 0.16 -0.07 0.14 0.10 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.00 -0.00 0.03 -0.05 -0.05 -0.10 -0.02 0.01 -0.02 0.03 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.02 0.02 -0.01 -0.00 -0.00 -0.02 -0.08 -0.03 0.00 -0.08 -0.04 0.01 0.02 0.00 0.00 0.02 0.01 0.01 0.01 -0.13 -0.01 -0.05 -0.11 -0.06 -0.02 -0.12 0.07 0.08 -0.15 0.13 -0.05 -0.13 0.17 0.00 -0.02 0.23 0.27 0.38 -0.10 0.30 0.32 0.18 -0.03 0.47 0.11 -0.04 0.03 -0.14 0.02 0.12 -0.10 -0.09 0.10 -0.08 0.00 -0.03 -0.02 0.00 -0.03 -0.02 -0.04 0.00 0.03 -0.00 0.03 0.04 -0.02 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 0.02 -0.01 0.02 0.00 -0.00 0.00 -0.01 0.04 -0.08 0.00 0.00 0.00 -0.04 0.05 -0.08 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.01 -0.00 0.00 -0.01 0.01 -0.02 0.00 0.00 0.00 0.01 0.00 -0.00 -0.06 0.02 -0.08 -0.08 0.04 -0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.15 -0.24 0.23 -0.09 -0.22 0.27 0.03 -0.03 0.38 -0.01 -0.02 0.00 -0.01 -0.01 -0.01 0.00 -0.02 -0.01 0.16 -0.08 0.38 -0.06 -0.31 0.26 0.27 -0.24 0.24 -0.01 0.04 0.03 -0.00 0.04 0.03 0.03 0.00 -0.03 0.00 -0.03 -0.03 0.02 -0.04 -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 0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.03 -0.13 0.01 -0.00 -0.00 0.00 -0.02 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.06 0.02 -0.00 -0.00 0.00 -0.03 -0.06 0.01 -0.06 -0.06 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.07 0.49 0.03 0.23 0.45 0.21 0.15 0.50 -0.25 -0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 0.11 0.12 -0.03 0.12 0.11 0.04 -0.02 0.14 0.03 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.02 0.01 0.02 -0.02 0.03 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.10 -0.02 0.08 -0.02 -0.12 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.02 0.00 -0.00 0.03 0.10 0.01 -0.01 -0.07 0.05 0.12 0.00 -0.04 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.07 0.01 -0.02 0.01 -0.04 -0.01 -0.01 0.05 -0.01 -0.06 0.02 0.05 0.02 0.02 0.00 -0.46 0.26 -0.38 0.03 0.50 0.09 0.08 -0.39 -0.26 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.03 -0.04 0.02 0.00 -0.00 -0.00 0.03 0.00 0.01 0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.02 0.00 -0.02 0.02 -0.03 0.02 0.01 -0.02 -0.03 0.37 0.08 -0.30 0.07 0.47 0.05 0.00 -0.03 0.00 -0.02 0.01 0.02 -0.03 0.02 -0.01 -0.12 -0.32 -0.03 0.04 0.23 -0.18 -0.39 -0.00 0.11 -0.01 0.01 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.18 -0.03 0.08 -0.02 0.10 -0.02 -0.01 -0.17 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.00 -0.13 0.07 -0.11 0.01 0.14 0.03 0.02 -0.11 -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 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.05 -0.01 -0.00 -0.00 0.00 -0.03 -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 0.02 -0.00 -0.00 -0.00 -0.00 -0.29 0.38 -0.22 -0.16 0.26 0.42 0.03 0.01 -0.02 0.00 0.04 0.00 -0.02 0.28 0.12 0.15 -0.16 -0.23 0.36 -0.12 0.14 -0.00 -0.02 0.00 -0.00 0.02 -0.01 -0.03 0.00 0.00 0.14 -0.12 0.07 0.05 -0.10 -0.14 0.01 0.08 0.06 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.02 0.00 0.03 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 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.00 -0.00 0.00 0.00 -0.02 -0.03 0.02 -0.00 0.00 0.00 -0.03 -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 0.06 -0.02 0.02 0.02 -0.03 0.02 0.01 -0.02 -0.03 0.31 0.08 -0.28 0.07 0.42 0.05 -0.01 0.03 -0.02 0.04 -0.01 -0.04 0.02 -0.03 0.02 0.16 0.43 0.04 -0.06 -0.25 0.23 0.46 0.01 -0.19 0.00 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.01 0.01 -0.11 -0.02 0.06 -0.00 0.07 -0.04 -0.02 -0.11 -0.02 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 0.02 0.00 0.00 -0.01 0.01 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.01 0.00 0.00 0.00 -0.00 -0.01 0.04 0.01 0.00 0.00 -0.00 -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.06 0.01 0.02 -0.01 0.00 -0.00 0.21 -0.31 0.16 0.14 -0.20 -0.32 -0.02 -0.01 0.02 -0.01 -0.03 -0.00 -0.03 0.36 0.11 0.22 -0.23 -0.33 0.44 -0.21 0.20 -0.01 -0.04 0.00 -0.00 0.03 -0.02 -0.05 -0.00 0.01 -0.04 0.07 -0.03 -0.06 0.04 0.08 -0.00 -0.07 0.01 0.03 0.00 0.00 0.01 -0.02 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.00 0.00 -0.02 0.01 -0.04 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.00 -0.00 0.00 0.00 0.05 -0.06 0.02 0.03 0.02 -0.04 -0.02 -0.01 0.01 -0.01 -0.02 -0.01 -0.06 0.02 -0.31 0.19 0.08 -0.06 -0.19 -0.09 0.02 -0.03 -0.02 -0.02 0.02 -0.02 -0.03 0.00 -0.00 0.03 0.50 0.04 0.07 -0.33 -0.21 -0.05 0.07 -0.05 0.60 -0.06 0.00 -0.02 -0.03 0.06 0.04 0.04 -0.01 0.03 -0.02 -0.00 0.00 -0.00 -0.01 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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 -0.01 -0.00 -0.00 0.00 -0.01 -0.03 0.02 0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.03 0.00 -0.03 0.00 -0.00 -0.00 0.00 0.01 0.00 0.09 0.04 -0.09 0.04 0.07 0.07 -0.00 -0.02 -0.03 0.00 0.01 0.01 -0.03 0.00 -0.01 0.04 -0.00 0.04 -0.04 0.09 0.04 -0.07 0.00 -0.04 0.07 0.01 0.01 -0.04 -0.03 -0.01 0.01 -0.01 0.08 0.51 -0.01 0.19 0.29 -0.48 -0.37 -0.32 0.09 -0.28 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.02 0.00 -0.01 -0.01 0.01 0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.04 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 -0.04 -0.08 0.01 0.01 -0.00 0.00 -0.01 -0.05 0.00 0.05 0.04 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.12 -0.13 0.58 -0.43 -0.13 0.18 0.30 0.23 -0.07 0.05 0.03 0.04 -0.04 0.04 0.05 -0.02 0.00 -0.04 0.18 0.11 -0.01 -0.23 -0.07 0.07 0.04 -0.09 0.30 -0.02 0.00 -0.02 -0.01 0.02 0.02 0.02 0.00 0.01 -0.03 -0.00 0.00 -0.01 -0.02 0.02 -0.01 -0.00 0.01 0.01 0.02 -0.02 0.03 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 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 -0.03 -0.04 -0.02 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.02 -0.01 0.01 0.01 -0.01 -0.02 -0.02 -0.00 0.02 -0.01 -0.03 -0.01 -0.00 0.00 -0.02 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.01 0.01 -0.01 0.02 0.01 -0.03 0.00 -0.00 -0.00 -0.05 0.02 0.06 -0.01 -0.05 -0.01 0.04 -0.04 -0.04 -0.01 0.02 0.01 0.02 -0.02 -0.02 -0.05 -0.01 -0.42 -0.02 0.01 -0.10 -0.26 0.33 -0.09 -0.05 0.25 0.10 0.28 -0.37 0.51 0.19 0.10 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 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 -0.03 -0.02 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.03 -0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.01 0.02 -0.01 0.01 0.02 -0.01 -0.02 0.18 -0.00 -0.06 0.05 0.17 0.05 -0.00 -0.00 -0.02 0.01 0.00 -0.00 -0.02 -0.01 0.00 0.10 0.03 0.09 -0.09 0.16 0.10 -0.11 0.01 -0.10 0.04 -0.07 0.03 0.06 -0.03 -0.07 -0.01 0.06 -0.01 0.34 0.12 -0.37 -0.13 -0.13 0.33 0.26 0.53 0.21 -0.03 -0.00 0.00 -0.01 -0.02 0.03 -0.00 -0.00 0.01 0.00 0.01 -0.02 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 0.04 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.04 -0.02 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.00 0.00 -0.00 -0.16 0.10 -0.09 -0.12 0.05 0.17 0.03 -0.00 -0.01 0.01 0.03 0.01 -0.02 0.05 -0.10 0.09 0.03 -0.04 -0.04 -0.04 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.29 0.42 -0.22 -0.37 0.22 0.47 0.03 -0.36 0.05 0.06 0.02 -0.06 -0.02 -0.02 0.05 0.04 0.08 0.03 -0.02 0.00 0.00 -0.01 -0.01 0.02 -0.01 -0.01 0.04 0.01 0.04 -0.05 0.07 0.03 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 -0.01 -0.02 0.00 -0.00 -0.00 0.02 0.01 0.00 0.00 -0.00 0.01 0.02 -0.04 -0.02 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 -0.03 0.06 -0.01 0.01 -0.00 -0.01 0.00 0.01 -0.07 -0.02 0.07 -0.06 -0.08 -0.07 -0.02 0.01 -0.08 0.05 0.02 -0.02 -0.05 -0.03 0.00 0.35 0.11 0.33 -0.31 0.46 0.38 -0.29 0.03 -0.30 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.17 -0.03 0.07 -0.00 0.10 -0.05 -0.03 -0.17 -0.02 0.04 0.00 0.00 0.01 0.03 -0.03 -0.00 0.00 -0.01 -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 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.05 -0.04 0.02 -0.02 -0.02 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 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.02 -0.01 0.01 -0.00 0.01 0.02 -0.02 0.01 0.02 -0.01 -0.02 -0.00 0.02 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.01 0.01 0.01 0.53 0.13 0.07 0.10 0.44 -0.34 -0.11 -0.03 0.20 0.08 0.24 -0.29 0.40 0.14 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 -0.04 -0.05 0.03 -0.00 0.00 -0.00 0.01 0.01 -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 -0.06 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.02 0.60 0.19 0.49 -0.06 -0.49 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.18 0.06 0.15 0.09 0.03 0.04 -0.00 -0.15 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.07 -0.03 -0.03 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.04 -0.05 -0.01 -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 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.04 -0.00 -0.00 -0.00 -0.12 0.19 0.61 -0.32 0.44 -0.45 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.09 -0.00 0.02 0.10 -0.10 0.15 0.03 -0.05 -0.12 -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 0.01 0.08 -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 -0.01 -0.02 0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.24 0.08 0.12 -0.02 -0.12 -0.02 -0.00 0.00 0.02 -0.02 0.04 0.01 -0.01 -0.03 0.53 -0.19 -0.45 -0.30 -0.09 -0.13 0.00 0.50 0.08 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.03 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -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 -0.01 0.01 0.02 0.00 0.00 0.00 0.05 -0.07 -0.21 0.06 -0.09 0.09 0.00 -0.02 -0.01 -0.01 0.00 0.01 -0.38 -0.02 0.07 0.36 -0.35 0.51 0.10 -0.21 -0.46 -0.03 0.01 0.03 0.02 0.01 0.01 -0.00 -0.03 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.03 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 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.04 0.02 -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 0.01 0.00 -0.00 0.00 0.00 -0.16 -0.05 0.09 -0.01 -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 -0.01 -0.00 -0.00 0.00 0.02 0.00 0.01 -0.01 -0.04 0.01 -0.02 0.02 -0.03 0.00 0.00 -0.04 0.67 0.22 -0.46 -0.15 -0.20 0.29 -0.03 -0.31 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 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 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -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 0.01 0.00 0.00 0.00 0.03 -0.04 -0.12 -0.04 0.05 -0.05 0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.14 0.21 0.64 -0.19 0.29 -0.30 0.53 -0.00 -0.08 -0.00 0.04 0.01 -0.03 -0.01 -0.01 0.02 -0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.03 -0.03 -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 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.03 0.03 -0.03 0.00 -0.01 0.23 0.62 0.16 -0.55 0.03 -0.15 0.05 -0.28 0.36 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.00 0.00 -0.00 0.00 0.04 -0.05 -0.05 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.32 -0.04 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.60 0.18 -0.45 0.03 0.45 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 0.01 0.03 0.04 0.01 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 0.03 0.01 -0.14 -0.04 -0.06 0.16 -0.01 -0.16 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 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.01 0.02 -0.08 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 0.04 -0.08 -0.15 -0.00 -0.00 -0.00 -0.14 0.22 0.62 0.31 -0.42 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 -0.00 0.01 0.02 -0.02 0.03 0.01 -0.02 -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.02 -0.10 0.15 -0.15 0.13 -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 -0.07 -0.01 0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.25 -0.35 0.85 -0.09 0.22 -0.03 -0.07 -0.01 -0.13 0.01 -0.04 0.01 -0.02 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 -0.07 -0.01 -0.00 0.00 0.00 0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.03 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 0.04 0.86 0.12 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.23 0.07 -0.11 0.01 0.10 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.15 -0.05 -0.12 0.01 0.01 0.01 -0.01 -0.30 -0.04 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.06 -0.02 -0.09 -0.02 -0.04 0.07 -0.00 -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 0.00 -0.00 -0.00 0.02 -0.03 -0.05 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.06 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.18 0.33 0.66 0.00 0.00 0.00 -0.02 0.03 0.09 0.02 -0.02 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.01 0.03 -0.19 0.19 -0.26 0.10 -0.21 -0.43 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.03 -0.08 -0.03 0.04 -0.03 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 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 -0.06 -0.03 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 0.01 0.31 0.04 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.04 0.01 -0.04 0.00 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.41 0.13 0.35 -0.17 -0.07 -0.09 0.02 0.68 0.09 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.17 -0.05 -0.15 -0.04 -0.06 0.07 -0.00 -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 0.01 -0.01 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.02 0.00 -0.04 0.00 -0.00 -0.00 -0.05 0.00 0.06 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.07 0.14 0.26 0.00 0.01 0.00 0.01 -0.02 -0.07 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.19 0.01 -0.05 0.18 -0.18 0.25 -0.08 0.16 0.31 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.10 -0.17 -0.51 -0.08 0.11 -0.10 0.52 0.00 -0.06 -0.00 0.02 0.01 0.02 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.04 -0.06 -0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.15 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.18 0.05 -0.05 0.00 0.05 -0.01 -0.00 0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.09 0.03 0.08 -0.05 -0.02 -0.03 0.00 0.14 0.02 -0.00 0.01 0.02 0.00 -0.01 0.00 -0.02 -0.00 0.00 -0.05 0.61 0.19 0.60 0.17 0.25 -0.11 -0.01 0.10 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.02 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 -0.01 0.02 0.04 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 0.00 0.00 0.03 -0.00 0.04 -0.00 -0.00 -0.00 -0.04 0.01 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.12 -0.22 -0.44 0.00 -0.00 -0.00 0.04 -0.06 -0.16 -0.04 0.05 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.27 -0.02 0.06 -0.19 0.19 -0.27 0.07 -0.15 -0.30 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.06 -0.12 -0.35 -0.00 -0.01 0.02 0.47 0.00 -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 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.03 0.05 -0.06 -0.02 -0.03 -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 -0.01 -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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.05 0.37 -0.52 -0.18 0.02 -0.04 0.12 0.38 0.10 0.56 -0.04 0.15 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 0.02 -0.04 -0.04 -0.06 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 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.27 0.39 0.34 -0.03 0.08 0.18 0.52 0.14 0.35 -0.04 0.10 -0.05 0.25 -0.34 0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.06 -0.04 0.06 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.04 -0.07 0.00 -0.00 -0.00 0.02 -0.03 -0.08 -0.07 0.10 -0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.00 0.01 -0.03 0.03 -0.04 0.01 -0.02 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.06 -0.09 -0.23 -0.34 0.55 -0.54 -0.41 -0.01 0.07 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 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 0.08 -0.01 -0.04 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.06 0.02 -0.09 0.01 0.10 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.01 0.02 0.00 0.00 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 0.21 0.06 -0.38 -0.12 -0.18 -0.58 0.05 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 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.02 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 -0.09 -0.16 -0.00 -0.00 -0.00 0.01 -0.01 -0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.83 0.06 -0.15 0.04 -0.05 0.09 0.08 -0.20 -0.42 -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 0.02 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 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.08 -0.04 -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 0.08 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 0.11 -0.05 -0.11 0.80 0.23 0.37 -0.00 0.36 0.05 0.00 -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 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 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 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -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 -0.03 -0.03 0.05 -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 0.03 0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.03 -0.23 0.33 0.20 -0.02 0.04 -0.06 -0.15 -0.05 0.40 -0.02 0.10 0.06 -0.45 0.61 16 16 15 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 16 16 15 8 8 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.97207 31.97207 30.97376 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 270.08771 2894.70904 6855.42367 8262.92253 0.99998 -0.00454 0.00315 0.00456 0.99997 -0.00598 -0.00312 0.00599 0.99998 asymmetric 1 0.02992 0.01263 0.01048 0.62346 0.26326 0.21841 853372.0 22.11 38.07 39.51 46.48 82.13 100.76 139.01 152.72 162.05 185.43 215.16 230.72 291.88 302.47 338.31 345.49 353.29 361.22 377.00 391.16 410.91 475.50 487.70 511.42 512.17 576.90 603.37 659.00 667.46 669.47 764.96 821.62 861.92 867.17 1063.42 1164.02 1165.75 1185.71 1226.64 1227.60 1323.50 1407.69 1409.71 1466.32 1468.53 1477.91 1485.15 1486.98 1582.17 1587.53 1602.74 1610.91 1611.82 1692.72 1695.23 1705.21 1733.56 1816.11 1826.31 1888.56 1891.40 1906.27 1916.23 1922.91 1993.44 2001.94 2002.94 2041.83 2042.61 2042.83 2044.88 2048.45 2134.69 2136.53 2137.64 2149.89 2151.87 2155.46 2155.72 2161.36 2164.11 2167.87 2168.91 2172.18 2182.14 4327.01 4329.39 4341.44 4345.08 4352.69 4353.22 4358.88 4367.21 4370.67 4377.88 4397.94 4421.15 4433.94 4441.04 4442.00 4445.98 4450.38 4456.66 4460.72 4465.02 4477.31 4493.54 4494.63 0.325032 0.346264 0.347209 0.272228 -1683.137441 -1683.116209 -1683.115265 -1683.190246 217.284 74.712 157.811 0.000 0.000 0.000 0.889 2.981 42.680 0.889 2.981 33.461 215.507 68.750 81.671 1 0.593 1.986 7.158 2 0.593 1.985 6.079 3 0.593 1.984 6.005 4 0.594 1.983 5.683 5 0.596 1.975 4.556 6 0.598 1.968 4.152 7 0.603 1.952 3.521 8 0.605 1.944 3.338 9 0.607 1.939 3.223 10 0.611 1.924 2.963 11 0.618 1.903 2.678 12 0.622 1.891 2.546 13 0.639 1.836 2.107 14 0.642 1.825 2.042 15 0.655 1.787 1.839 16 0.657 1.779 1.802 17 0.660 1.770 1.762 18 0.663 1.761 1.723 19 0.669 1.742 1.648 20 0.675 1.725 1.584 21 0.683 1.700 1.500 22 0.713 1.615 1.258 23 0.719 1.598 1.217 24 0.731 1.564 1.142 25 0.731 1.563 1.140 26 0.767 1.468 0.959 27 0.782 1.428 0.894 28 0.816 1.343 0.772 29 0.821 1.330 0.755 30 0.823 1.327 0.751 31 0.887 1.180 0.583 32 0.927 1.094 0.502 33 0.957 1.034 0.451 34 0.961 1.026 0.445 0.194298e+25 24.288469 55.926267 0.242955e+10 9.385526 21.610972 0.100000e+01 0.000000 0.000000 0.174466e+09 8.241711 18.977241 0.458387e+07 6.661232 15.338054 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -0.1237 0.6149 0.2468 0.6741 -104.7977 -110.3959 -125.2654 -1.3681 -1.2434 -1.2749 8.6886 3.0905 -11.7791 -1.3681 -1.2434 -1.2749 -0.4052 38.5343 -1.6051 1.4161 -14.1711 9.8627 -1.6769 0.6048 2.2495 -2.5671 -4868.6023 -1771.9142 -753.4797 -15.6126 -1.3830 -4.5700 -5.5971 -2.0465 -7.4277 -1151.7823 -964.3509 -432.9701 2.0737 4.2109 -3.4881 (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)|(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)|(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)|(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)|(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) 0 1-A -1683.4624733 2.403E-9 5.76E-6 0.3250322 0.3462644 -1683.1162089 -1683.1152647 -1683.1902458 6.3094982,1.8933995,-8.2028977,1.1832785,1.8507449,-2.1146358 C01 [X(C10H23O2P1S2)] -0.1539413 0.2092727 0.0532764 -0.9751221 -0.0671217 -0.0350146 -0.1064288 -0.3118201 0.027431 0.0492154 0.1247227 -0.182529 -0.5769055 -0.3572341 0.0429298 -0.3217822 -0.6039646 -0.0242903 0.0639317 0.0037138 -0.2187701 2.5665508 -0.0595673 0.0731229 0.453847 2.2697851 -0.0110181 -0.0036504 -0.2148534 1.1292775 -1.0077603 0.5064851 -0.1536918 0.4914434 -1.7137666 0.1589821 -0.2281945 0.2206324 -0.5402672 -0.908291 0.0196415 0.061465 -0.1331248 -0.8463248 -0.1213699 0.103025 -0.1196406 -0.9122641 0.3766802 -0.0073034 0.2564555 -0.1665421 0.1129278 -0.0991241 0.5397469 -0.0880842 0.2164388 0.5209086 0.2672966 -0.1360612 0.0516908 0.0309691 -0.0466913 -0.3418431 -0.2243813 0.2241892 0.0787059 -0.005604 -0.0061625 0.1096259 0.1115279 0.0617328 -0.1809286 0.0018673 0.1055385 0.0320762 -0.0827738 -0.0108648 0.0075281 0.1350566 -0.0040031 0.1752897 0.1096639 0.0752527 -0.024503 -0.0602901 -0.0347234 -0.0558611 -0.0553583 0.0150887 -0.1236149 0.0752039 0.0750396 -0.0682063 -0.1337437 -0.037135 -0.0543654 0.0736383 -0.0340378 -0.0661747 0.0098306 -0.074932 0.0558863 -0.0289576 -0.0158574 -0.0065151 -0.0259125 0.013066 0.0189486 0.0214578 0.0904994 0.0578248 -0.001747 -0.0311947 -0.0318893 0.0831941 0.0163115 -0.0283585 0.0224169 -0.0160093 0.3681996 -0.1764541 -0.0446234 -0.4037911 1.027158 -0.0470989 -0.074338 0.1718731 0.321881 -0.019689 0.0815041 0.0826102 0.0731501 0.0041647 0.0328143 0.0850211 -0.0252129 -0.0456224 0.0168961 0.0226765 -0.0061225 0.052374 -0.0091261 -0.0050155 -0.0582867 -0.0152297 -0.0454152 -0.0557162 0.0236642 0.0166881 0.0309694 -0.0618419 0.0111046 0.0497016 0.0397831 -0.0123568 0.0268703 0.0096832 0.0376946 0.0113782 -0.0251904 -0.0716339 0.1195241 -0.05956 -0.069263 -0.103328 0.0166363 -0.0887501 -0.006986 -0.0160725 0.0456332 -0.1214849 0.0618417 -0.0495571 0.0111067 0.1216796 -0.0157934 0.0568296 -0.093288 0.0006336 -0.0445886 -0.0184846 0.0193959 -0.1451873 -0.0995372 0.0789711 -0.0631147 0.0227555 0.0166764 0.0503874 0.0183068 -0.0600887 -0.0350321 -0.073988 0.0275071 -0.061379 -0.0112322 -0.0020717 0.0395622 -0.0046755 0.0626103 -0.0275379 0.0524193 -0.1092608 0.0631228 0.0258793 0.0348013 -0.139434 0.052783 -0.0777417 0.0246887 0.0472937 0.0509609 0.0149137 0.0256211 -0.0037687 0.1057617 -0.0752187 -0.0468355 -0.1177325 -0.0284954 0.1259235 -0.0112703 0.0602425 0.0308209 0.1271266 0.0630952 -0.0248402 0.0339228 -0.0166265 -0.0711568 -0.0205247 0.0420285 -0.0541131 -0.0606313 -0.0313561 0.0297644 0.0554028 0.0857693 -0.0068081 0.0509312 -0.0986881 0.0400619 0.0153159 -0.0463412 0.0451481 0.033829 0.0552098 0.0956476 0.0099482 0.0124237 -0.0144059 0.068361 -0.0672542 -0.0784433 0.0415623 0.0740159 -0.0732405 0.0597995 0.0299973 0.0170644 -0.0832792 0.0470941 -0.0488951 -0.1561557 -0.1311096 0.0003899 -0.0917148 -0.016914 -0.0047585 -0.0047225 -0.0111244 0.0824901 0.0284793 0.072083 -0.0047426 0.1124849 -0.0968649 0.0078398 0.0238901 -0.0458092 0.0225336 -0.0574033 -0.0993703 -0.1097883 -0.1171325 -0.031475 -0.072815 -0.0924459 -0.0466556 -0.0024085 -0.0204291 -0.0019156 0.1068045 0.0126127 0.0564033 0.0421098 0.0763486 0.0499608 0.0019566 0.0414709 0.0517296 -0.0079624 0.0406131 -0.0658487 0.0438672 0.0013598 0.0777993 -0.0987691 -0.0863067 -0.0619309 -0.0152484 0.0089132 -0.0192388 -0.0041978 -0.0268444 -0.0535435 0.0245871 0.0497759 0.019397 0.0118108 0.0555393 -0.1617958 -0.0315163 0.0277826 -0.0300786 0.0855925 -0.0873039 -0.0341136 -0.0252978 -0.0933838 0.0605154 -0.0339608 -0.0587233 -0.0430084 0.0251067 0.0517729 0.0006994 -0.029481 -0.0219096 0.0804352 0.0698513 -0.0027564 0.0484655 -0.0322936 231.1005482|21.1055478|196.1791257|6.7840682|-3.1813842|163.2554437 -0.000003058 0.000000449 -0.000004160 0.000006436 -0.000003586 -0.000006475 -0.000006472 0.000018488 0.000012615 -0.000001125 -0.000028304 0.000005236 0.000004244 -0.000001218 -0.000019117 0.000014449 -0.000006045 0.000007660 -0.000006971 -0.000006627 0.000013151 -0.000012697 -0.000000599 -0.000001789 0.000003538 0.000008132 0.000000317 -0.000006771 0.000009533 -0.000003035 0.000000026 0.000005370 -0.000011903 0.000002798 0.000000731 -0.000001171 0.000002009 -0.000003492 0.000002359 0.000000424 0.000018959 0.000005001 0.000004632 -0.000009047 -0.000009071 -0.000002259 0.000000503 -0.000000457 -0.000000492 -0.000000144 -0.000001051 0.000002218 -0.000000325 -0.000000590 0.000002901 0.000000349 -0.000000798 0.000001311 -0.000001708 0.000001885 -0.000001968 -0.000004228 0.000000412 0.000000424 -0.000001932 0.000001701 0.000000855 -0.000001550 0.000002289 0.000000976 -0.000000755 0.000001136 -0.000000878 0.000000423 0.000004142 0.000000087 -0.000001252 0.000003781 -0.000000039 -0.000000643 0.000002892 -0.000000904 0.000002073 -0.000000759 0.000001008 0.000001254 -0.000001049 -0.000000240 0.000002720 0.000000081 0.000000659 0.000000674 -0.000000953 -0.000001919 -0.000000584 0.000000534 -0.000001110 -0.000002031 -0.000001042 0.000001592 0.000001698 -0.000002185 -0.000001486 -0.000001808 -0.000000966 -0.000000108 0.000001568 -0.000000096 -0.000000982 0.000001048 -0.000000171 -0.000001108 0.000001907 0.000001645 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.7974,.6366,-.7951;-.7184,-1.5933,-.5533;-.132,.3436,.0141;-1.077,1.2689,-.9196;-.2238,.6395,1.473;2.8276,.2451,.7279;-2.3337,-1.6913,.409;4.1747,.9676,.5954;-3.2912,-2.6178,-.3516;2.9857,-1.2628,.9052;-2.0716,-2.1444,1.8428;4.0946,2.4952,.6518;-3.7909,-2.0618,-1.687;-1.1843,2.6975,-.6437;-2.3197,2.9749,.3241;2.2648,.6639,1.5644;-2.7445,-.6784,.4058;4.6759,.6442,-.3246;4.8005,.6081,1.421;-2.8133,-3.5939,-.4974;-4.1461,-2.7978,.3114;2.0191,-1.7591,1.005;3.5656,-1.4645,1.8122;3.5117,-1.7049,.0548;-3.0155,-2.1625,2.3989;-1.3865,-1.4622,2.3467;-1.6461,-3.1516,1.86;3.6072,2.8247,1.5743;3.5243,2.8984,-.1877;5.0944,2.9362,.6229;-4.3067,-1.1077,-1.5418;-4.4926,-2.7551,-2.1579;-2.9657,-1.8889,-2.3808;-1.3613,3.1521,-1.6192;-.2287,3.0666,-.2601;-2.4277,4.0543,.4677;-3.2608,2.5841,-.0704;-2.1168,2.5101,1.2902; Gaussian 16 4-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C10H23O2PS2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.7974,.6366,-.7951;-.7184,-1.5933,-.5533;-.132,.3436,.0141;-1.077,1.2689,-.9196;-.2238,.6395,1.473;2.8276,.2451,.7279;-2.3337,-1.6913,.409;4.1747,.9676,.5954;-3.2912,-2.6178,-.3516;2.9857,-1.2628,.9052;-2.0716,-2.1444,1.8428;4.0946,2.4952,.6518;-3.7909,-2.0618,-1.687;-1.1843,2.6975,-.6437;-2.3197,2.9749,.3241;2.2648,.6639,1.5644;-2.7445,-.6784,.4058;4.6759,.6442,-.3246;4.8005,.6081,1.421;-2.8133,-3.5939,-.4974;-4.1461,-2.7978,.3114;2.0191,-1.7591,1.005;3.5656,-1.4645,1.8122;3.5117,-1.7049,.0548;-3.0155,-2.1625,2.3989;-1.3865,-1.4622,2.3467;-1.6461,-3.1516,1.86;3.6072,2.8247,1.5743;3.5243,2.8984,-.1877;5.0944,2.9362,.6229;-4.3067,-1.1077,-1.5418;-4.4926,-2.7551,-2.1579;-2.9657,-1.8889,-2.3808;-1.3613,3.1521,-1.6192;-.2287,3.0666,-.2601;-2.4277,4.0543,.4677;-3.2608,2.5841,-.0704;-2.1168,2.5101,1.2902; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Cadusafos CONF769 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 32 32 31 16 16 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 31.9720718 30.9737634 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 13.6000000 12.9400000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 507 A 492 A 492 766 507 73 73 1550.8588425501 38 38 38 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= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0411412373 0.000000 3.370470 0.000000 2.112630 2.101791 0.000000 2.945775 2.907801 1.618988 0.000000 3.037990 3.055487 1.491386 2.616963 0.000000 1.879874 4.194646 3.046020 4.359844 3.165721 0.000000 4.892283 1.882765 3.023914 3.479584 3.319029 5.521719 0.000000 2.773881 5.640954 4.390324 5.474145 4.497225 1.534421 7.033018 0.000000 6.056511 2.776606 4.345583 4.509099 4.831949 6.841091 1.534221 8.336164 0.000000 2.812537 3.994599 3.618645 5.122993 3.773913 1.526455 5.359610 2.546463 6.543320 0.000000 5.446249 2.806495 3.646441 4.502374 3.361757 5.563696 1.526340 7.089258 2.554778 5.218532 0.000000 3.290126 6.429082 4.785405 5.542416 4.771458 2.583450 7.675158 1.530690 9.038766 3.926352 7.808128 0.000000 6.269458 3.308338 4.697601 4.364415 5.477822 7.413349 2.579580 8.822572 1.530397 7.299343 3.927132 9.403057 0.000000 3.627807 4.316982 2.660988 1.458911 3.104506 4.898042 4.657324 5.765992 5.725073 5.955826 5.514902 5.439309 5.525742 0.000000 4.865316 4.919627 3.435984 2.449809 3.341651 5.840363 4.666970 6.802983 5.716485 6.814944 5.345588 6.440610 5.619350 1.517501 0.000000 2.405498 4.298787 2.872437 4.207662 2.490482 1.091714 5.294149 2.163079 6.731280 2.160185 5.173881 2.744921 7.394146 4.572519 5.281814 0.000000 4.878554 2.421206 2.832521 2.886063 3.038040 5.657285 1.093091 7.114857 2.152613 5.781585 2.160383 7.543598 2.718163 3.864209 3.678774 5.313952 0.000000 2.916676 5.844410 4.829174 5.817208 5.219079 2.164136 7.424728 1.096453 8.609054 2.829452 7.615987 2.171956 8.992516 6.217689 7.402156 3.063028 7.572679 0.000000 3.732295 6.261155 5.136006 6.360798 5.024691 2.122385 7.563541 1.096576 8.889522 2.657007 7.414860 2.156617 9.518402 6.666789 7.583040 2.540310 7.720946 1.750424 0.000000 6.264519 2.897267 4.791146 5.180764 5.339441 6.932435 2.161398 8.416305 1.096558 6.405468 2.850924 9.279925 2.172127 6.500517 6.638331 6.940295 3.052993 8.606955 8.905444 0.000000 6.953024 3.734676 5.105870 5.241480 5.343103 7.620037 2.125779 9.137580 1.096733 7.319295 2.660052 9.800059 2.158985 6.315258 6.054701 7.392835 2.542688 9.491045 9.637078 1.750523 0.000000 3.004725 3.154318 3.167076 4.739076 3.317098 2.178752 4.393899 3.499900 5.547710 1.091134 4.193397 4.746701 6.410525 5.730710 6.457533 2.498832 4.921320 3.821277 3.675948 5.382949 6.290497 0.000000 3.786670 4.895378 4.491618 6.040554 4.347638 2.154791 6.068059 2.786968 7.281995 1.095289 5.678143 4.160036 8.168182 6.776093 7.520650 2.506710 6.512591 3.200891 2.444155 7.110474 7.968736 1.769159 0.000000 3.023850 4.275054 4.180282 5.554241 4.632701 2.173376 5.856108 2.806117 6.875907 1.093274 5.879093 4.282174 7.515963 6.474703 7.481917 3.073255 6.349619 2.649098 2.979489 6.624139 7.739693 1.770196 1.774554 0.000000 6.418740 3.783675 4.503585 5.152181 4.062277 6.536837 2.155549 8.046725 2.801484 6.249443 1.095667 8.677575 4.159997 6.019129 5.584022 6.047073 2.499701 8.628619 8.350005 3.237009 2.457550 5.239594 6.643982 6.950460 0.000000 4.940929 2.978896 3.205580 4.268957 2.555866 4.826335 2.168937 6.316495 3.499185 4.608024 1.090306 6.969653 4.734109 5.127045 4.964856 4.297024 2.495218 6.951655 6.589512 3.830029 3.679979 3.672392 4.980830 5.413319 1.773964 0.000000 5.766927 3.018807 4.232778 5.252774 4.067589 5.729984 2.170411 7.242180 2.807614 5.092444 1.093529 8.142589 4.285955 6.379176 6.351915 5.471821 3.072204 7.690807 7.475727 2.667510 2.962075 4.012977 5.478143 5.652845 1.773153 1.777172 0.000000 3.698315 6.538896 4.751011 5.530114 4.411641 2.824716 7.552919 2.174681 8.995474 4.188318 7.550765 1.094176 9.447067 5.281529 6.059262 2.543891 7.347265 3.082663 2.522080 9.312062 9.660358 4.884434 4.296087 4.778690 8.331470 6.626589 7.962148 0.000000 2.909790 6.189464 4.464975 4.935824 4.680670 2.892060 7.465699 2.182710 8.769591 4.335906 7.801735 1.092078 8.964564 4.734853 5.866873 3.106317 7.241781 2.535048 3.076061 9.078048 9.567162 5.037880 4.799665 4.609742 8.664408 7.039439 8.217576 1.765513 0.000000 4.262464 7.462422 5.865727 6.576053 5.854949 3.520138 8.754110 2.172933 10.105120 4.707154 8.868586 1.093069 10.452909 6.409584 7.420226 3.749116 8.634829 2.515149 2.478544 10.316400 10.879423 5.625692 4.808103 4.936308 9.742725 8.019882 9.166523 1.768949 1.767400 0.000000 6.392169 3.753494 4.685609 4.057858 5.367572 7.607813 2.835327 8.989333 2.174435 7.693540 4.186375 9.400733 1.094302 5.003497 4.908823 7.481429 2.533263 9.232393 9.729445 3.082566 2.513220 6.850253 8.564406 8.002071 4.278812 4.875827 4.777943 9.370367 8.899761 10.460295 0.000000 7.274914 4.262468 5.773563 5.421472 6.551977 8.420985 3.518742 9.826522 2.173642 8.217887 4.715858 10.449837 1.093022 6.555013 6.611669 8.438455 3.733710 9.948695 10.510939 2.506096 2.493761 7.307361 9.075275 8.370616 4.826649 5.622341 4.939953 10.520007 10.005660 11.490523 1.768683 0.000000 5.619595 2.911594 4.330085 3.959090 5.363043 6.912298 2.867334 8.246380 2.180536 6.827062 4.324743 8.846742 1.091881 5.217873 5.602716 7.031371 3.046173 8.308936 9.000114 2.545034 3.076846 6.027320 7.772955 6.922635 4.787721 5.002537 4.617386 9.003609 8.357503 9.862459 1.764252 1.769533 0.000000 4.121234 4.905926 3.473665 2.028888 4.143436 5.613047 5.340146 6.350086 6.214683 6.690293 6.367309 5.946086 5.752560 1.090660 2.174003 5.429127 4.548169 6.664320 7.326809 6.991044 6.847090 6.514055 7.573764 7.080899 6.864798 6.084449 7.205714 5.915409 5.097289 6.837346 5.179419 6.707427 5.344697 0.000000 3.208789 4.694749 2.738471 2.094329 2.982304 4.275253 5.245584 4.952494 6.457522 5.516675 5.913821 4.455196 6.405167 1.093904 2.173077 3.914004 4.560446 5.470550 5.844875 7.148353 7.075582 5.471753 6.262749 6.071004 6.494600 5.352195 6.720865 4.258832 3.757396 5.397344 5.974722 7.461543 6.045331 1.771257 0.000000 5.579112 5.988257 4.386885 3.392196 4.186619 6.495776 5.746614 7.289365 6.777389 7.600462 6.359341 6.708550 6.626263 2.149873 1.094214 5.892111 4.743623 7.919391 8.064170 7.718449 7.065963 7.338757 8.257356 8.283407 6.536267 5.919978 7.380642 6.257496 6.098436 7.606251 5.849276 7.584518 6.612480 2.511193 2.518073 0.000000 5.468453 4.914100 3.849247 2.687026 3.922591 6.570926 4.400999 7.638287 5.209606 7.400662 5.237726 7.391334 4.947650 2.157191 1.092668 6.073956 3.337247 8.174317 8.432885 6.208930 5.467582 6.920817 8.156953 8.017420 5.356096 5.072329 6.263600 7.066336 6.793370 8.391282 4.109523 5.863651 5.043162 2.515828 3.076147 1.773394 0.000000 4.814531 4.710885 3.203386 2.739566 2.667543 5.467486 4.298297 6.514990 5.510913 6.357570 4.687434 6.244150 5.706930 2.155168 1.091158 4.762611 3.367906 7.227037 7.175202 6.398424 5.766289 5.950894 6.954126 7.139533 4.885687 4.174789 5.709756 5.739702 5.844365 7.254491 5.089611 6.727281 5.792124 3.073684 2.505625 1.776956 1.779206 0.000000 C10H23O2PS2 C1 1 C1 1 C1 1 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8146,-.0307,-1.0662;-1.3496,-1.112,-.6431;.0319,.3319,.008;-.5483,1.6831,-.6694;.2254,.4139,1.4845;2.7526,-1.0201,.2281;-2.7515,-.7181,.5504;4.2545,-.8688,-.0471;-4.0788,-1.0703,-.1338;2.3009,-2.4782,.2313;-2.5448,-1.4505,1.8735;4.8101,.5411,.1686;-4.4486,-.1669,-1.3124;-.0342,2.9802,-.2432;-.8475,3.5271,.9155;2.5024,-.548,1.1801;-2.7119,.3624,.7105;4.4788,-1.2175,-1.0621;4.7641,-1.5652,.6296;-4.0585,-2.1208,-.4475;-4.8565,-1.0016,.6364;1.2327,-2.5673,.4355;2.8418,-3.0258,1.0106;2.5068,-2.955,-.7307;-3.3487,-1.1838,2.5685;-1.5915,-1.1749,2.3253;-2.5672,-2.5337,1.7253;4.6011,.8897,1.1845;4.3671,1.2577,-.5263;5.8934,.5563,.0235;-4.5122,.8786,-.9954;-5.4178,-.4512,-1.7302;-3.704,-.2257,-2.1089;-.1141,3.6108,-1.1294;1.0239,2.8844,.0171;-.4903,4.5275,1.178;-1.9024,3.5993,.6401;-.7492,2.8785,1.7874; 0.6234620 0.2632574 0.2184144 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. One-electron integral symmetry used in STVInt NBasis= 492 RedAO= T EigKep= 1.18D-05 NBF= 492 NBsUse= 492 1.00D-06 EigRej= -1.00D+00 NBFU= 492 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 499 499 499 499 499 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1683.46247326364 -1683.46247326 1 1.679285613962e+03 -7.077867900022e+03 2.164302111483e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415053491 LenY= 1414795935 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT303.500S Wed Sep 4 20:38:11 2024 -88.85267 -88.85208 -77.17191 -19.15593 -19.09009 -10.23782 -10.21700 -10.21460 -10.18030 -10.18001 -10.16758 -10.16571 -10.16272 -10.16203 -10.16110 -7.93972 -7.93916 -6.65584 -5.90310 -5.90268 -5.89980 -5.89932 -5.89394 -5.89310 -4.81791 -4.81711 -4.81621 -1.06372 -0.97758 -0.83186 -0.82879 -0.77798 -0.75188 -0.74578 -0.72453 -0.70697 -0.65038 -0.63988 -0.63721 -0.58844 -0.57192 -0.55252 -0.50325 -0.48985 -0.48043 -0.45665 -0.44706 -0.44332 -0.44192 -0.43892 -0.43535 -0.42106 -0.41973 -0.40817 -0.39952 -0.39216 -0.38473 -0.38152 -0.37263 -0.35972 -0.35775 -0.35648 -0.35313 -0.34907 -0.34466 -0.34015 -0.32815 -0.32306 -0.31422 -0.29785 -0.28696 -0.25603 -0.25232 -0.02390 -0.00163 0.00130 0.00639 0.01068 0.01345 0.02060 0.02134 0.02189 0.03291 0.03477 0.04031 0.04314 0.04769 0.05164 0.05269 0.05719 0.06745 0.06826 0.07008 0.07296 0.07649 0.07746 0.07865 0.08227 0.08666 0.08989 0.09185 0.09397 0.10140 0.10519 0.10721 0.11054 0.11232 0.11517 0.11939 0.12253 0.12806 0.13286 0.13937 0.14269 0.14594 0.15044 0.15442 0.15635 0.15966 0.16350 0.16747 0.17019 0.17510 0.17723 0.18031 0.18350 0.18673 0.18788 0.19226 0.19479 0.19760 0.20536 0.20733 0.20846 0.21085 0.21216 0.21704 0.22135 0.22432 0.22731 0.22940 0.23637 0.23764 0.24201 0.24658 0.24728 0.25505 0.25985 0.26312 0.26776 0.27047 0.27859 0.28102 0.28396 0.28849 0.29386 0.30271 0.30408 0.31238 0.31836 0.32177 0.32649 0.33449 0.33597 0.34864 0.34875 0.35347 0.36166 0.36489 0.37259 0.38012 0.38804 0.39623 0.40305 0.40750 0.41743 0.41985 0.42522 0.43196 0.43239 0.43446 0.44734 0.45503 0.45849 0.46800 0.48186 0.48915 0.49116 0.50366 0.50943 0.52223 0.52776 0.53002 0.54197 0.54692 0.55365 0.56108 0.56583 0.57135 0.57530 0.57755 0.58986 0.60425 0.61037 0.61827 0.62150 0.63069 0.63940 0.64495 0.64913 0.65949 0.66752 0.67260 0.67740 0.67969 0.68691 0.69239 0.69613 0.69919 0.69954 0.70285 0.70786 0.71726 0.72793 0.73211 0.73821 0.74033 0.75011 0.75577 0.76228 0.76882 0.77324 0.78259 0.78679 0.79330 0.80824 0.81976 0.82678 0.83982 0.85544 0.86415 0.86987 0.88309 0.89492 0.90638 0.91557 0.92895 0.94277 0.95499 0.96795 0.98986 0.99224 1.00203 1.01716 1.02712 1.03731 1.04830 1.06902 1.07629 1.08568 1.10042 1.11561 1.12304 1.12324 1.14085 1.14815 1.15651 1.18055 1.21028 1.23418 1.24473 1.24977 1.25991 1.26845 1.28713 1.29778 1.35763 1.36647 1.37181 1.38774 1.39763 1.40297 1.41680 1.44449 1.46386 1.46955 1.47693 1.47777 1.48329 1.49565 1.50362 1.53289 1.53510 1.53838 1.55629 1.56148 1.57008 1.57144 1.57367 1.57599 1.57920 1.58369 1.58903 1.59275 1.60117 1.60483 1.61170 1.61931 1.62335 1.62527 1.63140 1.63939 1.64591 1.65467 1.65868 1.68794 1.69722 1.70144 1.71137 1.72588 1.73038 1.75568 1.75895 1.76334 1.77065 1.78515 1.79213 1.79451 1.80368 1.81429 1.82969 1.83506 1.84428 1.85348 1.85983 1.89074 1.90276 1.93141 1.93416 1.94296 1.94787 1.97311 1.98617 1.99665 2.01802 2.02836 2.04484 2.06107 2.06871 2.07309 2.08289 2.09923 2.10668 2.11641 2.15031 2.15822 2.17506 2.18141 2.18286 2.20036 2.21416 2.24133 2.25193 2.28939 2.29899 2.30778 2.31972 2.35384 2.35427 2.37978 2.38192 2.41259 2.41430 2.46280 2.47595 2.47664 2.48364 2.49372 2.49874 2.50029 2.51772 2.52245 2.54632 2.55519 2.56149 2.56613 2.57226 2.57725 2.58232 2.58869 2.59906 2.60454 2.62145 2.62412 2.63722 2.63953 2.65160 2.65183 2.66348 2.66864 2.67491 2.68052 2.69183 2.69452 2.71099 2.71205 2.72331 2.74181 2.74995 2.79626 2.80630 2.81347 2.84034 2.84049 2.85198 2.87026 2.88544 2.90251 2.90709 2.91630 2.91792 2.94423 2.95353 2.96797 2.99777 3.01681 3.04064 3.09686 3.11272 3.15470 3.18023 3.25174 3.25951 3.27164 3.31722 3.43494 3.44433 3.57970 3.77553 3.77715 3.80458 3.80661 3.80722 3.81083 3.81484 3.81526 3.82013 3.82419 3.82907 3.82941 3.83153 3.97341 3.99786 4.00301 4.17552 4.18090 4.22529 4.31352 4.31673 5.08466 5.09471 5.15744 5.17890 5.25131 5.46817 7.23306 7.95899 7.98238 14.00876 14.03209 14.06389 17.38472 17.40462 17.45380 17.49448 17.51872 17.54846 23.78101 23.78761 23.83875 23.86842 23.87011 23.95860 23.96441 23.96970 23.98066 23.98336 49.91206 49.94844 163.36240 189.15437 189.17638 1-A. 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 37 38 S S P O O C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 0.166836 0.427208 -0.890035 -0.027890 -0.196424 0.192146 0.126850 -0.165047 -0.140670 -0.726437 -0.727124 -0.541963 -0.543520 -0.209846 -0.417957 0.234005 0.198923 0.155881 0.144209 0.152003 0.143724 0.192377 0.135889 0.158582 0.132888 0.199584 0.153608 0.138514 0.146629 0.141077 0.132320 0.140881 0.154691 0.164840 0.183321 0.143530 0.146090 0.180304 -0.00000 -0.1237 0.6149 0.2468 0.6741 -104.7977 -110.3959 -125.2654 -1.3681 -1.2434 -1.2749 8.6886 3.0905 -11.7791 -1.3681 -1.2434 -1.2749 -0.4051 38.5343 -1.6051 1.4161 -14.1711 9.8627 -1.6769 0.6048 2.2495 -2.5671 -4868.6025 -1771.9143 -753.4798 -15.6126 -1.3831 -4.5701 -5.5971 -2.0465 -7.4277 -1151.7823 -964.3509 -432.9702 2.0737 4.2109 -3.4881 (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)|(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)|(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)|(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)|(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) GINC-DEPAZ11 ALCAMI 2024-09-04T00:00:00.000 0 Wavefunction Cadusafos CONF769 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1683.4624733 RMSD=3.803e-09 Dipole=-0.1539422,0.2092728,0.0532768 Quadrupole=6.3095006,1.8933976,-8.2028982,1.1832793,1.8507457,-2.1146362 PG=C01 [X(C10H23O2P1S2)] 0 1.7974176535 0.6365607526 -0.7950546154 0 -0.7183871128 -1.5933168105 -0.55331588 0 -0.1319916322 0.3436089993 0.0141208727 0 -1.076980455 1.2689436123 -0.9196216801 0 -0.2238344777 0.6395290496 1.4729657229 0 2.8275735753 0.2450684031 0.7279160291 0 -2.333651371 -1.6912836952 0.4090394443 0 4.1747113601 0.9676327792 0.5953713859 0 -3.2911938383 -2.6177741074 -0.3515934301 0 2.9857157039 -1.2627896944 0.9051747446 0 -2.0716199046 -2.1444079586 1.8428213283 0 4.0946156791 2.4951846209 0.6517800523 0 -3.7909111591 -2.0617977923 -1.686991407 0 -1.1842952045 2.6974981867 -0.6436916897 0 -2.319740237 2.9748923149 0.3241023195 0 2.2648479913 0.66389864 1.564432577 0 -2.7445330646 -0.6783607744 0.405758898 0 4.6758982331 0.6442087623 -0.3246378652 0 4.8004896684 0.6081013389 1.4209728935 0 -2.8133143355 -3.5938942907 -0.4974021471 0 -4.1461364797 -2.7977608106 0.3113552601 0 2.0191179111 -1.7590744741 1.0049881734 0 3.5655917092 -1.4645446009 1.8122015819 0 3.5117187034 -1.7049216014 0.0548288597 0 -3.015533888 -2.1624737599 2.3988656287 0 -1.3864721346 -1.4621973534 2.3467339109 0 -1.6460883786 -3.1515981022 1.8600475014 0 3.6072385157 2.8247487903 1.5743159585 0 3.5242655896 2.8984185919 -0.1877063684 0 5.0943665325 2.9361635016 0.6228860029 0 -4.3066772785 -1.1076535307 -1.5417608176 0 -4.4925510234 -2.7551095642 -2.1578598633 0 -2.9656923201 -1.8889346128 -2.3807749823 0 -1.3613173191 3.1520698543 -1.6191741975 0 -0.2286667706 3.0666024799 -0.2600751353 0 -2.4276568945 4.0542614934 0.4677041095 0 -3.2608165281 2.5841476593 -0.0703815559 0 -2.1167892474 2.5101219906 1.2902411369 Gaussian 16 4-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C10H23O2PS2)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.7974,.6366,-.7951;-.7184,-1.5933,-.5533;-.132,.3436,.0141;-1.077,1.2689,-.9196;-.2238,.6395,1.473;2.8276,.2451,.7279;-2.3337,-1.6913,.409;4.1747,.9676,.5954;-3.2912,-2.6178,-.3516;2.9857,-1.2628,.9052;-2.0716,-2.1444,1.8428;4.0946,2.4952,.6518;-3.7909,-2.0618,-1.687;-1.1843,2.6975,-.6437;-2.3197,2.9749,.3241;2.2648,.6639,1.5644;-2.7445,-.6784,.4058;4.6759,.6442,-.3246;4.8005,.6081,1.421;-2.8133,-3.5939,-.4974;-4.1461,-2.7978,.3114;2.0191,-1.7591,1.005;3.5656,-1.4645,1.8122;3.5117,-1.7049,.0548;-3.0155,-2.1625,2.3989;-1.3865,-1.4622,2.3467;-1.6461,-3.1516,1.86;3.6072,2.8247,1.5743;3.5243,2.8984,-.1877;5.0944,2.9362,.6229;-4.3067,-1.1077,-1.5418;-4.4926,-2.7551,-2.1579;-2.9657,-1.8889,-2.3808;-1.3613,3.1521,-1.6192;-.2287,3.0666,-.2601;-2.4277,4.0543,.4677;-3.2608,2.5841,-.0704;-2.1168,2.5101,1.2902; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum Cadusafos CONF769 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 32 32 31 16 16 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 31.9720718 30.9737634 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 13.6000000 12.9400000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 507 A 492 A 492 766 507 73 73 1550.8588425501 38 38 38 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= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0411412373 0.000000 3.370470 0.000000 2.112630 2.101791 0.000000 2.945775 2.907801 1.618988 0.000000 3.037990 3.055487 1.491386 2.616963 0.000000 1.879874 4.194646 3.046020 4.359844 3.165721 0.000000 4.892283 1.882765 3.023914 3.479584 3.319029 5.521719 0.000000 2.773881 5.640954 4.390324 5.474145 4.497225 1.534421 7.033018 0.000000 6.056511 2.776606 4.345583 4.509099 4.831949 6.841091 1.534221 8.336164 0.000000 2.812537 3.994599 3.618645 5.122993 3.773913 1.526455 5.359610 2.546463 6.543320 0.000000 5.446249 2.806495 3.646441 4.502374 3.361757 5.563696 1.526340 7.089258 2.554778 5.218532 0.000000 3.290126 6.429082 4.785405 5.542416 4.771458 2.583450 7.675158 1.530690 9.038766 3.926352 7.808128 0.000000 6.269458 3.308338 4.697601 4.364415 5.477822 7.413349 2.579580 8.822572 1.530397 7.299343 3.927132 9.403057 0.000000 3.627807 4.316982 2.660988 1.458911 3.104506 4.898042 4.657324 5.765992 5.725073 5.955826 5.514902 5.439309 5.525742 0.000000 4.865316 4.919627 3.435984 2.449809 3.341651 5.840363 4.666970 6.802983 5.716485 6.814944 5.345588 6.440610 5.619350 1.517501 0.000000 2.405498 4.298787 2.872437 4.207662 2.490482 1.091714 5.294149 2.163079 6.731280 2.160185 5.173881 2.744921 7.394146 4.572519 5.281814 0.000000 4.878554 2.421206 2.832521 2.886063 3.038040 5.657285 1.093091 7.114857 2.152613 5.781585 2.160383 7.543598 2.718163 3.864209 3.678774 5.313952 0.000000 2.916676 5.844410 4.829174 5.817208 5.219079 2.164136 7.424728 1.096453 8.609054 2.829452 7.615987 2.171956 8.992516 6.217689 7.402156 3.063028 7.572679 0.000000 3.732295 6.261155 5.136006 6.360798 5.024691 2.122385 7.563541 1.096576 8.889522 2.657007 7.414860 2.156617 9.518402 6.666789 7.583040 2.540310 7.720946 1.750424 0.000000 6.264519 2.897267 4.791146 5.180764 5.339441 6.932435 2.161398 8.416305 1.096558 6.405468 2.850924 9.279925 2.172127 6.500517 6.638331 6.940295 3.052993 8.606955 8.905444 0.000000 6.953024 3.734676 5.105870 5.241480 5.343103 7.620037 2.125779 9.137580 1.096733 7.319295 2.660052 9.800059 2.158985 6.315258 6.054701 7.392835 2.542688 9.491045 9.637078 1.750523 0.000000 3.004725 3.154318 3.167076 4.739076 3.317098 2.178752 4.393899 3.499900 5.547710 1.091134 4.193397 4.746701 6.410525 5.730710 6.457533 2.498832 4.921320 3.821277 3.675948 5.382949 6.290497 0.000000 3.786670 4.895378 4.491618 6.040554 4.347638 2.154791 6.068059 2.786968 7.281995 1.095289 5.678143 4.160036 8.168182 6.776093 7.520650 2.506710 6.512591 3.200891 2.444155 7.110474 7.968736 1.769159 0.000000 3.023850 4.275054 4.180282 5.554241 4.632701 2.173376 5.856108 2.806117 6.875907 1.093274 5.879093 4.282174 7.515963 6.474703 7.481917 3.073255 6.349619 2.649098 2.979489 6.624139 7.739693 1.770196 1.774554 0.000000 6.418740 3.783675 4.503585 5.152181 4.062277 6.536837 2.155549 8.046725 2.801484 6.249443 1.095667 8.677575 4.159997 6.019129 5.584022 6.047073 2.499701 8.628619 8.350005 3.237009 2.457550 5.239594 6.643982 6.950460 0.000000 4.940929 2.978896 3.205580 4.268957 2.555866 4.826335 2.168937 6.316495 3.499185 4.608024 1.090306 6.969653 4.734109 5.127045 4.964856 4.297024 2.495218 6.951655 6.589512 3.830029 3.679979 3.672392 4.980830 5.413319 1.773964 0.000000 5.766927 3.018807 4.232778 5.252774 4.067589 5.729984 2.170411 7.242180 2.807614 5.092444 1.093529 8.142589 4.285955 6.379176 6.351915 5.471821 3.072204 7.690807 7.475727 2.667510 2.962075 4.012977 5.478143 5.652845 1.773153 1.777172 0.000000 3.698315 6.538896 4.751011 5.530114 4.411641 2.824716 7.552919 2.174681 8.995474 4.188318 7.550765 1.094176 9.447067 5.281529 6.059262 2.543891 7.347265 3.082663 2.522080 9.312062 9.660358 4.884434 4.296087 4.778690 8.331470 6.626589 7.962148 0.000000 2.909790 6.189464 4.464975 4.935824 4.680670 2.892060 7.465699 2.182710 8.769591 4.335906 7.801735 1.092078 8.964564 4.734853 5.866873 3.106317 7.241781 2.535048 3.076061 9.078048 9.567162 5.037880 4.799665 4.609742 8.664408 7.039439 8.217576 1.765513 0.000000 4.262464 7.462422 5.865727 6.576053 5.854949 3.520138 8.754110 2.172933 10.105120 4.707154 8.868586 1.093069 10.452909 6.409584 7.420226 3.749116 8.634829 2.515149 2.478544 10.316400 10.879423 5.625692 4.808103 4.936308 9.742725 8.019882 9.166523 1.768949 1.767400 0.000000 6.392169 3.753494 4.685609 4.057858 5.367572 7.607813 2.835327 8.989333 2.174435 7.693540 4.186375 9.400733 1.094302 5.003497 4.908823 7.481429 2.533263 9.232393 9.729445 3.082566 2.513220 6.850253 8.564406 8.002071 4.278812 4.875827 4.777943 9.370367 8.899761 10.460295 0.000000 7.274914 4.262468 5.773563 5.421472 6.551977 8.420985 3.518742 9.826522 2.173642 8.217887 4.715858 10.449837 1.093022 6.555013 6.611669 8.438455 3.733710 9.948695 10.510939 2.506096 2.493761 7.307361 9.075275 8.370616 4.826649 5.622341 4.939953 10.520007 10.005660 11.490523 1.768683 0.000000 5.619595 2.911594 4.330085 3.959090 5.363043 6.912298 2.867334 8.246380 2.180536 6.827062 4.324743 8.846742 1.091881 5.217873 5.602716 7.031371 3.046173 8.308936 9.000114 2.545034 3.076846 6.027320 7.772955 6.922635 4.787721 5.002537 4.617386 9.003609 8.357503 9.862459 1.764252 1.769533 0.000000 4.121234 4.905926 3.473665 2.028888 4.143436 5.613047 5.340146 6.350086 6.214683 6.690293 6.367309 5.946086 5.752560 1.090660 2.174003 5.429127 4.548169 6.664320 7.326809 6.991044 6.847090 6.514055 7.573764 7.080899 6.864798 6.084449 7.205714 5.915409 5.097289 6.837346 5.179419 6.707427 5.344697 0.000000 3.208789 4.694749 2.738471 2.094329 2.982304 4.275253 5.245584 4.952494 6.457522 5.516675 5.913821 4.455196 6.405167 1.093904 2.173077 3.914004 4.560446 5.470550 5.844875 7.148353 7.075582 5.471753 6.262749 6.071004 6.494600 5.352195 6.720865 4.258832 3.757396 5.397344 5.974722 7.461543 6.045331 1.771257 0.000000 5.579112 5.988257 4.386885 3.392196 4.186619 6.495776 5.746614 7.289365 6.777389 7.600462 6.359341 6.708550 6.626263 2.149873 1.094214 5.892111 4.743623 7.919391 8.064170 7.718449 7.065963 7.338757 8.257356 8.283407 6.536267 5.919978 7.380642 6.257496 6.098436 7.606251 5.849276 7.584518 6.612480 2.511193 2.518073 0.000000 5.468453 4.914100 3.849247 2.687026 3.922591 6.570926 4.400999 7.638287 5.209606 7.400662 5.237726 7.391334 4.947650 2.157191 1.092668 6.073956 3.337247 8.174317 8.432885 6.208930 5.467582 6.920817 8.156953 8.017420 5.356096 5.072329 6.263600 7.066336 6.793370 8.391282 4.109523 5.863651 5.043162 2.515828 3.076147 1.773394 0.000000 4.814531 4.710885 3.203386 2.739566 2.667543 5.467486 4.298297 6.514990 5.510913 6.357570 4.687434 6.244150 5.706930 2.155168 1.091158 4.762611 3.367906 7.227037 7.175202 6.398424 5.766289 5.950894 6.954126 7.139533 4.885687 4.174789 5.709756 5.739702 5.844365 7.254491 5.089611 6.727281 5.792124 3.073684 2.505625 1.776956 1.779206 0.000000 C10H23O2PS2 C1 1 C1 1 C1 1 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8146,-.0307,-1.0662;-1.3496,-1.112,-.6431;.0319,.3319,.008;-.5483,1.6831,-.6694;.2254,.4139,1.4845;2.7526,-1.0201,.2281;-2.7515,-.7181,.5504;4.2545,-.8688,-.0471;-4.0788,-1.0703,-.1338;2.3009,-2.4782,.2313;-2.5448,-1.4505,1.8735;4.8101,.5411,.1686;-4.4486,-.1669,-1.3124;-.0342,2.9802,-.2432;-.8475,3.5271,.9155;2.5024,-.548,1.1801;-2.7119,.3624,.7105;4.4788,-1.2175,-1.0621;4.7641,-1.5652,.6296;-4.0585,-2.1208,-.4475;-4.8565,-1.0016,.6364;1.2327,-2.5673,.4355;2.8418,-3.0258,1.0106;2.5068,-2.955,-.7307;-3.3487,-1.1838,2.5685;-1.5915,-1.1749,2.3253;-2.5672,-2.5337,1.7253;4.6011,.8897,1.1845;4.3671,1.2577,-.5263;5.8934,.5563,.0235;-4.5122,.8786,-.9954;-5.4178,-.4512,-1.7302;-3.704,-.2257,-2.1089;-.1141,3.6108,-1.1294;1.0239,2.8844,.0171;-.4903,4.5275,1.178;-1.9024,3.5993,.6401;-.7492,2.8785,1.7874; 0.6234620 0.2632574 0.2184144 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. One-electron integral symmetry used in STVInt NBasis= 492 RedAO= T EigKep= 1.18D-05 NBF= 492 NBsUse= 492 1.00D-06 EigRej= -1.00D+00 NBFU= 492 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 499 499 499 499 499 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1683.46247326364 -1683.46247326 1 1.679285613962e+03 -7.077867900022e+03 2.164302111483e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1415053491 LenY= 1414795935 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 5.1444 241.01 0.0074 0.000 72 74 0.14398 73 74 0.64516 73 75 -0.20500 -1683.27341963 2 Singlet-A 5.1935 238.73 0.0033 0.000 72 74 0.65317 72 75 0.12977 72 76 -0.16043 73 74 -0.14567 3 Singlet-A 5.7989 213.81 0.0085 0.000 73 74 0.20548 73 75 0.58417 73 78 -0.25944 73 79 0.10882 4 Singlet-A 5.9648 207.86 0.0008 0.000 72 74 0.18928 72 75 -0.37859 72 76 0.45372 72 77 -0.25002 72 78 0.12154 73 76 -0.10266 5 Singlet-A 6.1139 202.79 0.0035 0.000 71 74 0.27664 72 76 0.10454 73 75 -0.14164 73 76 0.51907 73 77 -0.27820 73 79 0.10478 6 Singlet-A 6.1570 201.37 0.0068 0.000 71 74 0.25095 72 75 0.51258 72 76 0.29559 72 77 -0.14501 73 76 -0.17818 7 Singlet-A 6.3053 196.63 0.1175 0.000 70 74 -0.12600 71 74 0.47862 72 75 -0.22553 72 76 -0.27408 72 77 -0.10129 72 78 -0.13494 73 76 -0.21704 8 Singlet-A 6.3789 194.37 0.0161 0.000 71 74 0.10128 73 76 0.30979 73 77 0.52948 73 79 -0.25938 9 Singlet-A 6.5118 190.40 0.0248 0.000 70 74 0.47768 73 75 0.17326 73 78 0.45004 10 Singlet-A 6.5239 190.05 0.0284 0.000 70 74 -0.31278 71 74 0.12556 72 76 0.19812 72 77 0.37922 72 78 0.14520 72 79 -0.16249 73 75 0.14013 73 78 0.28510 73 79 0.12744 PT18164.800S Wed Sep 4 21:16:40 2024 -88.85267 -88.85208 -77.17191 -19.15593 -19.09009 -10.23782 -10.21700 -10.21460 -10.18030 -10.18001 -10.16758 -10.16571 -10.16272 -10.16203 -10.16110 -7.93972 -7.93916 -6.65584 -5.90310 -5.90268 -5.89980 -5.89932 -5.89394 -5.89310 -4.81791 -4.81711 -4.81621 -1.06372 -0.97758 -0.83186 -0.82879 -0.77798 -0.75188 -0.74578 -0.72453 -0.70697 -0.65038 -0.63988 -0.63721 -0.58844 -0.57192 -0.55252 -0.50325 -0.48985 -0.48043 -0.45665 -0.44706 -0.44332 -0.44192 -0.43892 -0.43535 -0.42106 -0.41973 -0.40817 -0.39952 -0.39216 -0.38473 -0.38152 -0.37263 -0.35972 -0.35775 -0.35648 -0.35313 -0.34907 -0.34466 -0.34015 -0.32815 -0.32306 -0.31422 -0.29785 -0.28696 -0.25603 -0.25232 -0.02390 -0.00163 0.00130 0.00639 0.01068 0.01345 0.02060 0.02134 0.02189 0.03291 0.03477 0.04031 0.04314 0.04769 0.05164 0.05269 0.05719 0.06745 0.06826 0.07008 0.07296 0.07649 0.07746 0.07865 0.08227 0.08666 0.08989 0.09185 0.09397 0.10140 0.10519 0.10721 0.11054 0.11232 0.11517 0.11939 0.12253 0.12806 0.13286 0.13937 0.14269 0.14594 0.15044 0.15442 0.15635 0.15966 0.16350 0.16747 0.17019 0.17510 0.17723 0.18031 0.18350 0.18673 0.18788 0.19226 0.19479 0.19760 0.20536 0.20733 0.20846 0.21085 0.21216 0.21704 0.22135 0.22432 0.22731 0.22940 0.23637 0.23764 0.24201 0.24658 0.24728 0.25505 0.25985 0.26312 0.26776 0.27047 0.27859 0.28102 0.28396 0.28849 0.29386 0.30271 0.30408 0.31238 0.31836 0.32177 0.32649 0.33449 0.33597 0.34864 0.34875 0.35347 0.36166 0.36489 0.37259 0.38012 0.38804 0.39623 0.40305 0.40750 0.41743 0.41985 0.42522 0.43196 0.43239 0.43446 0.44734 0.45503 0.45849 0.46800 0.48186 0.48915 0.49116 0.50366 0.50943 0.52223 0.52776 0.53002 0.54197 0.54692 0.55365 0.56108 0.56583 0.57135 0.57530 0.57755 0.58986 0.60425 0.61037 0.61827 0.62150 0.63069 0.63940 0.64495 0.64913 0.65949 0.66752 0.67260 0.67740 0.67969 0.68691 0.69239 0.69613 0.69919 0.69954 0.70285 0.70786 0.71726 0.72793 0.73211 0.73821 0.74033 0.75011 0.75577 0.76228 0.76882 0.77324 0.78259 0.78679 0.79330 0.80824 0.81976 0.82678 0.83982 0.85544 0.86415 0.86987 0.88309 0.89492 0.90638 0.91557 0.92895 0.94277 0.95499 0.96795 0.98986 0.99224 1.00203 1.01716 1.02712 1.03731 1.04830 1.06902 1.07629 1.08568 1.10042 1.11561 1.12304 1.12324 1.14085 1.14815 1.15651 1.18055 1.21028 1.23418 1.24473 1.24977 1.25991 1.26845 1.28713 1.29778 1.35763 1.36647 1.37181 1.38774 1.39763 1.40297 1.41680 1.44449 1.46386 1.46955 1.47693 1.47777 1.48329 1.49565 1.50362 1.53289 1.53510 1.53838 1.55629 1.56148 1.57008 1.57144 1.57367 1.57599 1.57920 1.58369 1.58903 1.59275 1.60117 1.60483 1.61170 1.61931 1.62335 1.62527 1.63140 1.63939 1.64591 1.65467 1.65868 1.68794 1.69722 1.70144 1.71137 1.72588 1.73038 1.75568 1.75895 1.76334 1.77065 1.78515 1.79213 1.79451 1.80368 1.81429 1.82969 1.83506 1.84428 1.85348 1.85983 1.89074 1.90276 1.93141 1.93416 1.94296 1.94787 1.97311 1.98617 1.99665 2.01802 2.02836 2.04484 2.06107 2.06871 2.07309 2.08289 2.09923 2.10668 2.11641 2.15031 2.15822 2.17506 2.18141 2.18286 2.20036 2.21416 2.24133 2.25193 2.28939 2.29899 2.30778 2.31972 2.35384 2.35427 2.37978 2.38192 2.41259 2.41430 2.46280 2.47595 2.47664 2.48364 2.49372 2.49874 2.50029 2.51772 2.52245 2.54632 2.55519 2.56149 2.56613 2.57226 2.57725 2.58232 2.58869 2.59906 2.60454 2.62145 2.62412 2.63722 2.63953 2.65160 2.65183 2.66348 2.66864 2.67491 2.68052 2.69183 2.69452 2.71099 2.71205 2.72331 2.74181 2.74995 2.79626 2.80630 2.81347 2.84034 2.84049 2.85198 2.87026 2.88544 2.90251 2.90709 2.91630 2.91792 2.94423 2.95353 2.96797 2.99777 3.01681 3.04064 3.09686 3.11272 3.15470 3.18023 3.25174 3.25951 3.27164 3.31722 3.43494 3.44433 3.57970 3.77553 3.77715 3.80458 3.80661 3.80722 3.81083 3.81484 3.81526 3.82013 3.82419 3.82907 3.82941 3.83153 3.97341 3.99786 4.00301 4.17552 4.18090 4.22529 4.31352 4.31673 5.08466 5.09471 5.15744 5.17890 5.25131 5.46817 7.23306 7.95899 7.98238 14.00876 14.03209 14.06389 17.38472 17.40462 17.45380 17.49448 17.51872 17.54846 23.78101 23.78761 23.83875 23.86842 23.87011 23.95860 23.96441 23.96970 23.98066 23.98336 49.91206 49.94844 163.36240 189.15437 189.17638 1-A. 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 37 38 S S P O O C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H 0.166836 0.427208 -0.890035 -0.027890 -0.196424 0.192146 0.126850 -0.165047 -0.140670 -0.726437 -0.727124 -0.541963 -0.543520 -0.209846 -0.417957 0.234005 0.198923 0.155881 0.144209 0.152003 0.143724 0.192377 0.135889 0.158582 0.132888 0.199584 0.153608 0.138514 0.146629 0.141077 0.132320 0.140881 0.154691 0.164840 0.183321 0.143530 0.146090 0.180304 -0.00000 -0.1237 0.6149 0.2468 0.6741 -104.7977 -110.3959 -125.2654 -1.3681 -1.2434 -1.2749 8.6886 3.0905 -11.7791 -1.3681 -1.2434 -1.2749 -0.4051 38.5343 -1.6051 1.4161 -14.1711 9.8627 -1.6769 0.6048 2.2495 -2.5671 -4868.6025 -1771.9143 -753.4798 -15.6126 -1.3831 -4.5701 -5.5971 -2.0465 -7.4277 -1151.7823 -964.3509 -432.9702 2.0737 4.2109 -3.4881 (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)|(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)|(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)|(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)|(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) GINC-DEPAZ11 ALCAMI 2024-09-04T00:00:00.000 0 Electronic spectrum Cadusafos CONF769 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1683.4624733 RMSD=3.753e-09 PG=C01 [X(C10H23O2P1S2)] 0 1.7974176535 0.6365607526 -0.7950546154 0 -0.7183871128 -1.5933168105 -0.55331588 0 -0.1319916322 0.3436089993 0.0141208727 0 -1.076980455 1.2689436123 -0.9196216801 0 -0.2238344777 0.6395290496 1.4729657229 0 2.8275735753 0.2450684031 0.7279160291 0 -2.333651371 -1.6912836952 0.4090394443 0 4.1747113601 0.9676327792 0.5953713859 0 -3.2911938383 -2.6177741074 -0.3515934301 0 2.9857157039 -1.2627896944 0.9051747446 0 -2.0716199046 -2.1444079586 1.8428213283 0 4.0946156791 2.4951846209 0.6517800523 0 -3.7909111591 -2.0617977923 -1.686991407 0 -1.1842952045 2.6974981867 -0.6436916897 0 -2.319740237 2.9748923149 0.3241023195 0 2.2648479913 0.66389864 1.564432577 0 -2.7445330646 -0.6783607744 0.405758898 0 4.6758982331 0.6442087623 -0.3246378652 0 4.8004896684 0.6081013389 1.4209728935 0 -2.8133143355 -3.5938942907 -0.4974021471 0 -4.1461364797 -2.7977608106 0.3113552601 0 2.0191179111 -1.7590744741 1.0049881734 0 3.5655917092 -1.4645446009 1.8122015819 0 3.5117187034 -1.7049216014 0.0548288597 0 -3.015533888 -2.1624737599 2.3988656287 0 -1.3864721346 -1.4621973534 2.3467339109 0 -1.6460883786 -3.1515981022 1.8600475014 0 3.6072385157 2.8247487903 1.5743159585 0 3.5242655896 2.8984185919 -0.1877063684 0 5.0943665325 2.9361635016 0.6228860029 0 -4.3066772785 -1.1076535307 -1.5417608176 0 -4.4925510234 -2.7551095642 -2.1578598633 0 -2.9656923201 -1.8889346128 -2.3807749823 0 -1.3613173191 3.1520698543 -1.6191741975 0 -0.2286667706 3.0666024799 -0.2600751353 0 -2.4276568945 4.0542614934 0.4677041095 0 -3.2608165281 2.5841476593 -0.0703815559 0 -2.1167892474 2.5101219906 1.2902411369 Gaussian 16 4-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C10H23O2PS2)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.7974,.6366,-.7951;-.7184,-1.5933,-.5533;-.132,.3436,.0141;-1.077,1.2689,-.9196;-.2238,.6395,1.473;2.8276,.2451,.7279;-2.3337,-1.6913,.409;4.1747,.9676,.5954;-3.2912,-2.6178,-.3516;2.9857,-1.2628,.9052;-2.0716,-2.1444,1.8428;4.0946,2.4952,.6518;-3.7909,-2.0618,-1.687;-1.1843,2.6975,-.6437;-2.3197,2.9749,.3241;2.2648,.6639,1.5644;-2.7445,-.6784,.4058;4.6759,.6442,-.3246;4.8005,.6081,1.421;-2.8133,-3.5939,-.4974;-4.1461,-2.7978,.3114;2.0191,-1.7591,1.005;3.5656,-1.4645,1.8122;3.5117,-1.7049,.0548;-3.0155,-2.1625,2.3989;-1.3865,-1.4622,2.3467;-1.6461,-3.1516,1.86;3.6072,2.8247,1.5743;3.5243,2.8984,-.1877;5.0944,2.9362,.6229;-4.3067,-1.1077,-1.5418;-4.4926,-2.7551,-2.1579;-2.9657,-1.8889,-2.3808;-1.3613,3.1521,-1.6192;-.2287,3.0666,-.2601;-2.4277,4.0543,.4677;-3.2608,2.5841,-.0704;-2.1168,2.5101,1.2902; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Cadusafos CONF769 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 32 32 31 16 16 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 31.9720718 31.9720718 30.9737634 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 13.6000000 13.6000000 12.9400000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 906 A 816 A 816 1165 906 73 73 1550.8588425501 38 38 38 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= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0411412373 0.000000 3.370470 0.000000 2.112630 2.101791 0.000000 2.945775 2.907801 1.618988 0.000000 3.037990 3.055487 1.491386 2.616963 0.000000 1.879874 4.194646 3.046020 4.359844 3.165721 0.000000 4.892283 1.882765 3.023914 3.479584 3.319029 5.521719 0.000000 2.773881 5.640954 4.390324 5.474145 4.497225 1.534421 7.033018 0.000000 6.056511 2.776606 4.345583 4.509099 4.831949 6.841091 1.534221 8.336164 0.000000 2.812537 3.994599 3.618645 5.122993 3.773913 1.526455 5.359610 2.546463 6.543320 0.000000 5.446249 2.806495 3.646441 4.502374 3.361757 5.563696 1.526340 7.089258 2.554778 5.218532 0.000000 3.290126 6.429082 4.785405 5.542416 4.771458 2.583450 7.675158 1.530690 9.038766 3.926352 7.808128 0.000000 6.269458 3.308338 4.697601 4.364415 5.477822 7.413349 2.579580 8.822572 1.530397 7.299343 3.927132 9.403057 0.000000 3.627807 4.316982 2.660988 1.458911 3.104506 4.898042 4.657324 5.765992 5.725073 5.955826 5.514902 5.439309 5.525742 0.000000 4.865316 4.919627 3.435984 2.449809 3.341651 5.840363 4.666970 6.802983 5.716485 6.814944 5.345588 6.440610 5.619350 1.517501 0.000000 2.405498 4.298787 2.872437 4.207662 2.490482 1.091714 5.294149 2.163079 6.731280 2.160185 5.173881 2.744921 7.394146 4.572519 5.281814 0.000000 4.878554 2.421206 2.832521 2.886063 3.038040 5.657285 1.093091 7.114857 2.152613 5.781585 2.160383 7.543598 2.718163 3.864209 3.678774 5.313952 0.000000 2.916676 5.844410 4.829174 5.817208 5.219079 2.164136 7.424728 1.096453 8.609054 2.829452 7.615987 2.171956 8.992516 6.217689 7.402156 3.063028 7.572679 0.000000 3.732295 6.261155 5.136006 6.360798 5.024691 2.122385 7.563541 1.096576 8.889522 2.657007 7.414860 2.156617 9.518402 6.666789 7.583040 2.540310 7.720946 1.750424 0.000000 6.264519 2.897267 4.791146 5.180764 5.339441 6.932435 2.161398 8.416305 1.096558 6.405468 2.850924 9.279925 2.172127 6.500517 6.638331 6.940295 3.052993 8.606955 8.905444 0.000000 6.953024 3.734676 5.105870 5.241480 5.343103 7.620037 2.125779 9.137580 1.096733 7.319295 2.660052 9.800059 2.158985 6.315258 6.054701 7.392835 2.542688 9.491045 9.637078 1.750523 0.000000 3.004725 3.154318 3.167076 4.739076 3.317098 2.178752 4.393899 3.499900 5.547710 1.091134 4.193397 4.746701 6.410525 5.730710 6.457533 2.498832 4.921320 3.821277 3.675948 5.382949 6.290497 0.000000 3.786670 4.895378 4.491618 6.040554 4.347638 2.154791 6.068059 2.786968 7.281995 1.095289 5.678143 4.160036 8.168182 6.776093 7.520650 2.506710 6.512591 3.200891 2.444155 7.110474 7.968736 1.769159 0.000000 3.023850 4.275054 4.180282 5.554241 4.632701 2.173376 5.856108 2.806117 6.875907 1.093274 5.879093 4.282174 7.515963 6.474703 7.481917 3.073255 6.349619 2.649098 2.979489 6.624139 7.739693 1.770196 1.774554 0.000000 6.418740 3.783675 4.503585 5.152181 4.062277 6.536837 2.155549 8.046725 2.801484 6.249443 1.095667 8.677575 4.159997 6.019129 5.584022 6.047073 2.499701 8.628619 8.350005 3.237009 2.457550 5.239594 6.643982 6.950460 0.000000 4.940929 2.978896 3.205580 4.268957 2.555866 4.826335 2.168937 6.316495 3.499185 4.608024 1.090306 6.969653 4.734109 5.127045 4.964856 4.297024 2.495218 6.951655 6.589512 3.830029 3.679979 3.672392 4.980830 5.413319 1.773964 0.000000 5.766927 3.018807 4.232778 5.252774 4.067589 5.729984 2.170411 7.242180 2.807614 5.092444 1.093529 8.142589 4.285955 6.379176 6.351915 5.471821 3.072204 7.690807 7.475727 2.667510 2.962075 4.012977 5.478143 5.652845 1.773153 1.777172 0.000000 3.698315 6.538896 4.751011 5.530114 4.411641 2.824716 7.552919 2.174681 8.995474 4.188318 7.550765 1.094176 9.447067 5.281529 6.059262 2.543891 7.347265 3.082663 2.522080 9.312062 9.660358 4.884434 4.296087 4.778690 8.331470 6.626589 7.962148 0.000000 2.909790 6.189464 4.464975 4.935824 4.680670 2.892060 7.465699 2.182710 8.769591 4.335906 7.801735 1.092078 8.964564 4.734853 5.866873 3.106317 7.241781 2.535048 3.076061 9.078048 9.567162 5.037880 4.799665 4.609742 8.664408 7.039439 8.217576 1.765513 0.000000 4.262464 7.462422 5.865727 6.576053 5.854949 3.520138 8.754110 2.172933 10.105120 4.707154 8.868586 1.093069 10.452909 6.409584 7.420226 3.749116 8.634829 2.515149 2.478544 10.316400 10.879423 5.625692 4.808103 4.936308 9.742725 8.019882 9.166523 1.768949 1.767400 0.000000 6.392169 3.753494 4.685609 4.057858 5.367572 7.607813 2.835327 8.989333 2.174435 7.693540 4.186375 9.400733 1.094302 5.003497 4.908823 7.481429 2.533263 9.232393 9.729445 3.082566 2.513220 6.850253 8.564406 8.002071 4.278812 4.875827 4.777943 9.370367 8.899761 10.460295 0.000000 7.274914 4.262468 5.773563 5.421472 6.551977 8.420985 3.518742 9.826522 2.173642 8.217887 4.715858 10.449837 1.093022 6.555013 6.611669 8.438455 3.733710 9.948695 10.510939 2.506096 2.493761 7.307361 9.075275 8.370616 4.826649 5.622341 4.939953 10.520007 10.005660 11.490523 1.768683 0.000000 5.619595 2.911594 4.330085 3.959090 5.363043 6.912298 2.867334 8.246380 2.180536 6.827062 4.324743 8.846742 1.091881 5.217873 5.602716 7.031371 3.046173 8.308936 9.000114 2.545034 3.076846 6.027320 7.772955 6.922635 4.787721 5.002537 4.617386 9.003609 8.357503 9.862459 1.764252 1.769533 0.000000 4.121234 4.905926 3.473665 2.028888 4.143436 5.613047 5.340146 6.350086 6.214683 6.690293 6.367309 5.946086 5.752560 1.090660 2.174003 5.429127 4.548169 6.664320 7.326809 6.991044 6.847090 6.514055 7.573764 7.080899 6.864798 6.084449 7.205714 5.915409 5.097289 6.837346 5.179419 6.707427 5.344697 0.000000 3.208789 4.694749 2.738471 2.094329 2.982304 4.275253 5.245584 4.952494 6.457522 5.516675 5.913821 4.455196 6.405167 1.093904 2.173077 3.914004 4.560446 5.470550 5.844875 7.148353 7.075582 5.471753 6.262749 6.071004 6.494600 5.352195 6.720865 4.258832 3.757396 5.397344 5.974722 7.461543 6.045331 1.771257 0.000000 5.579112 5.988257 4.386885 3.392196 4.186619 6.495776 5.746614 7.289365 6.777389 7.600462 6.359341 6.708550 6.626263 2.149873 1.094214 5.892111 4.743623 7.919391 8.064170 7.718449 7.065963 7.338757 8.257356 8.283407 6.536267 5.919978 7.380642 6.257496 6.098436 7.606251 5.849276 7.584518 6.612480 2.511193 2.518073 0.000000 5.468453 4.914100 3.849247 2.687026 3.922591 6.570926 4.400999 7.638287 5.209606 7.400662 5.237726 7.391334 4.947650 2.157191 1.092668 6.073956 3.337247 8.174317 8.432885 6.208930 5.467582 6.920817 8.156953 8.017420 5.356096 5.072329 6.263600 7.066336 6.793370 8.391282 4.109523 5.863651 5.043162 2.515828 3.076147 1.773394 0.000000 4.814531 4.710885 3.203386 2.739566 2.667543 5.467486 4.298297 6.514990 5.510913 6.357570 4.687434 6.244150 5.706930 2.155168 1.091158 4.762611 3.367906 7.227037 7.175202 6.398424 5.766289 5.950894 6.954126 7.139533 4.885687 4.174789 5.709756 5.739702 5.844365 7.254491 5.089611 6.727281 5.792124 3.073684 2.505625 1.776956 1.779206 0.000000 C10H23O2PS2 C1 1 C1 1 C1 1 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 0 0 247.20956099999984 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;4;5;3;1;2;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38/rA:38nS0S0P0O0O0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.8146,-.0307,-1.0662;-1.3496,-1.112,-.6431;.0319,.3319,.008;-.5483,1.6831,-.6694;.2254,.4139,1.4845;2.7526,-1.0201,.2281;-2.7515,-.7181,.5504;4.2545,-.8688,-.0471;-4.0788,-1.0703,-.1338;2.3009,-2.4782,.2313;-2.5448,-1.4505,1.8735;4.8101,.5411,.1686;-4.4486,-.1669,-1.3124;-.0342,2.9802,-.2432;-.8475,3.5271,.9155;2.5024,-.548,1.1801;-2.7119,.3624,.7105;4.4788,-1.2175,-1.0621;4.7641,-1.5652,.6296;-4.0585,-2.1208,-.4475;-4.8565,-1.0016,.6364;1.2327,-2.5673,.4355;2.8418,-3.0258,1.0106;2.5068,-2.955,-.7307;-3.3487,-1.1838,2.5685;-1.5915,-1.1749,2.3253;-2.5672,-2.5337,1.7253;4.6011,.8897,1.1845;4.3671,1.2577,-.5263;5.8934,.5563,.0235;-4.5122,.8786,-.9954;-5.4178,-.4512,-1.7302;-3.704,-.2257,-2.1089;-.1141,3.6108,-1.1294;1.0239,2.8844,.0171;-.4903,4.5275,1.178;-1.9024,3.5993,.6401;-.7492,2.8785,1.7874; 0.6234620 0.2632574 0.2184144 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. One-electron integral symmetry used in STVInt NBasis= 816 RedAO= T EigKep= 7.44D-06 NBF= 816 NBsUse= 816 1.00D-06 EigRej= -1.00D+00 NBFU= 816 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 886 886 886 886 886 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1683.46821907532 -1683.53742802707 -0.069208951746 -1683.53447621906 0.002951808002 -1683.53952256884 -0.005046349773 -1683.53959789085 -0.000075322015 -1683.53961430248 -0.000016411630 -1683.53961586292 -0.000001560438 -1683.53961596368 -0.000000100758 -1683.53961597843 -0.000000014753 -1683.53961597897 -0.000000000538 -1683.53961597921 -0.000000000246 -1683.53961598 11 1.679042236305e+03 -7.078255970729e+03 2.164856417132e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1413919939 LenY= 1413098197 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT14308.100S Wed Sep 4 21:46:41 2024 -88.85092 -88.84978 -77.15770 -19.15473 -19.08603 -10.23486 -10.21451 -10.21226 -10.17862 -10.17847 -10.16533 -10.16377 -10.16126 -10.16018 -10.16005 -7.93700 -7.93590 -6.63774 -5.89987 -5.89892 -5.89707 -5.89603 -5.89214 -5.89078 -4.80024 -4.79976 -4.79798 -1.05648 -0.96789 -0.82886 -0.82628 -0.77408 -0.74917 -0.74389 -0.72143 -0.70339 -0.64746 -0.63830 -0.63589 -0.58558 -0.57004 -0.54939 -0.49972 -0.48649 -0.47810 -0.45407 -0.44537 -0.44186 -0.44046 -0.43765 -0.43398 -0.41977 -0.41834 -0.40575 -0.39697 -0.38918 -0.38372 -0.38070 -0.37078 -0.35865 -0.35656 -0.35552 -0.35193 -0.34764 -0.34349 -0.33872 -0.32664 -0.32151 -0.31268 -0.29625 -0.28501 -0.25552 -0.25163 -0.02225 -0.00368 -0.00082 0.00589 0.00850 0.01275 0.01907 0.02051 0.02091 0.03143 0.03354 0.03778 0.04181 0.04562 0.04962 0.05069 0.05551 0.06609 0.06672 0.06831 0.07016 0.07445 0.07533 0.07573 0.07927 0.08468 0.08835 0.08994 0.09188 0.09960 0.10220 0.10451 0.10811 0.10924 0.11104 0.11702 0.11916 0.12576 0.12940 0.13537 0.13965 0.14037 0.14755 0.15062 0.15208 0.15560 0.15895 0.16407 0.16504 0.17064 0.17264 0.17520 0.17816 0.18122 0.18261 0.18553 0.18890 0.19282 0.19779 0.20085 0.20197 0.20269 0.20570 0.20634 0.21340 0.21688 0.21972 0.22027 0.22834 0.23073 0.23251 0.23597 0.24052 0.24296 0.24789 0.25404 0.25839 0.26052 0.26334 0.26760 0.27203 0.27331 0.27662 0.27889 0.28700 0.28829 0.29023 0.30133 0.30281 0.30627 0.31083 0.31147 0.31480 0.32231 0.32550 0.32623 0.33138 0.33551 0.33768 0.33947 0.34297 0.34520 0.34570 0.35318 0.35909 0.36159 0.36667 0.36894 0.37467 0.37992 0.39034 0.39095 0.39462 0.39789 0.40250 0.40506 0.40717 0.41455 0.42015 0.42562 0.42796 0.43598 0.43991 0.44606 0.45280 0.45674 0.46021 0.46530 0.46846 0.47230 0.47840 0.48223 0.48379 0.48799 0.49873 0.50553 0.50704 0.51046 0.51755 0.52308 0.52472 0.52806 0.53572 0.54271 0.54847 0.55301 0.55974 0.56941 0.57205 0.57556 0.57852 0.58434 0.58662 0.59085 0.59636 0.59674 0.60917 0.61017 0.61495 0.61867 0.62138 0.62665 0.62842 0.63608 0.63884 0.64637 0.65130 0.65594 0.65899 0.66117 0.66710 0.67150 0.67589 0.68334 0.68608 0.69205 0.69584 0.69852 0.70367 0.70617 0.70878 0.71648 0.71764 0.72688 0.73227 0.73664 0.74156 0.74681 0.74845 0.75347 0.75699 0.76678 0.77223 0.78260 0.79055 0.79551 0.80074 0.81191 0.81744 0.83165 0.84074 0.84230 0.84904 0.85523 0.85879 0.86127 0.86786 0.87888 0.88329 0.88555 0.89270 0.89920 0.90782 0.91457 0.91902 0.92538 0.94041 0.94566 0.94756 0.96378 0.96751 0.97174 0.99007 0.99285 0.99853 1.00245 1.00687 1.02172 1.02397 1.03123 1.03299 1.04035 1.04949 1.05770 1.06371 1.06922 1.07521 1.08065 1.09027 1.09365 1.09687 1.10708 1.11395 1.11576 1.11974 1.12540 1.12801 1.13493 1.13985 1.14570 1.14659 1.14938 1.15535 1.15820 1.16266 1.16702 1.17276 1.17346 1.17648 1.18212 1.18756 1.19063 1.19658 1.20288 1.21293 1.21628 1.21870 1.22143 1.22836 1.23344 1.23814 1.23888 1.24203 1.25307 1.25823 1.26203 1.26619 1.27045 1.27783 1.28131 1.28516 1.29252 1.30096 1.30673 1.31066 1.31214 1.31657 1.32461 1.33670 1.34470 1.34868 1.35977 1.36252 1.36798 1.37108 1.37572 1.38878 1.39182 1.39299 1.39702 1.40600 1.41413 1.41875 1.42359 1.42951 1.44179 1.44969 1.45256 1.45657 1.46588 1.47431 1.47475 1.48404 1.48497 1.49618 1.49785 1.50198 1.50575 1.51057 1.51965 1.52599 1.53075 1.53498 1.54398 1.54906 1.56222 1.56825 1.57519 1.58152 1.58861 1.60544 1.62247 1.62662 1.62993 1.64578 1.64981 1.66195 1.67329 1.67484 1.68192 1.69581 1.70413 1.71481 1.73281 1.74681 1.76575 1.77963 1.78193 1.78798 1.80714 1.81369 1.81796 1.83300 1.85450 1.85922 1.86559 1.88350 1.89767 1.90687 1.91523 1.92202 1.92694 1.93421 1.94705 1.95403 1.95578 1.97000 1.97472 1.98976 1.99348 2.00315 2.02324 2.03095 2.04364 2.04759 2.05122 2.05675 2.07861 2.08261 2.08669 2.09602 2.10577 2.11470 2.11888 2.13158 2.13394 2.13773 2.14787 2.15540 2.17165 2.17510 2.18127 2.18587 2.20261 2.21457 2.21876 2.22294 2.23132 2.24786 2.26196 2.27359 2.29833 2.32791 2.33474 2.34085 2.35061 2.37141 2.38876 2.40438 2.42313 2.42970 2.44583 2.46576 2.49256 2.51623 2.54061 2.55234 2.57057 2.59372 2.68948 2.69555 2.69878 2.70568 2.71411 2.71947 2.73746 2.74472 2.76796 2.77189 2.80075 2.82643 2.84473 2.86565 2.87178 2.88514 2.88642 2.89411 2.90329 2.90491 2.90819 2.93112 2.93601 2.94216 2.95351 2.96323 2.96581 2.99407 3.00001 3.00514 3.00872 3.05207 3.06727 3.09025 3.09282 3.09802 3.10152 3.10958 3.12062 3.12582 3.13125 3.13417 3.15448 3.15701 3.16336 3.16652 3.17385 3.18745 3.18814 3.20244 3.21036 3.21656 3.21851 3.22581 3.23205 3.23911 3.24643 3.25477 3.27565 3.27968 3.28411 3.29340 3.29932 3.32823 3.33685 3.34097 3.35467 3.36077 3.37344 3.37957 3.38644 3.39059 3.41704 3.44736 3.45136 3.48683 3.49032 3.53818 3.54566 3.55628 3.57518 3.58989 3.59963 3.60888 3.61293 3.62768 3.65205 3.66397 3.66759 3.67185 3.68101 3.68285 3.68435 3.69024 3.71452 3.72105 3.74125 3.75866 3.77187 3.78013 3.80417 3.82940 3.84838 3.85827 3.87965 3.88550 3.89360 3.90103 3.94704 3.95066 3.95312 3.98371 3.99104 4.08546 4.09519 4.09675 4.12677 4.12927 4.14459 4.15629 4.16518 4.20825 4.21190 4.23169 4.26012 4.28789 4.30481 4.30940 4.31405 4.31785 4.32505 4.32790 4.33370 4.33842 4.34075 4.34446 4.34882 4.35455 4.35895 4.37423 4.37493 4.39752 4.40555 4.41265 4.41808 4.42525 4.42724 4.44163 4.45019 4.46562 4.47942 4.49537 4.50047 4.50885 4.51773 4.52503 4.53897 4.54286 4.55084 4.55683 4.58251 4.58802 4.59122 4.60295 4.61164 4.61784 4.62300 4.62955 4.64844 4.67537 4.68103 4.68393 4.70027 4.70494 4.71057 4.72278 4.73220 4.76282 4.77510 4.78877 4.80515 4.82104 4.83832 4.83939 4.89905 4.90663 4.91572 4.93223 5.01068 5.03927 5.09069 5.10063 5.10408 5.10595 5.12277 5.17773 5.18951 5.22425 5.26678 5.28055 5.30111 5.33839 5.34399 5.35681 5.37859 5.43679 5.46883 5.47382 5.48177 5.51331 5.52865 5.54155 5.54285 5.58656 5.61842 5.64358 5.65422 5.69097 5.74343 5.75482 5.75701 5.75941 5.77066 5.78434 5.78811 5.79126 5.79823 5.80247 5.81591 5.81899 5.82707 5.82973 5.84326 5.89877 6.04229 6.20676 6.38122 7.13789 7.14098 7.18324 7.18625 7.20142 7.21091 7.21395 7.21531 7.25291 7.26935 7.33272 7.33374 7.34462 7.35137 7.37666 7.38829 7.40393 7.47126 7.51659 7.51890 7.65303 7.65456 7.70435 7.70895 7.71707 7.75722 7.76463 7.78015 7.78433 7.88924 7.92648 7.93831 7.96275 8.01428 8.02026 8.04811 8.05290 8.07778 8.08615 8.10998 8.16325 8.16571 8.22229 8.24385 8.24781 8.25630 8.32379 8.32845 8.38562 8.44076 8.44264 8.61133 8.61879 14.17637 14.28108 14.31028 14.42142 14.42437 14.43720 14.44838 14.52845 14.53731 14.55469 14.71286 14.91511 15.08085 17.55845 17.57200 17.84463 17.88147 17.94429 17.96827 24.17758 24.17885 24.23024 24.32966 24.33523 24.45671 24.45805 24.48007 24.50242 24.50350 50.11990 50.18474 164.13761 189.43188 189.46185 1-A. 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 37 38 S S P O O C C C C C C C C C C H H H H H H H H H H H H H H H H H H H H H H H -0.540192 -0.482345 0.694993 -0.380163 -0.453014 -0.321974 -0.293236 0.169676 0.120052 -0.414164 -0.398635 -0.516398 -0.523873 0.078672 -0.492607 0.219940 0.197900 0.157859 0.143701 0.154929 0.140134 0.187823 0.154166 0.163472 0.151327 0.172195 0.162387 0.155264 0.168696 0.138080 0.152055 0.138573 0.173954 0.151263 0.187834 0.150331 0.155240 0.176083 -0.00000 -0.1481 0.5862 0.1334 0.6192 -104.5716 -110.1821 -124.2090 -1.3992 -1.1573 -1.3510 8.4160 2.8055 -11.2214 -1.3992 -1.1573 -1.3510 -0.5237 37.3167 -1.5770 1.0000 -13.6181 9.3302 -1.3377 1.0415 1.7570 -2.2698 -4870.6013 -1776.7898 -749.9263 -15.1772 -1.8402 -4.3951 -5.9454 -2.0726 -7.4811 -1150.9396 -963.3109 -432.1197 1.9640 4.3167 -3.5365 (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)|(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)|(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)|(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)|(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)|(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)|(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)|(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) GINC-DEPAZ11 ALCAMI 2024-09-04T00:00:00.000 0 Single Point Cadusafos CONF769 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1683.539616 RMSD=6.287e-09 Dipole=-0.1511091,0.1908043,0.0101286 Quadrupole=6.1118654,1.6669105,-7.7787758,1.1734289,1.8338958,-2.0789455 PG=C01 [X(C10H23O2P1S2)] 0 1.7974176535 0.6365607526 -0.7950546154 0 -0.7183871128 -1.5933168105 -0.55331588 0 -0.1319916322 0.3436089993 0.0141208727 0 -1.076980455 1.2689436123 -0.9196216801 0 -0.2238344777 0.6395290496 1.4729657229 0 2.8275735753 0.2450684031 0.7279160291 0 -2.333651371 -1.6912836952 0.4090394443 0 4.1747113601 0.9676327792 0.5953713859 0 -3.2911938383 -2.6177741074 -0.3515934301 0 2.9857157039 -1.2627896944 0.9051747446 0 -2.0716199046 -2.1444079586 1.8428213283 0 4.0946156791 2.4951846209 0.6517800523 0 -3.7909111591 -2.0617977923 -1.686991407 0 -1.1842952045 2.6974981867 -0.6436916897 0 -2.319740237 2.9748923149 0.3241023195 0 2.2648479913 0.66389864 1.564432577 0 -2.7445330646 -0.6783607744 0.405758898 0 4.6758982331 0.6442087623 -0.3246378652 0 4.8004896684 0.6081013389 1.4209728935 0 -2.8133143355 -3.5938942907 -0.4974021471 0 -4.1461364797 -2.7977608106 0.3113552601 0 2.0191179111 -1.7590744741 1.0049881734 0 3.5655917092 -1.4645446009 1.8122015819 0 3.5117187034 -1.7049216014 0.0548288597 0 -3.015533888 -2.1624737599 2.3988656287 0 -1.3864721346 -1.4621973534 2.3467339109 0 -1.6460883786 -3.1515981022 1.8600475014 0 3.6072385157 2.8247487903 1.5743159585 0 3.5242655896 2.8984185919 -0.1877063684 0 5.0943665325 2.9361635016 0.6228860029 0 -4.3066772785 -1.1076535307 -1.5417608176 0 -4.4925510234 -2.7551095642 -2.1578598633 0 -2.9656923201 -1.8889346128 -2.3807749823 0 -1.3613173191 3.1520698543 -1.6191741975 0 -0.2286667706 3.0666024799 -0.2600751353 0 -2.4276568945 4.0542614934 0.4677041095 0 -3.2608165281 2.5841476593 -0.0703815559 0 -2.1167892474 2.5101219906 1.2902411369