Gaussian 16 GINC-HAMILTON18 ALCAMI Optimization Fenamiphos CONF72 gas EM64L-G16RevC.01 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 41 41 81 81 566 (5D, 7F) 6-311+G(d,p) 117 117 C1[X(C13H22NO3PS)] C1[X(C13H22NO3PS)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 281.1827609999998 0 1 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.7668,-.8021,.1601;2.0957,.1129,.8134;.8821,.9492,.1204;3.3093,1.0367,.3275;1.9739,-.1106,2.2635;2.2192,-1.2626,-.0695;2.3817,-1.3526,-1.5146;1.4387,-2.41,-2.0724;3.8323,-1.6187,-1.8973;-.4158,.5044,.141;-2.4021,-.192,1.3209;-1.0745,.2107,1.3265;3.5005,2.3451,.8734;-1.0811,.3973,-1.0655;-3.0794,-.2962,.0963;-2.4084,-.0007,-1.084;-3.0967,-.5026,2.6125;4.9489,2.7346,.6937;-5.2938,-.6849,-1.5549;2.0911,-.3848,-1.9299;2.4499,-2.0918,.457;1.6805,-3.3985,-1.6752;.4054,-2.1852,-1.8101;1.5156,-2.467,-3.1587;4.1728,-2.5766,-1.4976;4.4855,-.8383,-1.5094;3.9508,-1.6553,-2.9809;-.5499,.2989,2.2688;2.8435,3.0495,.357;3.2339,2.3545,1.9333;-.5692,.6327,-1.9897;-2.9068,-.0752,-2.0399;-2.4297,-.3582,3.4604;-3.9697,.1367,2.7601;-3.4491,-1.5361,2.6399;5.2347,2.7319,-.3579;5.1105,3.7405,1.0818;5.6097,2.0562,1.2322;-4.7621,-1.3846,-2.1982;-5.1913,.3276,-1.9429;-6.3493,-.9499,-1.5635; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6491522/Gau-3467355.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6491522/" 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 Fenamiphos CONF72 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 39 40 41 32 31 16 16 16 14 12 12 12 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 31.9720718 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 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 0 1 0 0 0 2 0 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 -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 -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 R38 R39 R40 R41 1 1 2 2 2 2 3 4 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 13 13 13 14 14 15 16 17 17 17 18 18 18 19 19 19 15 19 3 4 5 6 10 13 7 21 8 9 20 22 23 24 25 26 27 12 14 12 15 17 28 18 29 30 16 31 16 32 33 34 35 36 37 38 39 40 41 1.7627 1.798 1.6286 1.6008 1.4722 1.6392 1.3722 1.4306 1.457 1.009 1.5227 1.5236 1.0925 1.0924 1.0895 1.0905 1.0924 1.0891 1.0907 1.3877 1.3819 1.3873 1.4033 1.4991 1.0821 1.5106 1.093 1.093 1.3858 1.0824 1.3895 1.0806 1.0885 1.0921 1.0922 1.0898 1.0902 1.0894 1.0891 1.0892 1.0883 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A70 A71 A72 15 3 3 3 4 4 5 2 2 2 2 7 6 6 6 8 8 9 7 7 7 22 22 23 7 7 7 25 25 26 3 3 12 12 12 15 10 10 11 4 4 4 18 18 29 10 10 16 1 1 11 14 14 15 11 11 11 33 33 34 13 13 13 36 36 37 1 1 1 39 39 40 1 2 2 2 2 2 2 3 4 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 19 4 5 6 5 6 6 10 13 7 21 21 8 9 20 9 20 20 22 23 24 23 24 24 25 26 27 26 27 27 12 14 14 15 17 17 11 28 28 18 29 30 29 30 30 16 31 31 11 16 16 15 32 32 33 34 35 34 35 35 36 37 38 37 38 38 39 40 41 40 41 41 103.1413 98.0144 115.8142 104.9428 116.701 105.2825 114.1659 122.1372 120.883 126.4782 115.1969 116.189 109.7045 111.4748 107.0152 112.1107 108.1285 108.2071 110.9814 110.8481 110.9532 108.0061 107.4088 108.5132 110.9744 110.883 111.0228 108.1285 107.4707 108.227 122.0333 117.8652 120.0636 119.1427 120.0065 120.8501 120.8105 119.7718 119.4175 108.5782 109.198 110.1996 110.7371 110.3063 107.8152 119.669 120.0633 120.2651 116.8551 123.6471 119.4977 120.816 118.2488 120.9353 111.0816 111.4445 111.5427 107.8765 107.6766 107.0145 111.4405 109.7365 111.2348 107.8776 108.4448 107.9824 112.2367 111.889 106.025 109.9283 108.2026 108.3484 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D82 D83 D84 D85 19 19 15 15 15 4 5 6 3 5 6 3 3 4 4 5 5 2 2 2 2 2 2 2 2 21 21 21 6 6 6 9 9 9 20 20 20 6 6 6 8 8 8 20 20 20 3 3 14 14 3 3 12 12 15 15 17 17 12 12 17 17 12 12 12 15 15 15 4 4 4 29 29 29 30 30 30 10 10 31 31 1 1 11 11 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 4 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 19 19 19 3 3 3 4 4 4 6 6 6 6 6 6 10 10 13 13 13 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 14 14 14 14 12 12 12 12 15 15 15 15 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 16 16 16 16 16 16 16 16 11 16 39 40 41 10 10 10 13 13 13 7 21 7 21 7 21 12 14 18 29 30 8 9 20 8 9 20 22 23 24 22 23 24 22 23 24 25 26 27 25 26 27 25 26 27 11 28 11 28 16 31 16 31 10 28 10 28 1 16 1 16 33 34 35 33 34 35 36 37 38 36 37 38 36 37 38 15 32 15 32 14 32 14 32 175.6798 -4.1818 64.335 -59.7968 -177.725 174.4697 -60.6283 66.2253 70.8151 -53.4524 178.7789 53.6468 -143.7117 -49.21 113.4315 -178.4931 -15.8516 56.0705 -126.1704 156.9118 -82.2527 35.9963 -134.7474 100.4656 -17.6676 62.761 -62.026 179.8408 -62.8791 57.1411 177.7821 61.5395 -178.4403 -57.7993 -179.2588 -59.2385 61.4024 62.2218 -57.9712 -178.3207 -61.2079 178.5991 58.2496 179.6365 59.4436 -60.9059 177.6927 -2.1098 -0.0182 -179.8208 -177.6214 1.7894 0.1836 179.5944 -0.2119 179.5913 -179.899 -0.0958 -179.5917 0.2759 0.0926 179.9602 0.3891 120.7122 -119.7466 -179.2925 -58.9695 60.5718 59.1887 178.6137 -61.9607 -60.6921 58.7329 178.1586 -179.9617 -60.5366 58.889 -0.117 179.902 -179.5266 0.4924 179.7442 -0.2753 -0.1139 179.8665 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 585 A 566 A 888 585 1822.9059171521 41 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= 566 RedAO= T EigKep= 1.34D-06 NBF= 566 NBsUse= 565 1.00D-06 EigRej= 5.27D-07 NBFU= 565 Berny optimization. local minimum Step number 19 out of a maximum of 208 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00118 0.00158 0.00270 0.00457 0.00460 0.00488 0.00631 0.00791 0.01008 0.01316 0.01611 0.01872 0.01958 0.02136 0.02252 0.02256 0.02281 0.02284 0.02306 0.02314 0.02706 0.03007 0.04031 0.04675 0.05377 0.05472 0.05642 0.05650 0.05689 0.05694 0.05771 0.05853 0.06164 0.07198 0.07254 0.09569 0.10105 0.10487 0.11106 0.12084 0.13581 0.14106 0.14894 0.15515 0.15839 0.15891 0.15994 0.15998 0.15999 0.16000 0.16000 0.16000 0.16001 0.16002 0.16003 0.16005 0.16009 0.16020 0.16103 0.16147 0.16391 0.16928 0.18024 0.18635 0.20147 0.20863 0.22100 0.22323 0.22706 0.23833 0.24496 0.24737 0.25040 0.25678 0.26454 0.27868 0.28914 0.30025 0.30486 0.31340 0.32822 0.34355 0.34468 0.34521 0.34534 0.34553 0.34563 0.34675 0.34739 0.34766 0.34831 0.34847 0.34873 0.34878 0.34913 0.34938 0.34979 0.35004 0.35396 0.35623 0.35737 0.35917 0.36426 0.37966 0.42244 0.43822 0.44216 0.45066 0.46080 0.46200 0.47472 0.48381 0.48693 0.49495 0.51563 0.54620 0.86034 -2.09017321e-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 R38 R39 R40 R41 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 A70 A71 A72 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 D82 D83 D84 D85 3.37983 3.44083 3.09892 3.03768 2.79670 3.10179 2.63215 2.74641 2.78276 1.90910 2.89158 2.89337 2.06636 2.06987 2.06319 2.06642 2.06958 2.06289 2.06709 2.63090 2.61970 2.63605 2.67011 2.84913 2.04714 2.86160 2.06695 2.06685 2.63199 2.04676 2.64230 2.04311 2.06101 2.06941 2.06944 2.06432 2.06643 2.06369 2.06202 2.06199 2.06073 1.80401 1.70990 2.01466 1.83043 2.04003 1.83937 1.99571 2.13934 2.10115 2.19357 2.01669 2.04866 1.91313 1.94020 1.84894 1.96843 1.89277 1.89581 1.92909 1.92826 1.93174 1.89232 1.88104 1.90018 1.92792 1.92474 1.93437 1.89253 1.88332 1.89986 2.13191 2.04642 2.10460 2.07578 2.09039 2.11700 2.10638 2.07896 2.09778 1.87741 1.89068 1.89788 1.94936 1.94770 1.89927 2.08373 2.08725 2.11220 2.04423 2.15178 2.08718 2.10858 2.06489 2.10971 1.93632 1.94149 1.94088 1.88842 1.88752 1.86656 1.93054 1.91790 1.92983 1.89395 1.89557 1.89523 1.94733 1.94699 1.83820 1.92654 1.90087 1.90091 3.14062 -0.00022 1.08179 -1.08203 3.14154 2.97763 -1.12559 1.08698 1.13915 -1.02260 3.02241 0.88271 -2.50122 -0.91185 1.98740 3.10690 -0.27703 0.83249 -2.33276 3.00649 -1.16692 0.89459 -2.32077 1.77435 -0.28196 1.06713 -1.12094 3.10594 -1.09181 1.00268 3.10873 1.07992 -3.10878 -1.00273 -3.10283 -1.00835 1.09770 1.09642 -0.99529 -3.10034 -1.06040 3.13108 1.02603 3.12411 1.03239 -1.07266 3.13106 -0.02156 0.01389 -3.13872 -3.12307 0.01749 -0.00474 3.13581 -0.01114 -3.14158 3.13346 0.00301 -3.14131 -0.00044 -0.00277 3.13811 -0.00741 2.09569 -2.10896 3.13726 -1.04283 1.03571 1.04255 3.13331 -1.05797 -1.02993 1.06083 -3.13045 3.12287 -1.06955 1.02235 -0.00693 3.13942 3.13571 -0.00112 -3.13287 0.00384 0.00949 -3.13699 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00001 0.00002 0.00001 -0.00002 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00003 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 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 0.00001 0.00000 0.00001 -0.00014 -0.00015 0.00009 0.00009 0.00009 -0.00023 -0.00023 -0.00024 0.00006 0.00007 0.00007 -0.00003 0.00004 -0.00005 0.00003 -0.00004 0.00003 0.00001 0.00001 -0.00008 -0.00008 -0.00008 0.00005 0.00005 0.00005 -0.00002 -0.00003 -0.00002 0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00002 0.00003 0.00001 0.00002 -0.00002 -0.00001 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00002 0.00002 0.00002 0.00002 0.00002 0.00003 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00003 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -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 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00006 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00003 -0.00004 -0.00004 -0.00001 -0.00002 -0.00002 0.00004 0.00005 0.00005 0.00002 0.00001 0.00002 0.00000 0.00002 0.00000 0.00007 0.00006 0.00004 0.00004 0.00003 0.00016 0.00016 0.00017 0.00017 0.00018 0.00018 -0.00002 -0.00002 -0.00002 -0.00003 -0.00003 -0.00003 -0.00003 -0.00004 -0.00004 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00012 0.00012 0.00012 0.00010 0.00011 0.00011 -0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00002 -0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00001 0.00002 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 -0.00001 -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 0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00005 -0.00004 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00014 -0.00015 0.00005 0.00005 0.00005 -0.00024 -0.00025 -0.00025 0.00010 0.00011 0.00011 -0.00001 0.00004 -0.00003 0.00003 -0.00002 0.00003 0.00007 0.00008 -0.00005 -0.00005 -0.00005 0.00021 0.00021 0.00022 0.00015 0.00015 0.00016 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00003 -0.00003 -0.00003 -0.00003 0.00002 0.00002 0.00001 0.00002 -0.00002 -0.00001 -0.00002 -0.00000 -0.00000 -0.00001 -0.00001 -0.00002 -0.00002 -0.00000 -0.00001 0.00001 0.00014 0.00014 0.00014 0.00013 0.00013 0.00013 0.00001 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00002 -0.00000 0.00000 0.00002 0.00001 0.00000 -0.00001 3.37983 3.44083 3.09893 3.03768 2.79670 3.10179 2.63216 2.74643 2.78276 1.90909 2.89157 2.89336 2.06635 2.06987 2.06319 2.06642 2.06958 2.06289 2.06709 2.63090 2.61970 2.63605 2.67011 2.84913 2.04714 2.86160 2.06695 2.06685 2.63199 2.04676 2.64230 2.04311 2.06101 2.06941 2.06944 2.06432 2.06644 2.06369 2.06202 2.06198 2.06073 1.80402 1.70991 2.01465 1.83044 2.04003 1.83938 1.99572 2.13929 2.10111 2.19357 2.01670 2.04865 1.91314 1.94019 1.84894 1.96843 1.89278 1.89580 1.92909 1.92827 1.93174 1.89232 1.88104 1.90017 1.92792 1.92475 1.93437 1.89252 1.88331 1.89985 2.13190 2.04643 2.10461 2.07578 2.09039 2.11701 2.10638 2.07897 2.09778 1.87741 1.89068 1.89788 1.94936 1.94771 1.89928 2.08373 2.08725 2.11220 2.04423 2.15178 2.08718 2.10858 2.06488 2.10971 1.93632 1.94149 1.94088 1.88842 1.88752 1.86656 1.93054 1.91790 1.92984 1.89394 1.89557 1.89522 1.94734 1.94698 1.83820 1.92654 1.90087 1.90091 3.14048 -0.00038 1.08184 -1.08198 -3.14159 2.97739 -1.12584 1.08673 1.13925 -1.02249 3.02252 0.88270 -2.50118 -0.91188 1.98743 3.10688 -0.27699 0.83256 -2.33268 3.00644 -1.16697 0.89454 -2.32057 1.77456 -0.28174 1.06727 -1.12079 3.10610 -1.09182 1.00266 3.10871 1.07990 -3.10880 -1.00275 -3.10286 -1.00838 1.09767 1.09640 -0.99532 -3.10036 -1.06042 3.13105 1.02600 3.12408 1.03236 -1.07269 3.13108 -0.02154 0.01391 -3.13871 -3.12309 0.01748 -0.00476 3.13581 -0.01114 -3.14159 3.13345 0.00299 -3.14133 -0.00044 -0.00278 3.13811 -0.00727 2.09583 -2.10882 3.13739 -1.04270 1.03584 1.04255 3.13331 -1.05797 -1.02992 1.06084 -3.13045 3.12287 -1.06955 1.02235 -0.00692 3.13944 3.13571 -0.00112 -3.13285 0.00385 0.00949 -3.13699 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000002 0.001328 0.000327 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.505590e-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 R38 R39 R40 R41 1 1 2 2 2 2 3 4 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 13 13 13 14 14 15 16 17 17 17 18 18 18 19 19 19 15 19 3 4 5 6 10 13 7 21 8 9 20 22 23 24 25 26 27 12 14 12 15 17 28 18 29 30 16 31 16 32 33 34 35 36 37 38 39 40 41 1.7885 1.8208 1.6399 1.6075 1.4799 1.6414 1.3929 1.4533 1.4726 1.0102 1.5302 1.5311 1.0935 1.0953 1.0918 1.0935 1.0952 1.0916 1.0939 1.3922 1.3863 1.3949 1.413 1.5077 1.0833 1.5143 1.0938 1.0937 1.3928 1.0831 1.3982 1.0812 1.0906 1.0951 1.0951 1.0924 1.0935 1.0921 1.0912 1.0912 1.0905 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A70 A71 A72 15 3 3 3 4 4 5 2 2 2 2 7 6 6 6 8 8 9 7 7 7 22 22 23 7 7 7 25 25 26 3 3 12 12 12 15 10 10 11 4 4 4 18 18 29 10 10 16 1 1 11 14 14 15 11 11 11 33 33 34 13 13 13 36 36 37 1 1 1 39 39 40 1 2 2 2 2 2 2 3 4 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 19 4 5 6 5 6 6 10 13 7 21 21 8 9 20 9 20 20 22 23 24 23 24 24 25 26 27 26 27 27 12 14 14 15 17 17 11 28 28 18 29 30 29 30 30 16 31 31 11 16 16 15 32 32 33 34 35 34 35 35 36 37 38 37 38 38 39 40 41 40 41 41 103.3624 97.9698 115.4315 104.8758 116.8853 105.3884 114.346 122.575 120.3868 125.682 115.548 117.3794 109.6143 111.1652 105.9362 112.783 108.4479 108.6219 110.5287 110.4814 110.6804 108.4219 107.7758 108.8723 110.4615 110.2796 110.8313 108.4338 107.9061 108.8537 122.1497 117.2514 120.5849 118.9337 119.7708 121.2953 120.6869 119.1159 120.1942 107.5678 108.328 108.7407 111.6903 111.5953 108.8203 119.3889 119.5907 121.0203 117.1255 123.2877 119.5868 120.813 118.3092 120.8772 110.9427 111.239 111.2041 108.1985 108.1472 106.9461 110.6116 109.8877 110.5713 108.5153 108.6084 108.5886 111.574 111.5545 105.3212 110.3824 108.9119 108.9141 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D81 D82 D83 D84 19 19 15 15 15 4 5 6 3 5 6 3 3 4 4 5 5 2 2 2 2 2 2 2 2 21 21 21 6 6 6 9 9 9 20 20 20 6 6 6 8 8 8 20 20 20 3 3 14 14 3 3 12 12 15 15 17 17 12 12 17 17 12 12 12 15 15 15 4 4 4 29 29 29 30 30 30 10 10 31 31 1 1 11 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 4 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 19 19 19 3 3 3 4 4 4 6 6 6 6 6 6 10 10 13 13 13 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 14 14 14 14 12 12 12 12 15 15 15 15 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 16 16 16 16 16 16 16 11 16 39 40 41 10 10 10 13 13 13 7 21 7 21 7 21 12 14 18 29 30 8 9 20 8 9 20 22 23 24 22 23 24 22 23 24 25 26 27 25 26 27 25 26 27 11 28 11 28 16 31 16 31 10 28 10 28 1 16 1 16 33 34 35 33 34 35 36 37 38 36 37 38 36 37 38 15 32 15 32 14 32 14 179.9441 -0.0129 61.9822 -61.9955 -180.0029 170.6059 -64.4915 62.2795 65.2686 -58.5905 173.1712 50.5757 -143.3093 -52.2451 113.8699 178.0124 -15.8726 47.6979 -133.6574 172.2589 -66.8596 51.2561 -132.9704 101.6628 -16.155 61.1419 -64.2249 177.9573 -62.5559 57.4491 178.117 61.8751 -178.1199 -57.452 -177.7792 -57.7742 62.8937 62.8203 -57.0261 -177.6364 -60.7562 179.3975 58.7871 178.998 59.1517 -61.4586 179.3965 -1.2351 0.7961 -179.8356 -178.9389 1.0018 -0.2718 179.6689 -0.638 -179.9995 179.534 0.1725 -179.9838 -0.0251 -0.1585 179.8002 -0.4243 120.0742 -120.8344 179.7518 -59.7496 59.3417 59.7335 179.5253 -60.6174 -59.0108 60.781 -179.3617 178.9273 -61.2809 58.5764 -0.397 179.8757 179.6631 -0.0642 -179.5004 0.2198 0.5436 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0419428135 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.7667,-.8021,.1601;2.0957,.1129,.8134;.8821,.9492,.1204;3.3093,1.0367,.3275;1.9739,-.1106,2.2635;2.2192,-1.2626,-.0695;2.3817,-1.3526,-1.5146;1.4387,-2.41,-2.0724;3.8323,-1.6187,-1.8973;-.4158,.5044,.141;-2.4021,-.192,1.3209;-1.0745,.2107,1.3265;3.5005,2.3451,.8734;-1.0811,.3973,-1.0655;-3.0794,-.2962,.0963;-2.4084,-.0007,-1.084;-3.0967,-.5026,2.6125;4.9489,2.7346,.6937;-5.2938,-.6849,-1.5549;2.0911,-.3848,-1.9299;2.4499,-2.0918,.457;1.6805,-3.3985,-1.6753;.4054,-2.1852,-1.8101;1.5156,-2.467,-3.1587;4.1728,-2.5766,-1.4976;4.4855,-.8383,-1.5094;3.9508,-1.6553,-2.9809;-.5499,.2989,2.2688;2.8435,3.0495,.357;3.2339,2.3545,1.9333;-.5692,.6327,-1.9897;-2.9068,-.0752,-2.0399;-2.4297,-.3582,3.4604;-3.9697,.1367,2.7601;-3.4491,-1.5361,2.6399;5.2347,2.7319,-.3579;5.1105,3.7405,1.0818;5.6097,2.0562,1.2322;-4.7621,-1.3846,-2.1982;-5.1913,.3276,-1.9429;-6.3493,-.9499,-1.5636; 0.000000 6.953891 0.000000 5.914249 1.628630 0.000000 8.284465 1.600801 2.437618 0.000000 7.094942 1.472228 2.628324 2.616860 0.000000 7.004871 1.639151 2.591520 2.575387 2.613447 0.000000 7.362640 2.765723 3.196942 3.156312 3.997842 1.456971 0.000000 6.787988 3.889020 4.049966 4.597612 4.936938 2.436647 1.522657 0.000000 8.879412 3.655428 4.400993 3.503379 4.799981 2.463664 1.523645 2.527144 0.000000 4.542922 2.629226 1.372168 3.767589 3.254812 3.179576 3.743724 4.102630 5.168012 0.000000 2.703962 4.536506 3.678222 5.925925 4.477035 4.943227 5.680820 5.584381 7.159588 2.412968 0.000000 4.002371 3.212902 2.414234 4.571483 3.205264 3.868853 4.739355 4.973611 6.149513 1.387698 1.387295 0.000000 8.874794 2.638227 3.061334 1.430622 3.208418 3.942924 4.541753 5.961537 4.847494 4.388899 6.440335 5.068747 0.000000 4.065088 3.701762 2.359061 4.650279 4.546767 3.826108 3.905746 3.904311 5.375644 1.381934 2.790569 2.399342 5.342732 0.000000 1.762705 5.240521 4.152747 6.530407 5.501544 5.388585 5.790954 5.439173 7.314073 2.781693 1.403346 2.406273 7.132762 2.413305 0.000000 2.784208 4.888756 3.630498 5.980073 5.515644 4.902712 4.995878 4.645634 6.498196 2.392961 2.412505 2.763099 6.652076 1.385846 1.389458 0.000000 2.982046 5.529588 4.914207 6.973409 5.097701 6.002495 6.911504 6.793848 8.342394 3.782824 1.499067 2.500369 7.393108 4.289560 2.524701 3.793354 0.000000 10.353148 3.876733 4.478330 2.388618 4.405753 4.900189 5.307808 6.814710 5.187597 5.836073 7.936964 6.561432 1.510564 6.702182 8.602157 8.048167 8.882223 0.000000 1.798005 7.800638 6.604485 8.973391 8.229780 7.680215 7.704657 6.969249 9.180210 5.299592 4.107978 5.187239 9.613464 4.376974 2.789458 3.002576 4.714579 11.030129 0.000000 7.181420 2.788115 2.728541 2.932623 4.203980 2.061078 1.092549 2.132461 2.134342 3.371016 5.549196 4.580411 4.158998 3.379589 5.554079 4.594461 6.896449 4.978075 7.400562 0.000000 7.336990 2.261193 3.437856 3.246919 2.723002 1.008959 2.106729 2.742615 2.770855 3.879704 5.281759 4.298699 4.578567 4.580550 5.824754 5.509163 6.159283 5.440154 8.123580 2.956358 0.000000 7.188675 4.323846 4.771199 5.131721 5.139035 2.725912 2.168671 1.092442 2.801329 4.788074 5.993836 5.443079 6.541963 4.733511 5.951451 5.349233 7.042240 7.342332 7.484628 3.052211 2.616509 0.000000 5.704930 3.875660 3.711918 4.835493 4.832979 2.677767 2.164753 1.089457 3.474500 3.422690 4.653817 4.215314 6.107725 3.071353 4.398510 3.635541 5.886896 7.149604 5.898961 2.469270 3.054242 1.765262 0.000000 7.297567 4.771861 4.777527 5.258059 5.929858 3.389553 2.166883 1.090540 2.771012 4.842279 6.371103 5.830651 6.584460 4.396419 6.035051 5.077929 7.644575 7.327132 7.219172 2.485383 3.753350 1.759426 1.769376 0.000000 9.263474 4.109585 5.087018 4.139096 5.006198 2.753637 2.169394 2.798825 1.092361 5.764752 7.540480 6.578659 5.504272 6.052576 7.767573 7.079459 8.604666 5.797728 9.653934 3.053568 2.650282 2.630284 3.800474 3.135609 0.000000 9.401783 3.465793 4.340050 2.876260 4.590472 2.718374 2.165783 3.474273 1.089088 5.343176 7.474440 6.329051 4.096575 5.719353 7.752469 6.957694 8.636749 4.223052 9.780692 2.473017 3.095447 3.801363 4.307174 3.767491 1.766266 0.000000 9.305309 4.578723 5.081130 4.313141 5.813565 3.410078 2.168754 2.775864 1.090712 5.785923 7.810564 6.876701 5.573274 5.762027 7.793558 6.839237 9.070928 5.811240 9.404124 2.485353 3.776570 3.146038 3.771046 2.573070 1.760197 1.766030 0.000000 4.841592 3.025150 2.662538 4.382524 2.556764 3.946385 5.063211 5.489884 6.343275 2.141933 2.137798 1.082092 4.747616 3.377828 3.387145 3.845179 2.692053 6.216921 6.172026 5.007149 4.242254 5.848195 4.870421 6.432352 6.690151 6.397138 7.185684 0.000000 8.531663 3.064542 2.883442 2.066290 3.791764 4.377911 4.805729 6.138537 5.277467 4.140916 6.241152 4.934510 1.092953 4.945720 6.807517 6.242012 7.279461 2.155344 9.155167 4.194100 5.157307 6.860000 6.167853 6.675059 6.071251 4.614650 5.873918 4.768153 0.000000 8.781722 2.752212 3.285191 2.078766 2.788120 4.257295 5.133931 6.478355 5.551376 4.467176 6.214783 4.850394 1.093030 5.607397 7.089338 6.818134 6.978608 2.150001 9.701945 4.871784 4.750109 6.966491 6.528560 7.220061 6.080207 4.859316 6.382950 4.319095 1.766422 0.000000 4.929476 3.902512 2.580555 4.536080 5.010975 3.880036 3.588219 3.646395 4.944789 2.140085 3.872943 3.380987 5.262418 1.082390 3.393420 2.145733 5.371915 6.486090 4.924127 2.848903 4.745997 4.627163 2.987061 3.914232 5.747022 5.286331 5.162105 4.271658 4.795309 5.728786 0.000000 2.971208 5.762047 4.480167 6.743942 6.507006 5.618541 5.465902 4.933082 6.915088 3.361118 3.400497 3.843415 7.443038 2.122679 2.154508 1.080577 4.675821 8.779513 2.510991 5.008685 6.244627 5.676331 3.933920 5.150731 7.528030 7.450522 7.099851 4.925447 6.969525 7.706990 2.442884 0.000000 4.068289 5.263744 4.881907 6.685601 4.570018 5.906804 6.992078 7.055929 8.337039 3.977247 2.146149 2.591061 7.012001 4.782648 3.426883 4.558515 1.088519 8.465448 5.784767 7.035189 5.986300 7.246524 6.257319 7.989086 8.549597 8.529331 9.158754 2.320655 7.003544 6.462704 5.843578 5.528231 0.000000 2.876866 6.370164 5.582871 7.727383 5.969450 6.947496 7.799493 7.686980 9.254439 4.430051 2.153344 3.231546 8.015089 4.800773 2.841805 4.151312 1.092082 9.516373 4.587714 7.681268 7.175103 8.005962 6.739433 8.479430 9.580745 9.522116 9.945063 3.458786 7.789651 7.582486 5.862602 4.920822 1.762762 0.000000 2.902418 6.066279 5.593229 7.592319 5.619834 6.288546 7.161882 6.845474 8.579782 4.428231 2.154683 3.227222 8.153665 4.803721 2.853774 4.160276 1.092247 9.620490 4.660855 7.273454 6.314467 6.957203 5.922982 7.690221 8.734724 8.981238 9.293338 3.451195 8.113935 7.765208 5.867784 4.932434 1.760654 1.756052 0.000000 10.620081 4.252625 4.727745 2.655285 5.058128 5.013232 5.114755 6.617260 4.823255 6.094136 8.347886 6.999967 2.161678 6.770524 8.860007 8.149313 9.417935 1.089765 11.133594 4.697543 5.629128 7.207601 7.043303 6.978942 5.532369 3.825381 5.270300 6.802924 2.515913 3.065188 6.383965 8.774511 9.103322 10.058716 10.129707 0.000000 10.910777 4.724488 5.157028 3.335246 5.105469 5.892030 6.334608 7.826846 6.263306 6.472834 8.482932 7.125562 2.140662 7.356907 9.183732 8.673044 9.365114 1.090153 11.609779 5.933380 6.440819 8.386371 8.100258 8.333026 6.887546 5.298109 6.853092 6.729993 2.478370 2.483478 7.166076 9.411774 8.905675 9.912331 10.175308 1.762221 0.000000 10.816151 4.037331 4.981086 2.673837 4.356345 4.919759 5.439142 6.947225 5.143611 6.317034 8.321649 6.934899 2.158847 7.266190 9.073261 8.595651 9.178999 1.089392 11.583075 5.323269 5.271667 7.324267 7.370781 7.516735 5.565894 4.142188 5.854648 6.488627 3.066671 2.494992 7.112377 9.369042 8.684766 9.888564 9.846208 1.767933 1.763093 0.000000 2.429227 7.638138 6.532962 8.797135 8.179425 7.299634 7.176525 6.286238 8.602886 5.284920 4.401854 5.344827 9.571657 4.243566 3.046436 2.948967 5.166635 10.937789 1.089124 6.930953 7.717731 6.770270 5.243570 6.442312 9.041212 9.289336 8.752112 6.366444 9.167067 9.746089 4.657559 2.276358 6.205968 5.246614 5.015408 10.966659 11.597132 11.453377 0.000000 2.424715 7.793826 6.444403 8.827169 8.320211 7.807331 7.769043 7.174144 9.231306 5.213407 4.324625 5.258436 9.356846 4.203433 3.001249 2.930879 5.082104 10.750375 1.089157 7.317236 8.366701 7.821639 6.136432 7.366898 9.814246 9.756511 9.412080 6.267578 8.789569 9.493040 4.632405 2.321831 6.106797 4.862763 5.245042 10.816402 11.266099 11.389939 1.783561 0.000000 2.344684 8.837276 7.663951 10.040542 9.199261 8.703427 8.740479 7.940013 10.209068 6.342503 4.947280 6.125644 10.668459 5.460533 3.724885 4.081877 5.312127 12.096360 1.088288 8.467279 9.100176 8.395625 6.871220 8.167192 10.647306 10.835590 10.421041 7.062622 10.207433 10.723131 6.007975 3.583748 6.399563 5.053422 5.140412 12.214687 12.661994 12.643986 1.763823 1.765474 0.000000 C13H22NO3PS 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9171,-.1063,.0542;-2.0112,-.4997,.5031;-.929,-.5705,-.7119;-3.3441,-.5489,-.3821;-1.8717,-1.5289,1.5465;-1.9198,1.0387,1.0615;-2.0529,2.256,.2721;-.9575,3.2406,.6582;-3.4439,2.8619,.4116;.4204,-.4474,-.4956;2.4766,-1.1616,.5459;1.1039,-1.2773,.3819;-3.7333,-1.7486,-1.0573;1.1061,.5094,-1.2195;3.1739,-.1933,-.1927;2.478,.6324,-1.0671;3.1971,-2.069,1.497;-5.2217,-1.6973,-1.31;5.4376,1.1333,-1.1396;-1.9056,1.9765,-.7738;-2.0296,1.1407,2.0592;-1.0533,3.5421,1.7038;.0281,2.796,.5249;-1.0144,4.1449,.0514;-3.6418,3.1528,1.4457;-4.2098,2.15,.1073;-3.5449,3.7559,-.2051;.5627,-2.0268,.9442;-3.1834,-1.8257,-1.9987;-3.4815,-2.622,-.4504;.574,1.1523,-1.9088;2.9913,1.3871,-1.6455;2.5076,-2.7634,1.9739;3.9636,-2.6555,.9861;3.6991,-1.5054,2.2865;-5.4935,-.8326,-1.915;-5.5351,-2.593,-1.8466;-5.7793,-1.6529,-.3752;5.0223,2.1162,-.9209;5.1893,.844,-2.1598;6.5209,1.1955,-1.0552; 0.5572704 0.1565020 0.1384598 -88.85355 -77.18053 -19.15961 -19.15021 -19.07843 -14.32312 -10.23548 -10.23212 -10.22074 -10.20461 -10.20297 -10.18802 -10.18062 -10.17602 -10.17094 -10.16772 -10.16559 -10.16499 -10.16423 -7.94032 -6.66234 -5.90434 -5.90010 -5.89422 -4.82488 -4.82427 -4.82260 -1.09865 -1.05120 -0.97643 -0.92181 -0.87740 -0.81081 -0.78585 -0.78123 -0.76846 -0.74385 -0.69892 -0.69685 -0.67575 -0.64787 -0.61514 -0.61273 -0.60871 -0.57124 -0.54363 -0.53482 -0.50291 -0.49021 -0.48499 -0.48220 -0.45666 -0.45290 -0.44647 -0.44368 -0.43628 -0.42875 -0.42478 -0.42074 -0.41985 -0.41376 -0.39841 -0.39771 -0.39627 -0.39063 -0.39016 -0.37737 -0.36532 -0.36276 -0.35735 -0.35160 -0.34851 -0.34270 -0.32409 -0.32235 -0.30180 -0.29337 -0.28317 -0.26744 -0.25635 -0.21025 -0.01683 -0.01088 -0.00691 -0.00026 0.00908 0.01113 0.01464 0.02187 0.02998 0.03296 0.03629 0.03984 0.04354 0.04584 0.04723 0.05153 0.05664 0.06212 0.06264 0.06531 0.06896 0.07066 0.07687 0.07770 0.08191 0.08394 0.08737 0.08843 0.09388 0.09658 0.10097 0.10342 0.10779 0.11212 0.11361 0.11486 0.11660 0.11961 0.12327 0.12554 0.13044 0.13270 0.13786 0.14095 0.14543 0.14879 0.15235 0.15610 0.15715 0.16073 0.16340 0.16843 0.16888 0.17599 0.17776 0.18001 0.18164 0.18556 0.18776 0.18987 0.19441 0.19667 0.19984 0.20215 0.20559 0.20627 0.21322 0.21700 0.22089 0.22267 0.22590 0.22742 0.23034 0.23439 0.23619 0.23965 0.24072 0.24653 0.25072 0.25394 0.25661 0.25784 0.26034 0.26275 0.26605 0.27020 0.27922 0.28019 0.28474 0.28994 0.29336 0.29598 0.30006 0.30250 0.30434 0.31192 0.31595 0.31797 0.32191 0.33107 0.33220 0.34037 0.34510 0.34840 0.35606 0.35975 0.36248 0.36607 0.37457 0.38079 0.38649 0.39155 0.39347 0.39473 0.39785 0.41213 0.41337 0.42072 0.42653 0.43356 0.43783 0.44791 0.45189 0.45797 0.47183 0.47700 0.48554 0.49250 0.50471 0.51212 0.51508 0.51764 0.52925 0.53678 0.54023 0.54619 0.54671 0.55681 0.56035 0.56277 0.56896 0.57768 0.58584 0.59026 0.59780 0.60259 0.60499 0.61379 0.62204 0.63039 0.63545 0.64057 0.64370 0.64989 0.65434 0.66089 0.66553 0.67291 0.67912 0.68851 0.69226 0.69504 0.69914 0.70427 0.70686 0.71128 0.71423 0.72131 0.72185 0.72692 0.73362 0.73580 0.74915 0.75238 0.75378 0.76502 0.76976 0.78089 0.78265 0.78591 0.79251 0.79920 0.80420 0.81641 0.82834 0.84744 0.85671 0.86468 0.87454 0.88827 0.89246 0.90137 0.92028 0.92759 0.93326 0.93509 0.94578 0.95760 0.96777 0.97378 0.99049 1.00078 1.01154 1.01720 1.02773 1.03080 1.04190 1.04498 1.05317 1.05959 1.06397 1.07687 1.08748 1.10007 1.10318 1.11044 1.12057 1.12070 1.12723 1.14854 1.15502 1.17201 1.18555 1.19449 1.19872 1.21183 1.22362 1.24866 1.27201 1.28064 1.28717 1.30186 1.31652 1.32235 1.34683 1.35405 1.36796 1.37838 1.38348 1.41720 1.43626 1.43908 1.45017 1.45919 1.46327 1.46897 1.47692 1.48462 1.48977 1.49804 1.51274 1.52332 1.53387 1.53806 1.54338 1.55086 1.56181 1.56222 1.56987 1.58287 1.58811 1.59361 1.59690 1.60206 1.60469 1.61232 1.62157 1.63189 1.63726 1.64235 1.64727 1.65156 1.65592 1.65768 1.67339 1.69189 1.69381 1.70180 1.71277 1.72418 1.73954 1.74570 1.75551 1.77121 1.78002 1.78367 1.79146 1.80422 1.80732 1.80942 1.81278 1.81688 1.82790 1.84081 1.85578 1.86092 1.88511 1.89468 1.91193 1.91844 1.92309 1.93161 1.95574 1.96910 1.96939 1.97416 1.99313 2.00524 2.00919 2.03169 2.03736 2.04496 2.05036 2.05341 2.05707 2.08069 2.10703 2.11052 2.11454 2.12541 2.13980 2.15688 2.16748 2.18067 2.18679 2.19476 2.20939 2.23538 2.24376 2.26237 2.27022 2.29452 2.30749 2.32004 2.33161 2.34068 2.37445 2.37737 2.40686 2.42045 2.43273 2.44741 2.45629 2.45818 2.46299 2.46599 2.47986 2.48892 2.49342 2.50240 2.52444 2.52567 2.53255 2.53823 2.54319 2.55350 2.55532 2.57637 2.58098 2.58514 2.58924 2.60050 2.60455 2.62425 2.63620 2.64505 2.65261 2.66289 2.69453 2.69768 2.70595 2.71317 2.72350 2.73399 2.73491 2.75613 2.76153 2.77535 2.78557 2.80015 2.81052 2.81863 2.83156 2.84735 2.86232 2.86827 2.88515 2.90320 2.90706 2.91078 2.92325 2.94009 2.94601 2.95103 2.95947 2.97659 2.98436 2.99582 3.01952 3.03413 3.05231 3.08614 3.11042 3.12656 3.13270 3.14536 3.15536 3.19703 3.21497 3.23341 3.25630 3.27275 3.28471 3.30438 3.36070 3.37961 3.40838 3.46404 3.49375 3.58927 3.60316 3.63620 3.65332 3.71001 3.73870 3.74229 3.77233 3.80091 3.80329 3.81008 3.81612 3.82270 3.82936 3.84179 3.85261 3.90568 3.98529 4.04236 4.09408 4.10902 4.18597 4.20171 4.25026 4.34002 4.34976 4.42669 4.84335 4.86308 5.04859 5.09347 5.11539 5.14294 5.15525 5.21940 5.32457 5.54739 5.71444 7.36492 8.01384 14.01161 14.07732 14.19889 17.32635 17.53771 17.55618 23.57838 23.81773 23.87014 23.91156 23.94541 23.95042 23.97752 23.98054 23.98272 24.00190 24.07357 24.12547 24.20875 35.57785 49.92409 49.96445 49.98526 163.48223 189.19241 1-A. -0.0787 3.0425 -2.2953 3.8120 -120.5710 -125.4634 -130.6130 2.7902 0.3992 2.5013 4.9781 0.0857 -5.0639 2.7902 0.3992 2.5013 -20.6662 -1.4360 0.2465 -16.1465 15.8459 -41.9556 -8.2168 12.4604 -8.9041 -34.6955 -7753.7688 -2045.2330 -820.9312 299.8451 -109.2266 24.6234 0.3189 -4.4687 22.1648 -1628.4561 -1462.2029 -479.3551 -6.4099 34.8028 -10.9263 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.7344,-.8112,.0074;2.1474,.1369,.9558;.9503,.9956,.2357;3.3926,1.009,.4335;2.0161,-.0319,2.4203;2.2194,-1.2716,.1161;2.3085,-1.3948,-1.3486;1.2973,-2.4331,-1.8392;3.7407,-1.7069,-1.791;-.3714,.5573,.2025;-2.3526,-.3351,1.2724;-1.024,.0848,1.3379;3.5541,2.3889,.86;-1.0355,.6349,-1.0119;-3.0329,-.2608,.0362;-2.3657,.2294,-1.0905;-3.036,-.8531,2.5125;4.9016,2.8668,.3612;-5.2301,-.5553,-1.7258;2.0241,-.4182,-1.7499;2.4188,-2.0962,.6647;1.528,-3.4201,-1.4241;.2867,-2.1572,-1.5317;1.3254,-2.5145,-2.9293;4.0634,-2.6734,-1.3896;4.4248,-.937,-1.429;3.809,-1.7559,-2.8816;-.483,.0367,2.2752;2.7347,2.9776,.4375;3.4913,2.4291,1.9511;-.5139,1.0101,-1.8838;-2.8673,.2993,-2.0457;-2.3568,-.841,3.3658;-3.9128,-.2473,2.7647;-3.3878,-1.8804,2.3711;4.9536,2.8022,-.728;5.0592,3.9082,.6552;5.7048,2.2602,.785;-4.6323,-1.1619,-2.4079;-5.176,.4977,-2.0069;-6.2689,-.8826,-1.7797; 0.000000 7.011245 0.000000 5.969272 1.639876 0.000000 8.339204 1.607469 2.450334 0.000000 7.210909 1.479949 2.638910 2.631688 0.000000 6.969831 1.641399 2.601044 2.584271 2.624364 0.000000 7.195918 2.771708 3.173168 3.182656 4.018353 1.472574 0.000000 6.513129 3.890993 4.022678 4.626402 4.942198 2.454105 1.530156 0.000000 8.709938 3.671916 4.381489 3.527798 4.849177 2.478081 1.531104 2.549537 0.000000 4.576727 2.662493 1.392874 3.798037 3.311430 3.172514 3.660417 3.986942 5.100002 0.000000 2.738567 4.535794 3.708740 5.959694 4.527099 4.808069 5.451500 5.235038 6.956646 2.422053 0.000000 4.042277 3.194763 2.437654 4.601992 3.229066 3.721831 4.528988 4.671375 5.975115 1.392214 1.394936 0.000000 8.925556 2.656990 3.018354 1.453335 3.265049 3.966663 4.554756 5.969141 4.882421 4.381340 6.517590 5.147409 0.000000 4.100163 3.775090 2.372806 4.673058 4.640724 3.937242 3.926294 3.941962 5.376190 1.386286 2.809534 2.413313 5.257828 0.000000 1.788532 5.276307 4.181399 6.561780 5.588161 5.349244 5.633286 5.194807 7.163168 2.789344 1.412961 2.418558 7.147531 2.426948 0.000000 2.810523 4.956265 3.652648 6.007351 5.620820 4.973147 4.955075 4.589842 6.444202 2.399308 2.429503 2.778203 6.596301 1.392789 1.398246 0.000000 3.026853 5.501924 4.948937 7.008329 5.119174 5.791125 6.615540 6.341229 8.072973 3.798086 1.507694 2.511481 7.527957 4.317065 2.546130 3.821409 0.000000 10.320152 3.923235 4.373799 2.394539 4.579174 4.937732 5.273439 6.776611 5.186359 5.758800 7.981633 6.618640 1.514296 6.489762 8.534874 7.866222 9.026154 0.000000 1.820808 7.880278 6.667126 9.025569 8.364858 7.707225 7.594611 6.793076 9.044673 5.344483 4.161498 5.242869 9.618533 4.418219 2.831861 3.037154 4.781884 10.895821 0.000000 6.994180 2.764809 2.663545 2.945639 4.187976 2.061157 1.093468 2.143823 2.146900 3.240620 5.319435 4.367796 4.127001 3.318861 5.365382 4.485969 6.630316 4.850623 7.255512 0.000000 7.297278 2.268274 3.449628 3.262561 2.739627 1.010250 2.134801 2.764178 2.815938 3.878137 5.122206 4.130657 4.630738 4.711898 5.786519 5.601810 5.891883 5.557739 8.160538 2.966733 0.000000 6.933464 4.324306 4.752618 5.152087 5.147499 2.732407 2.171776 1.095331 2.822351 4.698252 5.643405 5.140556 6.562501 4.815060 5.737187 5.347079 6.551099 7.354835 7.346501 3.059975 2.628480 0.000000 5.421346 3.861691 3.674796 4.851093 4.808848 2.689751 2.168525 1.091794 3.492895 3.287680 4.260141 3.870189 6.087901 3.132725 4.132031 3.595177 5.394094 7.079626 5.747939 2.467793 3.061603 1.774144 0.000000 6.945956 4.774938 4.741247 5.291204 5.937858 3.408610 2.172312 1.093501 2.789568 4.703592 5.994378 5.521319 6.585544 4.378310 5.733077 4.953230 7.169093 7.250919 6.947098 2.504745 3.779831 1.768281 1.777667 0.000000 9.100528 4.131549 5.078867 4.163383 5.067963 2.762699 2.171648 2.812699 1.095176 5.713129 7.329352 6.397505 5.563040 6.089875 7.629568 7.060359 8.303110 5.870443 9.537754 3.061777 2.694094 2.643236 3.814472 3.145202 0.000000 9.271920 3.467964 4.310253 2.884620 4.630079 2.713466 2.166695 3.491106 1.091634 5.281856 7.320709 6.195828 4.130300 5.697360 7.630222 6.898210 8.438325 4.230997 9.666992 2.477003 3.122688 3.815322 4.315444 3.787551 1.774021 0.000000 9.067933 4.590139 5.045867 4.336795 5.856326 3.427494 2.175313 2.802494 1.093857 5.686685 7.565720 6.674556 5.589634 5.716752 7.586822 6.728731 8.761596 5.751459 9.191448 2.501240 3.824241 3.177533 3.793419 2.597290 1.769910 1.777621 0.000000 4.892477 2.944436 2.670786 4.399689 2.504160 3.698138 4.793061 5.118362 6.116651 2.139974 2.153921 1.083299 4.881916 3.386420 3.406396 3.861342 2.714050 6.377019 6.236515 4.763733 3.945033 5.447796 4.460685 6.071744 6.437788 6.225336 6.944568 0.000000 8.386117 2.946765 2.674509 2.075639 3.674933 4.292426 4.742335 6.043618 5.284175 3.944712 6.127940 4.827708 1.093782 4.669436 6.626704 5.991766 7.230534 2.171119 8.977713 4.101354 5.088738 6.771415 6.019645 6.594315 6.085863 4.654499 5.880183 4.730658 0.000000 9.052034 2.837433 3.384404 2.080826 2.907429 4.322114 5.187454 6.543834 5.583213 4.634837 6.500201 5.124415 1.093732 5.700083 7.312138 6.956633 7.327571 2.169905 9.924197 4.894647 4.825361 7.032769 6.590408 7.276648 6.125674 4.860813 6.400852 4.650067 1.778894 0.000000 4.970513 3.988545 2.576094 4.542046 5.100084 4.083697 3.746439 3.890723 5.048948 2.139569 3.892540 3.390481 5.096790 1.083097 3.412741 2.160503 5.399960 6.149413 4.971734 2.915320 4.974337 4.899715 3.285760 4.110850 5.896062 5.328068 5.228140 4.271436 4.451131 5.723774 0.000000 2.989026 5.846698 4.501599 6.770310 6.625878 5.745977 5.490474 4.985213 6.910544 3.369110 3.417243 3.859134 7.351463 2.130025 2.162327 1.081167 4.704676 8.528940 2.532843 4.952581 6.405271 5.791322 4.030636 5.126139 7.569813 7.421833 7.035308 4.942123 6.687503 7.806636 2.463789 0.000000 4.114900 5.201195 4.909942 6.713939 4.546499 5.629182 6.655634 6.555856 8.032566 3.987934 2.153634 2.597294 7.186793 4.804982 3.446686 4.583102 1.090641 8.686793 5.853378 6.748390 5.628306 6.684825 5.718875 7.482512 8.197008 8.305958 8.825215 2.339058 7.005726 6.848011 5.863501 5.553867 0.000000 2.931822 6.336057 5.620497 7.770551 5.942721 6.757778 7.545856 7.288192 9.025521 4.444495 2.160689 3.239010 8.144398 4.828972 2.866855 4.181330 1.095087 9.652368 4.689862 7.460303 6.922181 7.564025 6.304070 8.062271 9.314672 9.358249 9.684102 3.476189 7.746279 7.914882 5.894187 4.952954 1.770516 0.000000 2.922940 6.058952 5.625863 7.620807 5.711447 6.074195 6.820513 6.323097 8.256403 4.443417 2.160265 3.243005 8.288535 4.827438 2.863682 4.180798 1.095100 9.761661 4.683488 6.957596 6.055915 6.398361 5.367460 7.121123 8.384002 8.738771 8.910650 3.481763 8.051329 8.128347 5.892197 4.952804 1.769952 1.759983 0.000000 10.365976 4.220623 4.496507 2.645961 5.154876 4.978377 4.999619 6.481629 4.788788 5.853245 8.199049 6.883546 2.156635 6.375518 8.587736 7.766723 9.364557 1.092391 10.769197 4.471820 5.688520 7.136910 6.857168 6.802696 5.586788 3.840916 5.169537 6.798727 2.512482 3.074950 5.868596 8.316708 9.136396 10.005517 10.055305 0.000000 10.890620 4.774048 5.053885 3.351410 5.282094 5.931750 6.301054 7.783713 6.265089 6.397203 8.562749 7.217278 2.148360 7.116118 9.123858 8.468139 9.573436 1.093510 11.465648 5.806389 6.559348 8.396206 8.021697 8.248712 6.963519 5.312491 6.793684 6.951803 2.513274 2.515024 6.775269 9.118604 9.214055 10.110084 10.382825 1.774191 0.000000 10.909331 4.146352 4.950325 2.652374 4.640522 5.006883 5.426383 6.952651 5.121590 6.337094 8.479050 7.093234 2.155878 7.162547 9.124820 8.530756 9.438088 1.092057 11.567311 5.210267 5.458074 7.388539 7.364469 7.468105 5.635897 4.094154 5.759064 6.741832 3.075197 2.507579 6.881612 9.237924 9.014821 10.134288 10.116052 1.774048 1.774736 0.000000 2.442768 7.678977 6.542889 8.785534 8.293901 7.302650 7.025053 6.090907 8.413373 5.284454 4.407452 5.348400 9.502840 4.256075 3.056796 2.967972 5.182112 10.714240 1.091175 6.730031 7.747985 6.634546 5.094576 6.131548 8.884621 9.112602 8.475408 6.370665 8.916539 9.893930 4.685481 2.319769 6.214222 5.301876 4.990397 10.508340 11.358406 11.347269 0.000000 2.442498 7.908305 6.542881 8.924032 8.462052 7.894937 7.748102 7.107808 9.187737 5.288624 4.406734 5.347692 9.381363 4.260576 3.056620 2.968116 5.179732 10.619801 1.091156 7.262645 8.458511 7.786722 6.092208 7.224458 9.787916 9.724581 9.304504 6.369759 8.643182 9.722096 4.691827 2.317515 6.213377 4.991902 5.293424 10.466850 11.112044 11.370698 1.791828 0.000000 2.356652 8.908306 7.727035 10.090671 9.327614 8.706166 8.603529 7.723657 10.043519 6.386195 4.995296 6.177776 10.684647 5.502787 3.762497 4.116657 5.373651 11.975946 1.090491 8.306031 9.106256 8.207201 6.682963 7.852313 10.493609 10.699585 10.175513 7.124955 10.044021 10.961239 6.059173 3.610865 6.463954 5.158163 5.150349 11.858673 12.538188 12.642159 1.775154 1.775163 0.000000 C13H22NO3PS 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9073,-.1034,-.0064;-2.067,-.5298,.5724;-.9998,-.6539,-.6665;-3.4174,-.4985,-.299;-1.9633,-1.5816,1.6084;-1.8788,.9991,1.1391;-1.8934,2.2253,.3238;-.7099,3.1142,.7116;-3.2389,2.9474,.4354;.3758,-.5302,-.4865;2.4354,-1.0704,.6679;1.0547,-1.207,.5231;-3.8161,-1.6582,-1.0789;1.0623,.2799,-1.3777;3.1391,-.2434,-.2361;2.4426,.4177,-1.2525;3.1483,-1.8047,1.7751;-5.2044,-1.3893,-1.6207;5.4176,1.0222,-1.3435;-1.7569,1.8994,-.711;-1.9615,1.1059,2.1403;-.7923,3.4287,1.7576;.2307,2.5739,.5869;-.6848,4.0155,.093;-3.4148,3.272,1.4665;-4.0516,2.2811,.1399;-3.2586,3.8344,-.2044;.495,-1.8358,1.2048;-3.0884,-1.7984,-1.8834;-3.8005,-2.5395,-.4313;.5187,.7947,-2.1604;2.9606,1.0522,-1.9582;2.4456,-2.3872,2.372;3.9053,-2.4874,1.3751;3.6671,-1.1083,2.4423;-5.2055,-.496,-2.2494;-5.5395,-2.2382,-2.2231;-5.9133,-1.2411,-.8033;4.9514,2.0035,-1.2417;5.2035,.5999,-2.3266;6.497,1.1305,-1.2327; 0.5525995 0.1550678 0.1417253 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= 579 577 578 578 579 MxSgAt= 41 MxSgA2= 41. 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= 566 RedAO= T EigKep= 1.40D-06 NBF= 566 NBsUse= 565 1.00D-06 EigRej= 5.16D-07 NBFU= 565 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= 577 577 577 577 577 MxSgAt= 41 MxSgA2= 41. 1 -3.09780118e-02 1.19700905e+00 -9.03059381e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 16 15 8 8 8 7 6 6 6 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 -0.008145135 -0.003382407 0.005830338 0.002812712 -0.002302889 -0.004600652 0.009792599 0.006566608 -0.001244147 0.002764709 -0.006060821 -0.003866196 -0.001364196 -0.000835888 0.008842429 -0.000610423 -0.001124431 0.005618676 -0.000056356 0.001119455 -0.006939514 -0.003404480 -0.002362974 -0.001787350 0.004530104 0.000272085 -0.001328131 -0.009663590 -0.002358164 -0.000436618 -0.000253957 -0.000708442 0.003349575 0.002061896 0.001306051 0.004873524 0.001294552 0.011079850 0.004297913 0.002182430 0.001306855 -0.005057084 0.001060517 0.000298236 -0.000193889 -0.001631241 0.000112415 -0.006433479 0.000131662 -0.000284815 0.004568754 0.003060512 0.001009242 -0.000402412 -0.003298585 -0.000053786 -0.007130798 -0.000592755 0.001432217 0.001107490 0.000036273 -0.000742630 0.001871045 0.000983370 -0.001544967 0.001260693 -0.001489895 0.000756962 0.000790466 0.000484495 0.000166401 -0.002104712 -0.000111726 -0.001896238 0.001232969 0.000476521 0.001625216 0.001356614 -0.000300651 -0.000096724 -0.002295073 0.001962695 0.000050911 -0.000289954 -0.001773832 -0.000673871 -0.001674416 -0.000868544 -0.002086195 0.000939113 0.001423105 0.000292492 0.000098065 -0.000091018 0.000067886 -0.000446801 0.001257292 0.000231873 0.001167393 -0.001771083 0.001010599 -0.000000690 -0.000877176 -0.001809680 -0.000308384 -0.000403926 -0.000767903 -0.002165969 -0.000019894 0.002421669 0.000983377 0.000376737 -0.002066135 0.000873346 0.001249864 -0.001188000 -0.000765103 0.000516102 0.001772662 -0.000262659 -0.001729682 -0.000552725 0.000672253 0.011079850 0.002991084 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1529.00887042111 -1529.00887209427 -0.000001673164 -1529.00887200309 0.000000091181 -1529.00887214140 -0.000000138314 -1529.00887214248 -0.000000001075 -1529.00887214270 -0.000000000216 -1529.00887214263 0.000000000064 -1529.00887214260 0.000000000034 -1529.00887214274 -0.000000000139 -1529.00887214 9 1.524512276714e+03 -7.236686123237e+03 2.364507068645e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414881798 LenY= 1414538988 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) PT88404.400S 2024-09-20T19:24:33.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 S P O O O N C C C 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 -0.625730 0.190615 -0.137066 -0.179923 -0.082308 -0.426659 0.083462 -0.575850 -0.527239 -0.894700 0.402223 0.487059 -0.067487 -0.069552 -0.028318 0.133542 -0.272879 -0.474919 -0.498134 0.151646 0.301143 0.134419 0.169599 0.140580 0.137804 0.163628 0.138177 0.164022 0.167238 0.188801 0.116109 0.125003 0.145145 0.172035 0.169675 0.143964 0.144011 0.150623 0.178542 0.179996 0.181704 -0.00000 -88.85564 -77.18141 -19.15903 -19.14966 -19.07829 -14.32402 -10.23896 -10.23384 -10.22274 -10.20957 -10.20613 -10.19265 -10.18450 -10.17928 -10.17406 -10.17072 -10.16778 -10.16728 -10.16593 -7.94158 -6.66257 -5.90566 -5.90152 -5.89544 -4.82524 -4.82450 -4.82282 -1.09054 -1.04276 -0.97240 -0.91734 -0.87377 -0.80612 -0.78388 -0.77969 -0.76749 -0.74269 -0.69784 -0.69667 -0.67237 -0.64553 -0.61436 -0.61118 -0.60788 -0.57069 -0.54088 -0.52971 -0.50024 -0.48836 -0.48352 -0.47921 -0.45457 -0.45265 -0.44491 -0.44261 -0.43504 -0.42620 -0.42269 -0.42069 -0.41930 -0.41241 -0.39947 -0.39789 -0.39553 -0.39047 -0.38911 -0.37665 -0.36615 -0.36288 -0.35703 -0.35335 -0.34964 -0.34328 -0.32360 -0.32245 -0.29982 -0.29277 -0.28167 -0.26695 -0.25716 -0.21162 -0.01964 -0.01246 -0.00854 -0.00074 0.00754 0.01204 0.01421 0.02130 0.02929 0.03253 0.03637 0.03983 0.04242 0.04435 0.04689 0.04874 0.05763 0.05991 0.06118 0.06425 0.06800 0.06973 0.07528 0.07814 0.08037 0.08337 0.08487 0.08688 0.09315 0.09543 0.09930 0.10443 0.10697 0.10831 0.11131 0.11246 0.11454 0.11695 0.12119 0.12336 0.12930 0.13139 0.13574 0.13950 0.14405 0.14526 0.14989 0.15407 0.15570 0.15976 0.16312 0.16671 0.16737 0.17258 0.17548 0.17823 0.18069 0.18504 0.18888 0.19177 0.19392 0.19556 0.19715 0.20112 0.20319 0.20722 0.21039 0.21317 0.21852 0.22027 0.22475 0.22527 0.22877 0.23313 0.23557 0.23835 0.24035 0.24516 0.24776 0.25034 0.25423 0.25733 0.26053 0.26387 0.26564 0.26949 0.27473 0.27810 0.28428 0.29114 0.29146 0.29472 0.29978 0.30171 0.30276 0.30719 0.31291 0.31555 0.32060 0.32668 0.33064 0.33428 0.34819 0.34942 0.35750 0.35945 0.36167 0.36770 0.37279 0.37952 0.38388 0.39033 0.39535 0.39593 0.40142 0.40705 0.41315 0.41910 0.42450 0.43174 0.43639 0.44361 0.45407 0.45980 0.46701 0.47937 0.48756 0.49070 0.49859 0.50713 0.51073 0.51419 0.52510 0.53400 0.53891 0.54620 0.55094 0.55456 0.55463 0.55905 0.56355 0.57478 0.58341 0.58761 0.59565 0.59877 0.60496 0.60782 0.62126 0.62517 0.63252 0.63756 0.63975 0.64727 0.65433 0.65842 0.66333 0.67086 0.68021 0.68248 0.68870 0.69125 0.69920 0.70006 0.70664 0.71120 0.71139 0.71780 0.72165 0.72623 0.73558 0.73891 0.74474 0.74970 0.75078 0.76432 0.77112 0.77452 0.78075 0.78704 0.79273 0.79600 0.80695 0.81776 0.83547 0.84861 0.85156 0.86225 0.87581 0.88584 0.88680 0.90708 0.91351 0.92330 0.92845 0.94016 0.94193 0.94819 0.96561 0.97789 0.98688 0.99748 1.00892 1.01412 1.02180 1.02821 1.03954 1.04377 1.04810 1.05956 1.07062 1.08017 1.08369 1.09404 1.10502 1.10620 1.11135 1.12480 1.13330 1.14225 1.15331 1.17142 1.18548 1.19467 1.19795 1.20913 1.22735 1.24940 1.26304 1.27097 1.28840 1.30347 1.30780 1.31828 1.34557 1.35849 1.36689 1.37369 1.39419 1.41250 1.43104 1.43760 1.44954 1.45328 1.46076 1.46354 1.47212 1.47620 1.49588 1.49857 1.51407 1.51974 1.53132 1.53288 1.54441 1.54779 1.55779 1.56423 1.56687 1.57766 1.58207 1.59117 1.59327 1.59543 1.59824 1.60644 1.61849 1.62480 1.63136 1.63783 1.64419 1.64500 1.64939 1.65455 1.66869 1.68237 1.68500 1.69595 1.71136 1.71400 1.73741 1.74533 1.75369 1.76287 1.77338 1.77516 1.78508 1.79555 1.80043 1.80363 1.80748 1.81299 1.82571 1.84129 1.84548 1.85109 1.88208 1.89197 1.90703 1.91400 1.91601 1.92838 1.94595 1.96203 1.96613 1.97272 1.98568 1.99856 2.01351 2.02628 2.03251 2.03875 2.04420 2.05064 2.05538 2.07516 2.09454 2.09659 2.10913 2.11851 2.13247 2.15445 2.15911 2.17146 2.17680 2.18463 2.20428 2.22854 2.23342 2.25476 2.26248 2.29239 2.29921 2.31527 2.33548 2.33791 2.36506 2.37191 2.39345 2.40858 2.42065 2.44485 2.45277 2.45508 2.45698 2.46355 2.47310 2.48346 2.49163 2.50165 2.52165 2.52473 2.52872 2.53450 2.54318 2.55270 2.55630 2.57423 2.58039 2.58276 2.58433 2.59105 2.59825 2.62481 2.63008 2.64191 2.64680 2.65715 2.68360 2.69243 2.69853 2.70455 2.71110 2.72357 2.72974 2.74227 2.75663 2.76683 2.78430 2.79512 2.80804 2.80936 2.83057 2.84701 2.85582 2.85670 2.87602 2.89314 2.89486 2.90132 2.90938 2.93145 2.93722 2.94632 2.94898 2.97826 2.98133 2.99581 3.00830 3.02660 3.04372 3.06577 3.10393 3.11324 3.11787 3.13762 3.14307 3.18115 3.19455 3.21156 3.22957 3.24891 3.26000 3.28273 3.34855 3.36836 3.39609 3.45427 3.47366 3.57386 3.57933 3.62811 3.64114 3.69715 3.72870 3.73497 3.76491 3.78953 3.79583 3.80641 3.81157 3.81288 3.82057 3.83612 3.84626 3.89367 3.97946 4.01978 4.08538 4.09349 4.17670 4.19542 4.23317 4.32084 4.33729 4.41199 4.82231 4.84931 5.05191 5.09031 5.11995 5.13253 5.15571 5.21744 5.31832 5.51394 5.68482 7.35871 7.99634 14.00288 14.07721 14.18685 17.32431 17.52995 17.54395 23.57356 23.80119 23.85454 23.90063 23.92418 23.92869 23.96508 23.96823 23.97462 23.98816 24.04681 24.09965 24.18110 35.56990 49.92277 49.96187 49.98523 163.47598 189.17399 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 39 40 41 S P O O O N C C C 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 -0.650033 0.236716 -0.167059 -0.167602 -0.102079 -0.470511 0.146278 -0.607479 -0.515145 -0.753703 0.167935 0.269628 -0.094398 0.027007 0.180312 0.172833 -0.335618 -0.465061 -0.476439 0.150211 0.308770 0.134303 0.174337 0.141120 0.138965 0.165583 0.138275 0.172871 0.176353 0.187339 0.116716 0.127089 0.147471 0.172367 0.169496 0.143155 0.146078 0.152048 0.179497 0.180952 0.181420 -0.00000 6.31896235e-02 1.26699511e+00 -1.00061617e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.1606 3.2204 -2.5433 4.1067 -121.5848 -128.1582 -128.5618 2.3241 1.0525 2.7952 4.5168 -2.0566 -2.4602 2.3241 1.0525 2.7952 -22.6867 2.5041 -1.1603 -17.1750 13.0264 -49.9858 -3.3444 12.9923 -8.2243 -36.8258 -7644.6460 -1900.3482 -988.6726 294.8599 -113.1690 23.9522 3.9053 -6.2707 21.3757 -1610.0549 -1456.2999 -483.8725 -2.3958 36.9225 -11.4081 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1529.0088721 4.972E-9 2.991E-6 2.6725715,0.9352347,-3.6078062,2.0591823,0.9865802,0.8165597 C01 [X(C13H22N1O3P1S1)] -0.0015418 -0.0180248 -1.6156036 0.000003374 0.000001665 -0.000004451 -0.000004517 -0.000007727 0.000006938 -0.000005764 0.000006509 0.000004538 0.000006682 -0.000009055 -0.000011901 0.000000549 0.000003385 -0.000003524 0.000000266 0.000002934 0.000000079 -0.000001613 -0.000002124 0.000003729 0.000000471 0.000000965 -0.000000470 -0.000002920 0.000000271 0.000001433 0.000006274 -0.000002059 -0.000001994 -0.000000833 -0.000000469 0.000001466 0.000003000 0.000000898 -0.000002185 0.000000888 0.000012722 0.000007316 -0.000003261 -0.000001391 -0.000000843 -0.000009031 -0.000002335 0.000001293 0.000003115 0.000001114 -0.000002221 0.000000899 0.000001535 -0.000001660 -0.000003977 -0.000002905 0.000000457 0.000001601 -0.000001527 0.000006671 0.000001586 0.000000434 -0.000000521 0.000001511 -0.000000138 -0.000000232 0.000000117 -0.000000575 0.000000409 -0.000000078 -0.000000707 0.000000054 -0.000000362 -0.000000516 -0.000000205 0.000000941 -0.000000452 0.000000390 0.000001349 0.000000012 -0.000000202 0.000000901 -0.000000405 0.000000028 -0.000000801 0.000000188 0.000000596 -0.000000063 -0.000000577 -0.000000591 -0.000000368 -0.000000869 -0.000000663 -0.000000015 -0.000000125 -0.000000422 0.000000083 -0.000000273 -0.000000503 -0.000000598 0.000000694 0.000000972 -0.000000605 -0.000000609 0.000000318 0.000000375 -0.000000687 0.000000579 0.000000529 0.000000743 -0.000000377 0.000000433 0.000001328 -0.000000270 0.000000654 0.000000980 0.000000046 0.000000117 -0.000000429 -0.000001324 -0.000000533 -0.000000112 -0.000001478 -0.000000378 -0.000000313 -0.000001277 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.7344,-.8112,.0074;2.1474,.1369,.9558;.9503,.9956,.2357;3.3926,1.009,.4335;2.0161,-.0319,2.4203;2.2194,-1.2716,.1161;2.3085,-1.3948,-1.3486;1.2973,-2.4331,-1.8392;3.7407,-1.7069,-1.791;-.3714,.5573,.2025;-2.3526,-.3351,1.2724;-1.024,.0848,1.3379;3.5541,2.3889,.86;-1.0355,.6349,-1.0119;-3.0329,-.2608,.0362;-2.3657,.2294,-1.0905;-3.036,-.8531,2.5125;4.9016,2.8668,.3612;-5.2301,-.5553,-1.7258;2.0241,-.4182,-1.7499;2.4188,-2.0962,.6647;1.528,-3.4201,-1.4241;.2867,-2.1572,-1.5317;1.3254,-2.5145,-2.9293;4.0634,-2.6734,-1.3896;4.4248,-.937,-1.429;3.809,-1.7559,-2.8816;-.483,.0367,2.2752;2.7347,2.9776,.4375;3.4913,2.4291,1.9511;-.5139,1.0101,-1.8838;-2.8673,.2993,-2.0457;-2.3568,-.841,3.3658;-3.9128,-.2473,2.7647;-3.3878,-1.8804,2.3711;4.9536,2.8022,-.728;5.0592,3.9082,.6552;5.7048,2.2602,.785;-4.6323,-1.1619,-2.4079;-5.176,.4977,-2.0069;-6.2689,-.8826,-1.7797; Gaussian 16 GINC-HAMILTON18 ALCAMI Optimization Fenamiphos CONF72 gas EM64L-G16RevC.01 117 C1[X(C13H22NO3PS)] 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.7344,-.8112,.0074;2.1474,.1369,.9558;.9503,.9956,.2357;3.3926,1.009,.4335;2.0161,-.0319,2.4203;2.2194,-1.2716,.1161;2.3085,-1.3948,-1.3486;1.2973,-2.4331,-1.8392;3.7407,-1.7069,-1.791;-.3714,.5573,.2025;-2.3526,-.3351,1.2724;-1.024,.0848,1.3379;3.5541,2.3889,.86;-1.0355,.6349,-1.0119;-3.0329,-.2608,.0362;-2.3657,.2294,-1.0905;-3.036,-.8531,2.5125;4.9016,2.8668,.3612;-5.2301,-.5553,-1.7258;2.0241,-.4182,-1.7499;2.4188,-2.0962,.6647;1.528,-3.4201,-1.4241;.2867,-2.1572,-1.5317;1.3254,-2.5145,-2.9293;4.0634,-2.6734,-1.3896;4.4248,-.937,-1.429;3.809,-1.7559,-2.8816;-.483,.0367,2.2752;2.7347,2.9776,.4375;3.4913,2.4291,1.9511;-.5139,1.0101,-1.8838;-2.8673,.2993,-2.0457;-2.3568,-.841,3.3658;-3.9128,-.2473,2.7647;-3.3878,-1.8804,2.3711;4.9536,2.8022,-.728;5.0592,3.9082,.6552;5.7048,2.2602,.785;-4.6323,-1.1619,-2.4079;-5.176,.4977,-2.0069;-6.2689,-.8826,-1.7797; Optimization Fenamiphos CONF72 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 39 40 41 32 31 16 16 16 14 12 12 12 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 31.9720718 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 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 0 1 0 0 0 2 0 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 13.6000000 12.9400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 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 (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 R38 R39 R40 R41 1 1 2 2 2 2 3 4 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 13 13 13 14 14 15 16 17 17 17 18 18 18 19 19 19 15 19 3 4 5 6 10 13 7 21 8 9 20 22 23 24 25 26 27 12 14 12 15 17 28 18 29 30 16 31 16 32 33 34 35 36 37 38 39 40 41 1.7885 1.8208 1.6399 1.6075 1.4799 1.6414 1.3929 1.4533 1.4726 1.0102 1.5302 1.5311 1.0935 1.0953 1.0918 1.0935 1.0952 1.0916 1.0939 1.3922 1.3863 1.3949 1.413 1.5077 1.0833 1.5143 1.0938 1.0937 1.3928 1.0831 1.3982 1.0812 1.0906 1.0951 1.0951 1.0924 1.0935 1.0921 1.0912 1.0912 1.0905 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A70 A71 A72 15 3 3 3 4 4 5 2 2 2 2 7 6 6 6 8 8 9 7 7 7 22 22 23 7 7 7 25 25 26 3 3 12 12 12 15 10 10 11 4 4 4 18 18 29 10 10 16 1 1 11 14 14 15 11 11 11 33 33 34 13 13 13 36 36 37 1 1 1 39 39 40 1 2 2 2 2 2 2 3 4 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 18 18 18 19 19 19 19 19 19 19 4 5 6 5 6 6 10 13 7 21 21 8 9 20 9 20 20 22 23 24 23 24 24 25 26 27 26 27 27 12 14 14 15 17 17 11 28 28 18 29 30 29 30 30 16 31 31 11 16 16 15 32 32 33 34 35 34 35 35 36 37 38 37 38 38 39 40 41 40 41 41 103.3624 97.9698 115.4315 104.8758 116.8853 105.3884 114.346 122.575 120.3868 125.682 115.548 117.3794 109.6143 111.1652 105.9362 112.783 108.4479 108.6219 110.5287 110.4814 110.6804 108.4219 107.7758 108.8723 110.4615 110.2796 110.8313 108.4338 107.9061 108.8537 122.1497 117.2514 120.5849 118.9337 119.7708 121.2953 120.6869 119.1159 120.1942 107.5678 108.328 108.7407 111.6903 111.5953 108.8203 119.3889 119.5907 121.0203 117.1255 123.2877 119.5868 120.813 118.3092 120.8772 110.9427 111.239 111.2041 108.1985 108.1472 106.9461 110.6116 109.8877 110.5713 108.5153 108.6084 108.5886 111.574 111.5545 105.3212 110.3824 108.9119 108.9141 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D82 D83 D84 D85 19 19 15 15 15 4 5 6 3 5 6 3 3 4 4 5 5 2 2 2 2 2 2 2 2 21 21 21 6 6 6 9 9 9 20 20 20 6 6 6 8 8 8 20 20 20 3 3 14 14 3 3 12 12 15 15 17 17 12 12 17 17 12 12 12 15 15 15 4 4 4 29 29 29 30 30 30 10 10 31 31 1 1 11 11 1 1 1 1 1 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 4 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 19 19 19 3 3 3 4 4 4 6 6 6 6 6 6 10 10 13 13 13 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 12 12 12 12 14 14 14 14 12 12 12 12 15 15 15 15 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 16 16 16 16 16 16 16 16 11 16 39 40 41 10 10 10 13 13 13 7 21 7 21 7 21 12 14 18 29 30 8 9 20 8 9 20 22 23 24 22 23 24 22 23 24 25 26 27 25 26 27 25 26 27 11 28 11 28 16 31 16 31 10 28 10 28 1 16 1 16 33 34 35 33 34 35 36 37 38 36 37 38 36 37 38 15 32 15 32 14 32 14 32 179.9441 -0.0129 61.9822 -61.9955 179.9971 170.6059 -64.4915 62.2795 65.2686 -58.5905 173.1712 50.5757 -143.3093 -52.2451 113.8699 178.0124 -15.8726 47.6979 -133.6574 172.2589 -66.8596 51.2561 -132.9704 101.6628 -16.155 61.1419 -64.2249 177.9573 -62.5559 57.4491 178.117 61.8751 -178.1199 -57.452 -177.7792 -57.7742 62.8937 62.8203 -57.0261 -177.6364 -60.7562 179.3975 58.7871 178.998 59.1517 -61.4586 179.3965 -1.2351 0.7961 -179.8356 -178.9389 1.0018 -0.2718 179.6689 -0.638 -179.9995 179.534 0.1725 -179.9838 -0.0251 -0.1585 179.8002 -0.4243 120.0742 -120.8344 179.7518 -59.7496 59.3417 59.7335 179.5253 -60.6174 -59.0108 60.781 -179.3617 178.9273 -61.2809 58.5764 -0.397 179.8757 179.6631 -0.0642 -179.5004 0.2198 0.5436 -179.7362 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00092 0.00140 0.00158 0.00194 0.00271 0.00272 0.00278 0.00351 0.00359 0.00496 0.00581 0.00677 0.01270 0.01561 0.01696 0.01750 0.02090 0.02178 0.02445 0.02506 0.02659 0.02727 0.03874 0.04367 0.04444 0.04480 0.04510 0.04585 0.04626 0.04681 0.05058 0.05467 0.05656 0.05899 0.06222 0.07924 0.08095 0.09049 0.09508 0.10032 0.10703 0.10936 0.11833 0.12017 0.12144 0.12200 0.12317 0.12370 0.12418 0.12570 0.12663 0.12799 0.13218 0.13349 0.13504 0.13642 0.14040 0.14516 0.14618 0.14696 0.15051 0.15204 0.15328 0.16314 0.16540 0.16974 0.18516 0.18718 0.18903 0.19440 0.20456 0.21305 0.21521 0.22107 0.22812 0.23965 0.25837 0.28019 0.28558 0.28787 0.30138 0.30715 0.31301 0.32144 0.32496 0.32680 0.32759 0.32858 0.33073 0.33374 0.33454 0.33520 0.33534 0.33569 0.33596 0.33865 0.34037 0.34151 0.34237 0.34317 0.34566 0.34603 0.34855 0.35326 0.35887 0.35993 0.36373 0.38610 0.39115 0.41724 0.44544 0.45915 0.46488 0.46679 0.48273 0.51092 0.62468 Angle between quadratic step and forces= 72.72 degrees. 1 2 0.00127012 0.00000046 0.00000022 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 R38 R39 R40 R41 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 A70 A71 A72 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 D82 D83 D84 D85 3.37983 3.44083 3.09892 3.03768 2.79670 3.10179 2.63215 2.74641 2.78276 1.90910 2.89158 2.89337 2.06636 2.06987 2.06319 2.06642 2.06958 2.06289 2.06709 2.63090 2.61970 2.63605 2.67011 2.84913 2.04714 2.86160 2.06695 2.06685 2.63199 2.04676 2.64230 2.04311 2.06101 2.06941 2.06944 2.06432 2.06643 2.06369 2.06202 2.06199 2.06073 1.80401 1.70990 2.01466 1.83043 2.04003 1.83937 1.99571 2.13934 2.10115 2.19357 2.01669 2.04866 1.91313 1.94020 1.84894 1.96843 1.89277 1.89581 1.92909 1.92826 1.93174 1.89232 1.88104 1.90018 1.92792 1.92474 1.93437 1.89253 1.88332 1.89986 2.13191 2.04642 2.10460 2.07578 2.09039 2.11700 2.10638 2.07896 2.09778 1.87741 1.89068 1.89788 1.94936 1.94770 1.89927 2.08373 2.08725 2.11220 2.04423 2.15178 2.08718 2.10858 2.06489 2.10971 1.93632 1.94149 1.94088 1.88842 1.88752 1.86656 1.93054 1.91790 1.92983 1.89395 1.89557 1.89523 1.94733 1.94699 1.83820 1.92654 1.90087 1.90091 3.14062 -0.00022 1.08179 -1.08203 3.14154 2.97763 -1.12559 1.08698 1.13915 -1.02260 3.02241 0.88271 -2.50122 -0.91185 1.98740 3.10690 -0.27703 0.83249 -2.33276 3.00649 -1.16692 0.89459 -2.32077 1.77435 -0.28196 1.06713 -1.12094 3.10594 -1.09181 1.00268 3.10873 1.07992 -3.10878 -1.00273 -3.10283 -1.00835 1.09770 1.09642 -0.99529 -3.10034 -1.06040 3.13108 1.02603 3.12411 1.03239 -1.07266 3.13106 -0.02156 0.01389 -3.13872 -3.12307 0.01749 -0.00474 3.13581 -0.01114 -3.14158 3.13346 0.00301 -3.14131 -0.00044 -0.00277 3.13811 -0.00741 2.09569 -2.10896 3.13726 -1.04283 1.03571 1.04255 3.13331 -1.05797 -1.02993 1.06083 -3.13045 3.12287 -1.06955 1.02235 -0.00693 3.13942 3.13571 -0.00112 -3.13287 0.00384 0.00949 -3.13699 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00002 0.00003 0.00002 -0.00000 -0.00002 -0.00002 0.00007 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 -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 0.00001 0.00002 -0.00002 0.00001 -0.00004 0.00003 0.00001 -0.00004 -0.00014 0.00008 0.00001 0.00001 0.00004 -0.00004 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00002 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00002 -0.00002 0.00001 0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00007 -0.00008 0.00001 0.00001 0.00001 -0.00066 -0.00071 -0.00070 0.00042 0.00046 0.00045 -0.00032 0.00014 -0.00035 0.00011 -0.00033 0.00013 -0.00036 -0.00031 -0.00033 -0.00033 -0.00034 0.00080 0.00081 0.00084 0.00033 0.00034 0.00037 -0.00002 -0.00002 -0.00003 -0.00005 -0.00004 -0.00005 -0.00006 -0.00006 -0.00007 -0.00004 -0.00004 -0.00005 -0.00006 -0.00006 -0.00007 -0.00005 -0.00006 -0.00006 0.00009 0.00013 0.00004 0.00008 -0.00009 -0.00006 -0.00004 -0.00001 -0.00001 -0.00004 -0.00003 -0.00007 -0.00005 -0.00003 -0.00002 -0.00000 0.00035 0.00035 0.00035 0.00032 0.00032 0.00032 -0.00003 -0.00003 -0.00004 -0.00000 -0.00001 -0.00002 -0.00004 -0.00005 -0.00005 0.00000 0.00002 -0.00003 -0.00001 0.00005 0.00003 0.00003 0.00002 -0.00003 -0.00002 0.00003 0.00002 -0.00000 -0.00002 -0.00002 0.00007 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 -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 0.00001 0.00002 -0.00002 0.00001 -0.00004 0.00003 0.00001 -0.00004 -0.00014 0.00008 0.00001 0.00001 0.00004 -0.00004 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00002 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00002 -0.00002 0.00001 0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00002 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00007 -0.00008 0.00001 0.00001 0.00001 -0.00066 -0.00071 -0.00070 0.00042 0.00046 0.00045 -0.00032 0.00014 -0.00035 0.00011 -0.00033 0.00013 -0.00036 -0.00031 -0.00033 -0.00033 -0.00034 0.00080 0.00081 0.00084 0.00033 0.00034 0.00037 -0.00002 -0.00002 -0.00003 -0.00005 -0.00004 -0.00005 -0.00006 -0.00006 -0.00007 -0.00004 -0.00004 -0.00005 -0.00006 -0.00006 -0.00007 -0.00005 -0.00006 -0.00006 0.00009 0.00013 0.00004 0.00008 -0.00009 -0.00006 -0.00004 -0.00001 -0.00001 -0.00004 -0.00003 -0.00007 -0.00005 -0.00003 -0.00002 -0.00000 0.00035 0.00035 0.00035 0.00032 0.00032 0.00032 -0.00003 -0.00003 -0.00004 -0.00000 -0.00001 -0.00002 -0.00004 -0.00005 -0.00005 0.00000 0.00002 -0.00003 -0.00001 0.00005 0.00003 0.00003 0.00002 3.37981 3.44080 3.09895 3.03770 2.79669 3.10177 2.63213 2.74647 2.78275 1.90909 2.89159 2.89336 2.06635 2.06988 2.06319 2.06642 2.06959 2.06289 2.06709 2.63090 2.61971 2.63605 2.67011 2.84913 2.04714 2.86159 2.06695 2.06685 2.63198 2.04676 2.64231 2.04311 2.06101 2.06941 2.06944 2.06432 2.06644 2.06369 2.06203 2.06199 2.06073 1.80402 1.70991 2.01464 1.83044 2.03999 1.83941 1.99572 2.13930 2.10100 2.19364 2.01670 2.04866 1.91317 1.94016 1.84895 1.96843 1.89278 1.89580 1.92908 1.92827 1.93174 1.89232 1.88105 1.90017 1.92792 1.92477 1.93438 1.89252 1.88330 1.89984 2.13192 2.04643 2.10459 2.07579 2.09039 2.11700 2.10640 2.07897 2.09777 1.87741 1.89066 1.89786 1.94937 1.94772 1.89929 2.08374 2.08725 2.11220 2.04423 2.15178 2.08717 2.10859 2.06488 2.10970 1.93632 1.94150 1.94087 1.88841 1.88752 1.86656 1.93055 1.91790 1.92984 1.89394 1.89557 1.89522 1.94735 1.94700 1.83821 1.92652 1.90086 1.90090 3.14055 -0.00031 1.08180 -1.08202 3.14155 2.97697 -1.12630 1.08628 1.13958 -1.02214 3.02286 0.88239 -2.50108 -0.91220 1.98751 3.10657 -0.27690 0.83213 -2.33307 3.00616 -1.16725 0.89425 -2.31997 1.77516 -0.28112 1.06746 -1.12060 3.10631 -1.09183 1.00266 3.10870 1.07988 -3.10882 -1.00278 -3.10290 -1.00841 1.09763 1.09638 -0.99534 -3.10039 -1.06045 3.13101 1.02596 3.12405 1.03233 -1.07272 3.13115 -0.02143 0.01394 -3.13864 -3.12316 0.01743 -0.00479 3.13580 -0.01114 3.14156 3.13342 0.00294 -3.14136 -0.00047 -0.00279 3.13810 -0.00706 2.09604 -2.10861 3.13758 -1.04250 1.03603 1.04252 3.13328 -1.05801 -1.02994 1.06082 -3.13047 3.12283 -1.06960 1.02230 -0.00693 3.13944 3.13568 -0.00113 -3.13282 0.00387 0.00952 -3.13697 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000013 0.000002 0.004482 0.001270 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -8.947579e-09 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 585 A 566 A 566 888 585 81 81 1818.7001199352 41 41 41 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 -0.0422141998 0.000000 7.011245 0.000000 5.969272 1.639876 0.000000 8.339204 1.607469 2.450334 0.000000 7.210909 1.479949 2.638910 2.631688 0.000000 6.969831 1.641399 2.601044 2.584271 2.624364 0.000000 7.195918 2.771708 3.173168 3.182656 4.018353 1.472574 0.000000 6.513129 3.890993 4.022678 4.626402 4.942198 2.454105 1.530156 0.000000 8.709938 3.671916 4.381489 3.527798 4.849177 2.478081 1.531104 2.549537 0.000000 4.576727 2.662493 1.392874 3.798037 3.311430 3.172514 3.660417 3.986942 5.100002 0.000000 2.738567 4.535794 3.708740 5.959694 4.527099 4.808069 5.451500 5.235038 6.956646 2.422053 0.000000 4.042277 3.194763 2.437654 4.601992 3.229066 3.721831 4.528988 4.671375 5.975115 1.392214 1.394936 0.000000 8.925556 2.656990 3.018354 1.453335 3.265049 3.966663 4.554756 5.969141 4.882421 4.381340 6.517590 5.147409 0.000000 4.100163 3.775090 2.372806 4.673058 4.640724 3.937242 3.926294 3.941962 5.376190 1.386286 2.809534 2.413313 5.257828 0.000000 1.788532 5.276307 4.181399 6.561780 5.588161 5.349244 5.633286 5.194807 7.163168 2.789344 1.412961 2.418558 7.147531 2.426948 0.000000 2.810523 4.956265 3.652648 6.007351 5.620820 4.973147 4.955075 4.589842 6.444202 2.399308 2.429503 2.778203 6.596301 1.392789 1.398246 0.000000 3.026853 5.501924 4.948937 7.008329 5.119174 5.791125 6.615540 6.341229 8.072973 3.798086 1.507694 2.511481 7.527957 4.317065 2.546130 3.821409 0.000000 10.320152 3.923235 4.373799 2.394539 4.579174 4.937732 5.273439 6.776611 5.186359 5.758800 7.981633 6.618640 1.514296 6.489762 8.534874 7.866222 9.026154 0.000000 1.820808 7.880278 6.667126 9.025569 8.364858 7.707225 7.594611 6.793076 9.044673 5.344483 4.161498 5.242869 9.618533 4.418219 2.831861 3.037154 4.781884 10.895821 0.000000 6.994180 2.764809 2.663545 2.945639 4.187976 2.061157 1.093468 2.143823 2.146900 3.240620 5.319435 4.367796 4.127001 3.318861 5.365382 4.485969 6.630316 4.850623 7.255512 0.000000 7.297278 2.268274 3.449628 3.262561 2.739627 1.010250 2.134801 2.764178 2.815938 3.878137 5.122206 4.130657 4.630738 4.711898 5.786519 5.601810 5.891883 5.557739 8.160538 2.966733 0.000000 6.933464 4.324306 4.752618 5.152087 5.147499 2.732407 2.171776 1.095331 2.822351 4.698252 5.643405 5.140556 6.562501 4.815060 5.737187 5.347079 6.551099 7.354835 7.346501 3.059975 2.628480 0.000000 5.421346 3.861691 3.674796 4.851093 4.808848 2.689751 2.168525 1.091794 3.492895 3.287680 4.260141 3.870189 6.087901 3.132725 4.132031 3.595177 5.394094 7.079626 5.747939 2.467793 3.061603 1.774144 0.000000 6.945956 4.774938 4.741247 5.291204 5.937858 3.408610 2.172312 1.093501 2.789568 4.703592 5.994378 5.521319 6.585544 4.378310 5.733077 4.953230 7.169093 7.250919 6.947098 2.504745 3.779831 1.768281 1.777667 0.000000 9.100528 4.131549 5.078867 4.163383 5.067963 2.762699 2.171648 2.812699 1.095176 5.713129 7.329352 6.397505 5.563040 6.089875 7.629568 7.060359 8.303110 5.870443 9.537754 3.061777 2.694094 2.643236 3.814472 3.145202 0.000000 9.271920 3.467964 4.310253 2.884620 4.630079 2.713466 2.166695 3.491106 1.091634 5.281856 7.320709 6.195828 4.130300 5.697360 7.630222 6.898210 8.438325 4.230997 9.666992 2.477003 3.122688 3.815322 4.315444 3.787551 1.774021 0.000000 9.067933 4.590139 5.045867 4.336795 5.856326 3.427494 2.175313 2.802494 1.093857 5.686685 7.565720 6.674556 5.589634 5.716752 7.586822 6.728731 8.761596 5.751459 9.191448 2.501240 3.824241 3.177533 3.793419 2.597290 1.769910 1.777621 0.000000 4.892477 2.944436 2.670786 4.399689 2.504160 3.698138 4.793061 5.118362 6.116651 2.139974 2.153921 1.083299 4.881916 3.386420 3.406396 3.861342 2.714050 6.377019 6.236515 4.763733 3.945033 5.447796 4.460685 6.071744 6.437788 6.225336 6.944568 0.000000 8.386117 2.946765 2.674509 2.075639 3.674933 4.292426 4.742335 6.043618 5.284175 3.944712 6.127940 4.827708 1.093782 4.669436 6.626704 5.991766 7.230534 2.171119 8.977713 4.101354 5.088738 6.771415 6.019645 6.594315 6.085863 4.654499 5.880183 4.730658 0.000000 9.052034 2.837433 3.384404 2.080826 2.907429 4.322114 5.187454 6.543834 5.583213 4.634837 6.500201 5.124415 1.093732 5.700083 7.312138 6.956633 7.327571 2.169905 9.924197 4.894647 4.825361 7.032769 6.590408 7.276648 6.125674 4.860813 6.400852 4.650067 1.778894 0.000000 4.970513 3.988545 2.576094 4.542046 5.100084 4.083697 3.746439 3.890723 5.048948 2.139569 3.892540 3.390481 5.096790 1.083097 3.412741 2.160503 5.399960 6.149413 4.971734 2.915320 4.974337 4.899715 3.285760 4.110850 5.896062 5.328068 5.228140 4.271436 4.451131 5.723774 0.000000 2.989026 5.846698 4.501599 6.770310 6.625878 5.745977 5.490474 4.985213 6.910544 3.369110 3.417243 3.859134 7.351463 2.130025 2.162327 1.081167 4.704676 8.528940 2.532843 4.952581 6.405271 5.791322 4.030636 5.126139 7.569813 7.421833 7.035308 4.942123 6.687503 7.806636 2.463789 0.000000 4.114900 5.201195 4.909942 6.713939 4.546499 5.629182 6.655634 6.555856 8.032566 3.987934 2.153634 2.597294 7.186793 4.804982 3.446686 4.583102 1.090641 8.686793 5.853378 6.748390 5.628306 6.684825 5.718875 7.482512 8.197008 8.305958 8.825215 2.339058 7.005726 6.848011 5.863501 5.553867 0.000000 2.931822 6.336057 5.620497 7.770551 5.942721 6.757778 7.545856 7.288192 9.025521 4.444495 2.160689 3.239010 8.144398 4.828972 2.866855 4.181330 1.095087 9.652368 4.689862 7.460303 6.922181 7.564025 6.304070 8.062271 9.314672 9.358249 9.684102 3.476189 7.746279 7.914882 5.894187 4.952954 1.770516 0.000000 2.922940 6.058952 5.625863 7.620807 5.711447 6.074195 6.820513 6.323097 8.256403 4.443417 2.160265 3.243005 8.288535 4.827438 2.863682 4.180798 1.095100 9.761661 4.683488 6.957596 6.055915 6.398361 5.367460 7.121123 8.384002 8.738771 8.910650 3.481763 8.051329 8.128347 5.892197 4.952804 1.769952 1.759983 0.000000 10.365976 4.220623 4.496507 2.645961 5.154876 4.978377 4.999619 6.481629 4.788788 5.853245 8.199049 6.883546 2.156635 6.375518 8.587736 7.766723 9.364557 1.092391 10.769197 4.471820 5.688520 7.136910 6.857168 6.802696 5.586788 3.840916 5.169537 6.798727 2.512482 3.074950 5.868596 8.316708 9.136396 10.005517 10.055305 0.000000 10.890620 4.774048 5.053885 3.351410 5.282094 5.931750 6.301054 7.783713 6.265089 6.397203 8.562749 7.217278 2.148360 7.116118 9.123858 8.468139 9.573436 1.093510 11.465648 5.806389 6.559348 8.396206 8.021697 8.248712 6.963519 5.312491 6.793684 6.951803 2.513274 2.515024 6.775269 9.118604 9.214055 10.110084 10.382825 1.774191 0.000000 10.909331 4.146352 4.950325 2.652374 4.640522 5.006883 5.426383 6.952651 5.121590 6.337094 8.479050 7.093234 2.155878 7.162547 9.124820 8.530756 9.438088 1.092057 11.567311 5.210267 5.458074 7.388539 7.364469 7.468105 5.635897 4.094154 5.759064 6.741832 3.075197 2.507579 6.881612 9.237924 9.014821 10.134288 10.116052 1.774048 1.774736 0.000000 2.442768 7.678977 6.542889 8.785534 8.293901 7.302650 7.025053 6.090907 8.413373 5.284454 4.407452 5.348400 9.502840 4.256075 3.056796 2.967972 5.182112 10.714240 1.091175 6.730031 7.747985 6.634546 5.094576 6.131548 8.884621 9.112602 8.475408 6.370665 8.916539 9.893930 4.685481 2.319769 6.214222 5.301876 4.990397 10.508340 11.358406 11.347269 0.000000 2.442498 7.908305 6.542881 8.924032 8.462052 7.894937 7.748102 7.107808 9.187737 5.288624 4.406734 5.347692 9.381363 4.260576 3.056620 2.968116 5.179732 10.619801 1.091156 7.262645 8.458511 7.786722 6.092208 7.224458 9.787916 9.724581 9.304504 6.369759 8.643182 9.722096 4.691827 2.317515 6.213377 4.991902 5.293424 10.466850 11.112044 11.370698 1.791828 0.000000 2.356652 8.908306 7.727035 10.090671 9.327614 8.706166 8.603529 7.723657 10.043519 6.386195 4.995296 6.177776 10.684647 5.502787 3.762497 4.116657 5.373651 11.975946 1.090491 8.306031 9.106256 8.207201 6.682963 7.852313 10.493609 10.699585 10.175513 7.124955 10.044021 10.961239 6.059173 3.610865 6.463954 5.158163 5.150349 11.858673 12.538188 12.642159 1.775154 1.775163 0.000000 C13H22NO3PS 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9073,-.1034,-.0064;-2.067,-.5298,.5724;-.9998,-.6539,-.6665;-3.4174,-.4985,-.299;-1.9633,-1.5816,1.6084;-1.8788,.9991,1.1391;-1.8934,2.2253,.3238;-.7099,3.1142,.7116;-3.2389,2.9474,.4354;.3758,-.5302,-.4865;2.4354,-1.0704,.6679;1.0547,-1.207,.5231;-3.8161,-1.6582,-1.0789;1.0623,.2799,-1.3777;3.1391,-.2434,-.2361;2.4426,.4177,-1.2525;3.1483,-1.8047,1.7751;-5.2044,-1.3893,-1.6207;5.4176,1.0222,-1.3435;-1.7569,1.8994,-.711;-1.9615,1.1059,2.1403;-.7923,3.4287,1.7576;.2307,2.5739,.5869;-.6848,4.0155,.093;-3.4148,3.272,1.4665;-4.0516,2.2811,.1399;-3.2586,3.8344,-.2044;.495,-1.8358,1.2048;-3.0884,-1.7984,-1.8834;-3.8005,-2.5395,-.4313;.5187,.7947,-2.1604;2.9606,1.0522,-1.9582;2.4456,-2.3872,2.372;3.9053,-2.4874,1.3751;3.6671,-1.1083,2.4423;-5.2055,-.496,-2.2494;-5.5395,-2.2382,-2.2231;-5.9133,-1.2411,-.8033;4.9514,2.0035,-1.2417;5.2035,.5999,-2.3266;6.497,1.1305,-1.2327; 0.5525995 0.1550678 0.1417253 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= 566 RedAO= T EigKep= 1.40D-06 NBF= 566 NBsUse= 565 1.00D-06 EigRej= 5.16D-07 NBFU= 565 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= 577 576 576 577 577 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1529.00887214277 -1529.00887214260 0.000000000169 -1529.00887214 2 1.524512276817e+03 -7.236686123176e+03 2.364507068482e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414881798 LenY= 1414538988 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= 41. Will process 42 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111 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. 12709 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= 780000000 NMat= 123 IRICut= 307 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= 123 NMatS0= 123 NMatT0= 0 NMatD0= 123 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 76.63% of shell-pairs survive, threshold= 0.20 IRatSp=77. There are 126 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 123 vectors produced by pass 0 Test12= 3.92D-14 1.00D-09 XBig12= 2.45D+02 8.45D+00. AX will form 123 AO Fock derivatives at one time. 123 vectors produced by pass 1 Test12= 3.92D-14 1.00D-09 XBig12= 5.28D+01 1.73D+00. 123 vectors produced by pass 2 Test12= 3.92D-14 1.00D-09 XBig12= 5.70D-01 1.21D-01. 123 vectors produced by pass 3 Test12= 3.92D-14 1.00D-09 XBig12= 2.59D-03 4.56D-03. 123 vectors produced by pass 4 Test12= 3.92D-14 1.00D-09 XBig12= 7.69D-06 2.76D-04. 101 vectors produced by pass 5 Test12= 3.92D-14 1.00D-09 XBig12= 1.22D-08 1.29D-05. 26 vectors produced by pass 6 Test12= 3.92D-14 1.00D-09 XBig12= 1.35D-11 2.96D-07. 3 vectors produced by pass 7 Test12= 3.92D-14 1.00D-09 XBig12= 1.44D-14 9.38D-09. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 745 with 126 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 217.52 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 279.304 9.337 191.270 4.951 -18.667 181.993 356.341 14.356 278.976 10.174 -42.428 294.479 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT52671.900S 2024-09-20T22:15:10.000 -88.85564 -77.18141 -19.15903 -19.14966 -19.07829 -14.32402 -10.23896 -10.23384 -10.22274 -10.20957 -10.20613 -10.19265 -10.18450 -10.17928 -10.17406 -10.17072 -10.16778 -10.16728 -10.16593 -7.94158 -6.66257 -5.90566 -5.90152 -5.89544 -4.82524 -4.82450 -4.82282 -1.09054 -1.04276 -0.97240 -0.91734 -0.87377 -0.80612 -0.78388 -0.77969 -0.76749 -0.74269 -0.69784 -0.69667 -0.67237 -0.64553 -0.61436 -0.61118 -0.60788 -0.57069 -0.54088 -0.52971 -0.50024 -0.48836 -0.48352 -0.47921 -0.45457 -0.45265 -0.44491 -0.44261 -0.43504 -0.42620 -0.42269 -0.42069 -0.41930 -0.41241 -0.39947 -0.39789 -0.39553 -0.39047 -0.38911 -0.37665 -0.36615 -0.36288 -0.35703 -0.35335 -0.34964 -0.34328 -0.32360 -0.32245 -0.29982 -0.29277 -0.28167 -0.26695 -0.25716 -0.21162 -0.01964 -0.01246 -0.00854 -0.00074 0.00754 0.01204 0.01421 0.02130 0.02929 0.03253 0.03637 0.03983 0.04242 0.04435 0.04689 0.04874 0.05763 0.05991 0.06118 0.06425 0.06800 0.06973 0.07528 0.07814 0.08037 0.08337 0.08487 0.08688 0.09315 0.09543 0.09930 0.10443 0.10697 0.10831 0.11131 0.11246 0.11454 0.11695 0.12119 0.12336 0.12930 0.13139 0.13574 0.13950 0.14405 0.14526 0.14989 0.15407 0.15570 0.15976 0.16312 0.16671 0.16737 0.17258 0.17548 0.17823 0.18069 0.18504 0.18888 0.19177 0.19392 0.19556 0.19715 0.20112 0.20319 0.20722 0.21039 0.21317 0.21852 0.22027 0.22475 0.22527 0.22877 0.23313 0.23557 0.23835 0.24035 0.24516 0.24776 0.25034 0.25423 0.25733 0.26053 0.26387 0.26564 0.26949 0.27473 0.27810 0.28428 0.29114 0.29146 0.29472 0.29978 0.30171 0.30276 0.30719 0.31291 0.31555 0.32060 0.32668 0.33064 0.33428 0.34819 0.34942 0.35750 0.35945 0.36167 0.36770 0.37279 0.37952 0.38388 0.39033 0.39535 0.39593 0.40142 0.40705 0.41315 0.41910 0.42450 0.43174 0.43639 0.44361 0.45407 0.45980 0.46701 0.47937 0.48756 0.49070 0.49859 0.50713 0.51073 0.51419 0.52510 0.53400 0.53891 0.54620 0.55094 0.55456 0.55463 0.55905 0.56355 0.57478 0.58341 0.58761 0.59565 0.59877 0.60496 0.60782 0.62126 0.62517 0.63252 0.63756 0.63975 0.64727 0.65433 0.65842 0.66333 0.67086 0.68021 0.68248 0.68870 0.69125 0.69920 0.70006 0.70664 0.71120 0.71139 0.71780 0.72165 0.72623 0.73558 0.73891 0.74474 0.74970 0.75078 0.76432 0.77112 0.77452 0.78075 0.78704 0.79273 0.79600 0.80695 0.81776 0.83547 0.84861 0.85156 0.86225 0.87581 0.88584 0.88680 0.90708 0.91351 0.92330 0.92845 0.94016 0.94193 0.94819 0.96561 0.97789 0.98688 0.99748 1.00892 1.01412 1.02180 1.02821 1.03954 1.04377 1.04810 1.05956 1.07062 1.08017 1.08369 1.09404 1.10502 1.10620 1.11135 1.12480 1.13330 1.14225 1.15331 1.17142 1.18548 1.19467 1.19795 1.20913 1.22735 1.24940 1.26304 1.27097 1.28840 1.30347 1.30780 1.31828 1.34557 1.35849 1.36689 1.37369 1.39419 1.41250 1.43104 1.43760 1.44954 1.45328 1.46076 1.46354 1.47212 1.47620 1.49588 1.49857 1.51407 1.51974 1.53132 1.53288 1.54441 1.54779 1.55779 1.56423 1.56687 1.57766 1.58207 1.59117 1.59327 1.59543 1.59824 1.60644 1.61849 1.62480 1.63136 1.63783 1.64419 1.64500 1.64939 1.65455 1.66869 1.68237 1.68500 1.69595 1.71136 1.71400 1.73741 1.74533 1.75369 1.76287 1.77338 1.77516 1.78508 1.79555 1.80043 1.80363 1.80748 1.81299 1.82571 1.84129 1.84548 1.85109 1.88208 1.89197 1.90703 1.91400 1.91601 1.92838 1.94595 1.96203 1.96613 1.97272 1.98568 1.99856 2.01351 2.02628 2.03251 2.03875 2.04420 2.05064 2.05538 2.07516 2.09454 2.09659 2.10913 2.11851 2.13247 2.15445 2.15911 2.17146 2.17680 2.18463 2.20428 2.22854 2.23342 2.25476 2.26248 2.29239 2.29921 2.31527 2.33548 2.33791 2.36506 2.37191 2.39345 2.40858 2.42065 2.44485 2.45277 2.45508 2.45698 2.46355 2.47310 2.48346 2.49163 2.50165 2.52165 2.52473 2.52872 2.53450 2.54318 2.55270 2.55630 2.57423 2.58039 2.58276 2.58433 2.59105 2.59825 2.62481 2.63008 2.64191 2.64680 2.65715 2.68360 2.69243 2.69853 2.70455 2.71110 2.72357 2.72974 2.74227 2.75663 2.76683 2.78430 2.79512 2.80804 2.80936 2.83057 2.84701 2.85582 2.85670 2.87602 2.89314 2.89486 2.90132 2.90938 2.93145 2.93722 2.94632 2.94898 2.97826 2.98133 2.99581 3.00830 3.02660 3.04372 3.06577 3.10393 3.11324 3.11787 3.13762 3.14307 3.18115 3.19455 3.21156 3.22957 3.24891 3.26000 3.28273 3.34855 3.36836 3.39609 3.45427 3.47366 3.57386 3.57933 3.62811 3.64114 3.69715 3.72870 3.73497 3.76491 3.78953 3.79583 3.80641 3.81157 3.81288 3.82057 3.83612 3.84626 3.89367 3.97946 4.01978 4.08538 4.09349 4.17670 4.19542 4.23317 4.32084 4.33729 4.41199 4.82231 4.84931 5.05191 5.09031 5.11995 5.13253 5.15571 5.21744 5.31832 5.51394 5.68482 7.35871 7.99634 14.00288 14.07721 14.18685 17.32431 17.52995 17.54395 23.57356 23.80119 23.85454 23.90063 23.92418 23.92869 23.96508 23.96823 23.97462 23.98816 24.04681 24.09965 24.18110 35.56990 49.92277 49.96187 49.98523 163.47598 189.17399 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 39 40 41 S P O O O N C C C 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 -0.650033 0.236716 -0.167059 -0.167602 -0.102079 -0.470511 0.146278 -0.607479 -0.515145 -0.753703 0.167935 0.269628 -0.094398 0.027007 0.180312 0.172833 -0.335619 -0.465061 -0.476439 0.150211 0.308770 0.134303 0.174337 0.141120 0.138965 0.165583 0.138275 0.172871 0.176353 0.187339 0.116717 0.127089 0.147471 0.172367 0.169496 0.143155 0.146078 0.152048 0.179497 0.180952 0.181420 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 16 17 18 19 S P O O O N C C C C C C C C C C C C C -0.650033 0.236716 -0.167059 -0.167602 -0.102079 -0.161741 0.296489 -0.157718 -0.072322 -0.753703 0.167935 0.442498 0.269294 0.143723 0.180312 0.299923 0.153715 -0.023779 0.065430 0.00000 6.31896618e-02 1.26699518e+00 -1.00061594e+00 2.79303721e+02 9.33748342e+00 1.91270105e+02 4.95086840e+00 -1.86665245e+01 1.81993313e+02 -2.7115 -1.3292 -0.0016 -0.0015 -0.0013 2.1112 10.7285 20.9618 30.3148 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 10.6145 20.9581 30.3091 33.2504 43.1138 48.9516 61.9302 83.3533 100.2685 123.8012 146.9391 169.3805 183.9767 211.3638 231.6587 243.0690 245.4304 252.0678 266.6756 267.3627 270.9738 296.4401 311.0998 331.7183 354.3395 373.5571 408.3183 421.2810 432.5376 450.2810 460.4146 480.6970 512.4267 546.0195 563.8090 573.8615 637.8850 705.7881 715.2463 721.3071 769.9957 815.1639 827.3462 829.6155 847.8816 904.3173 918.0536 941.0170 942.5782 955.4143 963.2961 971.2168 976.4113 994.3329 1026.2158 1049.5397 1055.6984 1059.1646 1070.8389 1122.9618 1151.2589 1154.1897 1163.7139 1176.5043 1186.6248 1196.0109 1246.1431 1259.3624 1306.3763 1310.7709 1316.2837 1346.6111 1351.1029 1361.1013 1398.0800 1404.2853 1419.3412 1422.8263 1426.0718 1431.9185 1455.6576 1468.5765 1483.1665 1484.1019 1485.3524 1487.5874 1488.8524 1493.1070 1502.1994 1504.1078 1511.0349 1513.8946 1523.8732 1610.0349 1635.4827 3015.8204 3016.4990 3019.9793 3032.4814 3032.5967 3034.2605 3051.0253 3062.8504 3075.5263 3077.2277 3089.6148 3101.4561 3106.9955 3108.9999 3110.1761 3112.9060 3113.7037 3127.9284 3185.2190 3189.7061 3207.8635 3608.2032 3.9109 3.8055 2.9174 2.7607 3.3546 3.6689 2.2315 5.1550 5.0740 4.4281 4.2602 1.1599 4.0309 2.4870 2.0388 1.3565 1.0377 2.3268 2.2091 1.7255 1.4628 2.8094 4.1472 2.6371 3.1689 1.8921 4.5678 3.3103 3.7212 3.0145 4.1656 3.8951 6.3802 5.9308 5.1080 4.2983 6.1709 5.7245 3.8401 6.3345 4.1992 1.4452 2.1490 1.2995 4.7189 2.8090 1.4392 1.3315 1.3657 1.3126 3.2044 1.1855 2.3352 1.6018 1.5802 3.6228 3.0303 1.5113 6.3271 2.0304 2.1318 1.5171 2.1491 1.5254 1.8472 1.6782 4.0668 5.7640 1.1068 5.3627 1.6187 1.3842 1.3433 1.1671 1.2188 1.2582 1.2362 1.2365 1.3181 2.9529 1.2925 1.0512 1.0381 1.2620 1.0423 1.0514 1.0419 1.2440 1.0476 1.0844 1.0480 1.5676 1.0899 7.0387 5.4442 1.0368 1.0383 1.0386 1.0382 1.0302 1.0528 1.0844 1.0998 1.1090 1.1007 1.0987 1.1010 1.1019 1.1019 1.0996 1.1049 1.1081 1.1030 1.0890 1.0919 1.0922 1.0756 0.0003 0.0010 0.0016 0.0018 0.0037 0.0052 0.0050 0.0211 0.0301 0.0400 0.0542 0.0196 0.0804 0.0655 0.0645 0.0472 0.0368 0.0871 0.0926 0.0727 0.0633 0.1455 0.2365 0.1710 0.2344 0.1556 0.4487 0.3461 0.4102 0.3601 0.5203 0.5303 0.9871 1.0418 0.9567 0.8340 1.4794 1.6801 1.1575 1.9418 1.4669 0.5658 0.8667 0.5270 1.9988 1.3535 0.7147 0.6947 0.7149 0.7059 1.7519 0.6588 1.3117 0.9331 0.9805 2.3512 1.9898 0.9989 4.2747 1.5086 1.6647 1.1907 1.7147 1.2440 1.5325 1.4144 3.7208 5.3862 1.1129 5.4285 1.6524 1.4789 1.4447 1.2739 1.4036 1.4619 1.4673 1.4748 1.5793 3.5673 1.6136 1.3357 1.3455 1.6378 1.3548 1.3708 1.3607 1.6340 1.3929 1.4455 1.4098 2.1168 1.4912 10.7501 8.5798 5.5559 5.5666 5.5807 5.6250 5.5822 5.7111 5.9477 6.0790 6.1803 6.1407 6.1793 6.2398 6.2673 6.2755 6.2667 6.3082 6.3300 6.3584 6.5099 6.5454 6.6220 8.2506 0.2362 0.3236 0.4030 0.1444 1.6159 1.4827 3.4910 0.5138 0.6634 0.6272 0.6550 0.9589 4.7576 4.6893 4.1515 0.8005 0.2090 3.8108 0.8056 8.4193 1.5998 5.7776 5.2347 8.9104 3.8853 11.7321 27.2377 7.2906 13.1960 5.3332 9.3330 4.5187 56.8713 46.5634 6.2214 15.3715 16.8291 12.7443 0.8706 10.0390 65.8938 27.6522 64.1347 21.3375 218.2447 45.5060 35.6158 1.1190 0.7086 4.2707 305.6510 2.7892 54.9688 35.5167 81.9967 365.7276 88.8807 8.3904 14.3303 9.1801 9.6276 25.9290 23.0185 3.0636 51.2801 88.6333 120.1676 136.7996 0.1228 13.9926 29.5686 50.0199 6.1270 0.2442 2.1395 6.3178 3.2734 8.7303 21.1496 18.7112 93.4399 9.5873 8.0672 60.7616 10.3357 0.4791 1.0988 14.4821 2.9703 6.9566 8.1722 129.4285 1.6066 11.4630 33.7896 12.1485 18.5087 33.9790 19.7137 25.4003 21.7688 4.7600 11.4885 4.2729 1.6830 53.7795 26.7483 14.6083 23.1975 14.0977 30.4653 9.0639 4.7896 5.9770 1.4871 6.0134 36.5493 -0.03 0.07 0.00 -0.02 -0.05 -0.02 -0.01 -0.04 -0.01 -0.01 0.00 -0.03 -0.05 -0.07 -0.04 0.01 -0.07 0.02 0.09 -0.05 0.05 0.15 -0.14 0.06 0.14 0.04 0.08 -0.02 -0.02 -0.01 -0.02 0.10 0.06 -0.02 0.07 0.06 -0.03 0.03 -0.05 -0.02 -0.09 -0.07 -0.02 0.03 -0.00 -0.02 -0.07 -0.07 -0.02 0.20 0.13 -0.02 0.07 -0.05 -0.02 -0.04 -0.09 0.05 -0.03 0.04 0.02 -0.09 0.02 0.19 -0.16 0.07 0.11 -0.20 0.03 0.21 -0.12 0.08 0.17 0.03 0.09 0.09 0.11 0.07 0.19 0.06 0.10 -0.02 0.12 0.10 -0.03 0.03 -0.05 -0.05 0.01 -0.07 -0.01 -0.17 -0.12 -0.02 -0.12 -0.12 -0.02 0.25 0.17 -0.01 0.18 0.20 -0.04 0.27 0.08 -0.00 0.08 -0.03 -0.04 0.09 -0.08 -0.03 0.06 -0.05 -0.04 -0.04 -0.18 -0.01 -0.13 -0.05 -0.03 -0.02 -0.09 -0.04 0.06 0.04 0.00 -0.01 -0.01 -0.02 -0.07 -0.02 -0.01 0.01 0.01 -0.02 0.00 0.01 0.06 -0.01 -0.04 0.12 -0.02 -0.07 0.15 -0.07 -0.07 0.15 0.04 -0.10 -0.02 -0.05 -0.03 -0.01 -0.05 -0.04 -0.01 -0.08 -0.05 -0.07 -0.01 0.06 -0.03 0.00 0.01 -0.03 0.01 0.01 -0.04 0.03 0.03 -0.00 -0.08 -0.06 -0.09 0.01 0.12 -0.07 0.21 0.15 0.12 -0.05 -0.06 0.08 0.01 -0.04 0.15 -0.04 -0.08 0.13 -0.11 -0.05 0.20 -0.08 -0.09 0.15 0.06 -0.11 0.13 0.07 -0.09 0.20 0.02 -0.11 0.00 -0.12 -0.08 -0.11 -0.05 0.03 -0.06 0.01 0.09 -0.04 0.02 0.03 -0.05 0.07 0.06 0.01 -0.12 -0.09 0.02 -0.04 -0.09 -0.02 -0.10 -0.03 -0.11 -0.01 0.10 -0.14 -0.00 0.16 -0.05 0.05 0.15 -0.13 0.17 0.22 -0.02 0.28 0.10 -0.08 0.26 0.19 0.01 -0.02 0.04 -0.00 0.02 -0.06 0.01 0.06 -0.05 0.00 0.00 -0.07 0.00 -0.01 -0.08 -0.04 0.00 -0.02 -0.01 0.03 0.02 0.02 -0.02 0.02 0.01 0.06 0.07 0.01 0.05 -0.03 -0.01 0.02 0.00 -0.01 0.04 -0.02 0.02 -0.01 -0.05 0.04 0.04 -0.02 0.01 0.01 0.01 0.04 0.02 0.00 -0.04 0.01 0.01 -0.12 -0.19 0.22 0.06 -0.07 0.01 -0.05 0.05 0.01 -0.04 -0.02 -0.01 0.05 -0.05 0.03 0.00 -0.04 -0.01 0.03 -0.00 0.04 0.04 0.04 0.08 -0.02 0.10 0.06 0.02 0.08 0.09 -0.03 0.05 -0.02 -0.10 0.13 -0.19 0.26 -0.05 -0.10 0.05 0.04 -0.03 0.05 0.01 0.01 -0.06 0.02 0.00 -0.04 0.00 0.03 -0.04 0.01 0.02 -0.37 -0.15 0.28 -0.10 -0.20 0.23 0.01 -0.35 0.36 0.09 -0.05 -0.01 0.05 -0.08 0.02 0.06 -0.10 0.02 0.01 0.02 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.01 0.03 -0.01 -0.02 -0.03 -0.03 0.06 -0.02 0.00 0.07 -0.02 0.01 -0.07 0.08 0.21 -0.01 -0.13 -0.20 0.01 -0.00 -0.01 0.01 0.02 0.01 0.01 0.01 0.00 -0.06 0.04 0.02 0.01 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.00 -0.01 0.00 0.03 0.02 -0.08 0.06 0.09 0.01 -0.04 -0.03 0.27 0.00 0.03 -0.03 -0.02 -0.00 -0.26 0.06 0.20 -0.00 0.16 0.35 -0.05 0.09 0.22 -0.20 -0.15 -0.23 0.10 -0.21 -0.33 0.01 -0.14 -0.21 0.01 0.01 0.01 -0.10 0.02 -0.02 -0.04 0.04 0.02 0.01 -0.02 -0.02 0.01 -0.01 -0.01 0.00 0.03 0.02 0.01 0.03 0.03 -0.00 0.04 0.01 -0.09 0.06 0.08 -0.13 0.06 0.11 -0.03 0.08 0.13 0.03 -0.03 -0.07 0.01 -0.07 -0.02 0.02 -0.04 -0.04 0.02 -0.02 0.01 0.04 -0.01 -0.02 0.02 -0.04 -0.03 0.03 0.05 0.01 0.03 -0.02 -0.03 0.09 -0.02 -0.02 -0.07 -0.01 -0.01 -0.09 0.06 -0.13 -0.11 -0.10 0.13 0.02 -0.05 -0.04 0.01 0.00 0.01 0.01 -0.01 0.00 -0.04 0.09 -0.02 0.04 -0.11 -0.07 0.02 -0.04 -0.02 0.04 -0.10 -0.06 -0.01 0.06 0.07 -0.08 0.14 0.09 0.00 0.10 0.10 -0.16 -0.00 -0.03 0.11 -0.02 -0.01 -0.00 0.06 -0.12 -0.07 0.12 -0.22 -0.21 0.06 -0.13 -0.02 -0.12 0.15 -0.09 -0.15 0.20 -0.23 -0.10 0.14 0.01 0.03 0.03 -0.10 0.12 -0.08 -0.01 0.06 -0.07 0.05 -0.14 -0.11 0.05 -0.14 -0.09 -0.01 0.10 0.09 -0.00 0.04 0.12 -0.02 0.10 0.03 -0.11 0.18 0.14 -0.13 0.18 0.07 -0.02 0.11 0.15 -0.08 0.05 0.13 0.09 0.14 0.07 -0.01 0.17 0.17 -0.02 0.13 0.11 0.02 -0.02 -0.01 0.01 -0.05 -0.02 0.01 0.01 0.01 0.02 -0.02 -0.01 0.06 -0.02 -0.02 -0.02 -0.03 -0.03 -0.00 -0.01 -0.13 -0.02 -0.05 0.05 0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.06 -0.04 -0.05 0.03 0.02 -0.01 0.06 0.05 -0.01 0.06 0.05 -0.02 0.10 0.09 0.01 -0.07 -0.05 -0.05 0.10 0.03 0.04 -0.20 -0.14 -0.09 -0.04 -0.04 0.09 -0.02 -0.02 0.06 0.01 -0.13 -0.00 0.01 -0.18 -0.06 -0.01 -0.14 0.05 -0.05 0.07 -0.03 -0.07 0.11 -0.08 -0.05 0.05 0.02 -0.12 -0.09 -0.07 -0.01 0.01 -0.09 0.03 0.02 -0.01 0.09 0.08 -0.03 0.17 0.14 0.03 -0.16 -0.12 0.07 0.02 -0.08 -0.06 -0.09 0.03 -0.01 0.10 0.03 -0.10 0.11 0.04 -0.03 0.14 0.04 0.17 -0.12 -0.33 -0.07 -0.39 -0.04 0.06 -0.30 -0.22 0.00 -0.02 0.03 0.02 0.01 -0.04 0.00 0.05 -0.06 -0.00 -0.02 -0.01 0.04 -0.01 -0.06 0.01 -0.00 -0.01 -0.00 0.02 0.02 -0.00 0.01 0.03 -0.00 0.01 0.06 0.01 0.03 -0.05 -0.02 0.02 -0.01 -0.02 0.03 -0.03 -0.11 -0.12 0.19 0.03 0.01 -0.05 0.01 0.00 -0.01 0.03 -0.00 -0.03 -0.05 0.02 0.01 -0.00 -0.01 -0.02 0.04 -0.02 0.04 -0.02 0.05 0.01 -0.02 -0.02 -0.01 0.01 -0.02 0.04 -0.00 0.02 0.00 -0.01 0.03 0.06 0.01 -0.02 0.07 -0.01 0.02 0.05 -0.01 0.03 0.08 -0.03 0.04 -0.04 -0.05 -0.42 0.30 -0.32 0.02 0.39 0.05 0.01 -0.06 0.05 -0.02 -0.03 -0.06 0.04 0.00 -0.05 0.01 0.03 -0.05 0.03 0.01 0.22 -0.16 -0.24 -0.09 -0.10 0.16 -0.06 0.32 -0.13 0.04 -0.01 0.03 0.07 -0.01 0.03 0.04 -0.02 0.07 -0.09 0.10 0.11 0.04 0.04 0.02 -0.05 0.01 -0.06 -0.01 -0.01 0.11 0.14 0.07 0.05 0.07 0.04 0.00 0.04 0.07 0.04 -0.00 0.10 0.11 0.01 0.02 0.03 -0.04 -0.07 -0.12 -0.07 -0.06 -0.07 -0.06 -0.07 -0.10 0.13 0.01 -0.01 -0.02 -0.12 -0.15 -0.05 -0.05 -0.05 -0.02 -0.12 -0.11 -0.10 -0.04 -0.03 0.12 -0.10 -0.03 -0.03 -0.04 0.02 0.08 0.11 0.03 0.20 0.02 0.01 -0.04 0.05 0.12 0.02 0.14 0.11 -0.03 0.13 0.16 -0.02 -0.02 0.04 0.04 -0.00 -0.01 -0.00 0.04 0.06 -0.07 -0.05 -0.10 0.17 0.16 0.00 0.21 -0.04 -0.09 -0.00 -0.14 -0.17 -0.00 -0.14 -0.12 -0.11 -0.10 -0.10 -0.02 0.03 0.01 -0.21 -0.02 0.03 0.04 -0.04 0.05 0.25 -0.08 -0.13 0.07 -0.26 -0.05 -0.09 -0.05 -0.15 0.07 -0.18 0.05 -0.05 0.02 0.10 -0.03 -0.09 -0.00 0.04 -0.04 0.05 -0.04 0.11 -0.05 -0.04 -0.09 0.18 0.21 -0.08 -0.01 0.00 -0.04 0.05 0.02 -0.10 -0.03 0.03 -0.08 -0.11 0.03 -0.08 -0.12 -0.04 0.11 -0.05 -0.08 0.08 -0.01 -0.07 0.10 -0.04 0.02 0.03 -0.02 -0.02 0.13 -0.02 -0.04 0.05 -0.00 -0.01 0.10 0.01 -0.13 0.07 0.03 0.02 0.09 0.01 0.05 -0.04 0.07 0.03 -0.18 -0.01 0.03 0.00 0.05 0.03 0.02 -0.14 0.02 -0.11 -0.05 0.05 -0.14 -0.19 0.01 0.02 -0.15 0.03 -0.11 -0.06 0.04 -0.14 -0.21 -0.09 0.10 -0.06 0.03 0.20 -0.04 0.04 -0.08 -0.17 0.01 0.17 -0.01 0.02 0.09 0.03 -0.18 0.14 0.03 -0.17 0.02 0.06 -0.10 0.07 0.01 -0.00 0.21 0.20 0.05 0.20 -0.16 -0.00 -0.10 0.03 0.12 -0.02 0.14 0.02 0.04 0.04 0.06 -0.12 0.08 -0.04 -0.09 -0.06 0.02 0.01 -0.04 -0.02 -0.11 -0.05 0.01 0.07 -0.03 -0.06 0.02 -0.02 0.24 -0.01 -0.05 0.10 0.02 -0.00 0.03 0.12 -0.02 0.04 -0.12 0.10 -0.03 -0.02 -0.01 -0.06 0.04 0.04 -0.04 -0.02 -0.01 0.08 0.01 0.02 -0.06 0.08 0.07 -0.06 0.05 0.05 -0.07 0.12 0.10 -0.07 0.08 0.08 0.07 -0.12 -0.03 -0.08 -0.01 -0.01 0.08 0.07 -0.02 0.21 -0.02 -0.05 0.05 0.06 0.00 0.08 0.22 -0.08 -0.09 0.15 0.03 0.06 -0.20 0.14 0.09 -0.18 0.10 -0.09 -0.07 0.16 -0.04 -0.06 -0.04 0.10 0.00 0.05 0.11 0.05 0.08 -0.07 0.12 0.10 -0.08 0.17 0.14 -0.08 0.13 0.12 -0.08 0.04 0.13 -0.06 0.12 0.04 0.03 -0.17 -0.10 0.15 -0.19 0.03 0.04 -0.11 -0.06 0.02 0.03 0.13 -0.22 0.10 -0.03 -0.06 -0.11 -0.11 0.01 -0.04 -0.03 0.04 -0.03 -0.05 0.02 -0.14 -0.06 0.01 -0.14 0.02 0.18 0.11 0.08 -0.10 0.02 -0.14 -0.05 0.09 -0.03 -0.03 0.01 0.12 -0.02 0.14 0.02 0.01 -0.08 -0.02 0.01 -0.01 0.02 0.02 -0.09 -0.02 -0.06 -0.05 -0.06 -0.01 0.01 0.05 -0.00 0.02 0.04 -0.02 0.06 0.08 0.00 0.07 0.08 -0.07 0.09 0.01 -0.03 0.01 -0.02 -0.03 0.19 -0.06 0.28 -0.03 -0.10 -0.06 -0.15 0.17 -0.04 0.01 0.07 0.00 0.11 0.26 -0.02 0.03 0.05 -0.05 0.22 -0.07 0.05 0.22 0.12 0.03 -0.12 -0.05 -0.09 -0.03 -0.10 -0.10 -0.11 -0.14 -0.02 0.05 0.08 -0.04 0.11 0.12 0.02 0.04 0.07 0.08 0.11 0.15 -0.09 0.14 0.08 -0.02 0.17 0.12 -0.15 0.19 -0.08 -0.03 0.05 0.05 0.03 0.03 0.08 -0.14 0.07 -0.02 -0.02 -0.07 -0.10 -0.01 0.01 0.01 0.01 -0.00 -0.01 0.00 -0.02 -0.01 0.00 -0.02 0.00 0.02 0.01 0.01 0.01 -0.00 -0.02 0.00 0.01 -0.01 0.00 0.01 0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.03 0.03 -0.01 0.04 0.03 -0.00 -0.01 -0.01 0.00 -0.02 -0.01 -0.01 0.02 0.02 -0.00 -0.00 0.00 0.00 -0.05 -0.03 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.01 0.02 -0.01 0.05 -0.01 -0.02 0.00 -0.02 0.02 0.00 0.02 -0.01 -0.01 0.02 0.03 0.00 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.01 0.05 0.04 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 0.01 -0.05 -0.03 -0.00 -0.02 -0.01 -0.07 0.35 0.28 -0.41 -0.45 -0.14 0.50 -0.16 -0.31 -0.00 0.01 0.01 -0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.02 -0.00 -0.02 -0.02 -0.02 0.00 -0.01 0.00 -0.01 -0.01 -0.03 0.02 -0.04 -0.02 0.03 -0.03 -0.12 0.03 -0.04 -0.03 0.01 -0.12 0.06 0.12 0.02 -0.01 -0.03 0.01 0.00 -0.01 0.00 0.01 0.02 0.00 -0.01 0.03 -0.02 -0.02 -0.04 0.02 0.06 -0.08 0.03 0.02 -0.05 -0.03 -0.01 -0.02 -0.06 0.01 -0.05 -0.01 0.08 -0.09 -0.04 0.07 -0.08 0.07 0.09 -0.10 -0.03 -0.01 -0.02 0.31 -0.05 0.13 0.01 0.03 -0.02 0.05 -0.00 -0.03 0.01 -0.05 0.04 0.01 0.03 -0.01 -0.02 0.04 0.07 0.01 -0.07 0.05 0.01 -0.01 0.00 -0.01 0.02 0.07 0.06 0.00 -0.03 -0.02 0.01 -0.02 -0.03 -0.03 -0.04 -0.08 -0.00 -0.04 -0.05 0.08 -0.08 0.09 0.12 -0.04 0.03 0.07 -0.11 0.11 0.10 -0.14 -0.04 0.02 0.03 0.01 0.01 -0.08 -0.05 -0.08 -0.03 0.43 0.01 0.10 0.39 0.02 0.09 0.31 -0.21 0.30 0.00 -0.01 -0.00 -0.00 -0.01 -0.02 0.00 -0.01 -0.01 -0.03 -0.07 0.01 0.02 0.04 0.03 0.07 -0.00 -0.06 0.04 0.02 -0.03 0.02 0.05 0.00 0.02 -0.03 0.04 -0.01 0.07 0.05 -0.02 0.08 0.07 -0.03 0.17 0.13 -0.05 -0.04 -0.03 0.01 -0.04 -0.03 -0.01 0.04 0.04 0.01 -0.03 -0.01 0.01 -0.11 -0.08 -0.04 -0.00 -0.03 -0.02 0.00 -0.00 0.04 0.06 -0.04 -0.02 0.00 -0.07 0.04 -0.04 0.03 0.04 0.10 -0.07 -0.05 0.10 0.07 0.02 -0.14 0.07 0.04 -0.04 -0.02 -0.02 0.03 0.12 -0.04 0.21 0.17 -0.05 -0.02 -0.03 -0.06 -0.07 -0.06 0.03 -0.14 -0.11 0.02 -0.10 -0.07 0.07 -0.45 -0.34 0.18 0.16 -0.23 -0.18 -0.23 0.20 -0.04 0.08 0.09 -0.01 0.07 -0.15 -0.07 -0.13 -0.03 -0.08 -0.02 -0.02 0.03 -0.01 -0.01 -0.03 0.06 0.02 -0.06 -0.02 0.00 0.03 -0.01 0.01 0.01 -0.05 0.00 0.09 0.04 -0.06 0.03 -0.00 0.01 -0.06 -0.01 0.01 -0.04 -0.02 0.01 -0.01 -0.06 0.02 -0.02 0.02 -0.03 -0.00 -0.00 -0.00 -0.03 0.06 0.02 -0.02 0.06 0.04 0.09 0.03 -0.02 -0.03 -0.03 -0.04 -0.05 0.05 0.01 -0.03 0.02 -0.02 0.01 -0.02 -0.05 0.06 0.04 0.06 -0.01 -0.02 0.03 -0.04 -0.03 0.01 0.24 -0.03 0.03 0.00 -0.09 0.03 -0.03 -0.08 -0.00 0.01 -0.04 0.04 -0.02 0.08 -0.05 -0.04 0.01 0.01 -0.00 -0.03 -0.08 -0.02 0.06 0.05 0.06 0.01 -0.05 0.11 0.05 0.00 -0.04 -0.10 -0.08 -0.03 0.00 -0.03 0.04 -0.13 -0.13 0.04 0.07 -0.14 -0.03 -0.08 0.03 0.10 -0.20 -0.27 -0.17 -0.14 0.44 0.22 0.46 0.12 0.11 0.03 0.11 -0.12 0.06 0.02 0.01 -0.15 -0.04 -0.01 -0.01 -0.00 0.01 -0.01 0.01 0.01 0.01 0.01 0.04 -0.04 -0.04 -0.01 0.04 0.06 0.01 -0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.03 0.02 0.00 0.04 0.01 -0.01 -0.01 -0.02 -0.00 0.00 -0.02 0.02 -0.03 -0.05 -0.01 0.06 0.02 -0.00 -0.02 -0.03 0.00 0.01 -0.01 -0.03 0.01 0.01 0.00 0.03 0.02 -0.02 -0.02 -0.01 0.01 -0.00 -0.01 -0.09 0.00 -0.01 -0.05 0.11 -0.04 0.00 -0.04 0.10 0.08 -0.06 -0.10 -0.06 -0.21 0.07 0.03 0.01 -0.14 0.04 0.08 0.18 -0.01 0.00 -0.03 -0.01 -0.02 -0.07 0.02 -0.04 -0.06 -0.01 0.09 0.05 0.01 -0.01 -0.02 -0.05 0.05 0.02 -0.04 -0.02 0.05 -0.03 0.02 -0.01 0.03 -0.05 -0.10 -0.13 -0.02 0.16 0.09 0.20 0.06 -0.38 -0.16 -0.26 0.39 -0.22 -0.02 -0.09 0.37 0.28 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.02 -0.02 0.00 -0.01 0.02 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 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.01 -0.06 0.00 0.00 -0.19 0.37 -0.14 -0.03 -0.11 0.34 0.21 -0.19 -0.31 -0.13 -0.31 0.10 0.02 0.10 -0.27 0.10 0.19 0.29 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.03 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.17 0.08 0.13 -0.21 0.10 0.01 0.03 -0.19 -0.14 0.04 0.03 0.00 -0.00 -0.00 0.03 0.01 0.04 0.02 0.04 -0.07 -0.04 -0.09 0.08 0.12 0.02 -0.00 0.01 0.02 -0.02 -0.00 0.02 -0.02 0.01 0.00 -0.06 0.01 0.01 0.04 -0.05 -0.01 -0.02 -0.03 -0.00 0.01 -0.07 0.00 -0.05 -0.05 0.04 0.02 -0.05 0.03 -0.02 -0.00 0.05 -0.02 -0.02 -0.14 -0.04 0.04 -0.01 0.03 0.01 -0.02 0.03 -0.03 0.02 -0.02 0.00 -0.28 0.02 -0.02 0.13 -0.21 0.07 0.03 0.04 -0.18 -0.09 0.08 0.15 0.03 -0.02 0.01 0.02 -0.10 0.07 -0.06 -0.09 -0.02 -0.03 0.03 -0.08 -0.02 -0.05 -0.08 -0.01 -0.07 -0.08 0.07 0.05 -0.05 0.06 -0.00 0.01 -0.23 0.03 -0.00 -0.15 -0.11 0.13 -0.15 -0.06 0.06 0.03 0.00 -0.03 -0.13 0.03 0.08 0.07 0.14 0.06 0.24 0.14 0.17 -0.37 0.17 -0.01 0.03 -0.25 -0.30 0.08 0.03 -0.04 -0.03 0.01 0.01 -0.04 -0.02 -0.02 -0.10 0.05 0.09 0.05 0.01 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.04 -0.00 -0.02 -0.03 -0.01 -0.02 -0.02 -0.00 0.00 -0.00 0.02 -0.01 0.00 0.00 -0.02 0.09 -0.03 0.01 -0.02 0.02 0.03 -0.00 0.04 0.01 -0.02 0.04 -0.07 -0.05 0.04 -0.04 -0.06 -0.05 0.10 0.04 -0.04 -0.01 -0.00 -0.02 0.26 -0.00 0.01 0.06 -0.13 0.03 0.00 -0.04 -0.09 -0.01 0.01 0.08 -0.11 -0.21 0.03 0.02 0.02 -0.19 0.03 0.09 0.14 -0.00 -0.00 0.01 0.01 0.21 -0.02 0.05 0.04 -0.09 0.04 -0.02 -0.00 0.01 -0.02 0.04 -0.12 -0.05 -0.01 -0.07 -0.07 0.06 -0.08 -0.09 0.09 -0.09 -0.31 -0.40 -0.08 -0.30 0.31 0.02 0.26 -0.06 0.07 0.03 -0.07 0.16 0.03 -0.05 0.09 0.07 0.03 0.02 0.00 -0.02 0.01 0.01 0.00 0.01 -0.05 -0.01 0.04 0.07 -0.02 -0.05 0.00 0.00 -0.05 -0.00 -0.02 -0.04 -0.01 -0.02 -0.00 -0.09 0.01 -0.04 -0.01 -0.03 0.00 0.00 -0.03 -0.01 0.02 0.01 -0.00 0.02 -0.02 0.04 0.01 0.09 0.01 0.00 -0.02 0.00 0.02 0.02 0.01 0.02 0.01 -0.08 -0.04 0.01 0.07 0.02 0.05 0.01 0.01 -0.02 -0.05 -0.01 -0.02 0.24 -0.01 0.01 0.08 -0.23 0.06 -0.03 -0.11 -0.12 -0.00 -0.01 0.13 -0.17 -0.26 0.03 -0.01 0.07 -0.29 0.06 0.14 0.18 -0.01 0.01 -0.03 0.05 -0.08 0.12 0.00 0.07 0.17 0.03 -0.01 -0.04 0.02 0.01 0.01 -0.12 -0.04 -0.05 -0.08 -0.04 0.02 -0.09 -0.08 0.07 0.07 0.22 0.33 0.21 0.18 -0.26 -0.04 -0.29 0.01 -0.06 -0.02 -0.07 0.11 -0.03 -0.02 -0.00 0.10 0.05 0.03 0.01 -0.03 0.00 -0.01 -0.00 -0.00 -0.06 -0.01 0.01 -0.00 -0.01 -0.03 -0.00 0.01 -0.00 -0.01 0.01 -0.01 0.00 0.02 -0.03 0.03 0.02 0.01 0.04 0.01 -0.00 -0.01 -0.03 -0.01 0.02 0.02 -0.01 0.02 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.02 0.01 0.03 0.03 0.00 0.01 0.02 -0.10 -0.05 0.03 0.01 0.00 0.01 0.05 0.02 -0.03 -0.01 -0.00 0.03 0.16 -0.04 0.02 -0.22 0.33 -0.09 -0.03 -0.04 0.34 0.14 -0.14 -0.23 0.18 0.38 -0.06 -0.04 -0.04 0.35 -0.07 -0.17 -0.27 -0.01 0.01 -0.02 -0.00 -0.03 0.01 -0.01 -0.00 0.02 0.03 -0.02 -0.04 0.01 0.00 0.02 -0.16 -0.06 -0.05 -0.10 -0.06 0.03 -0.11 -0.11 0.10 0.01 0.04 0.05 0.02 0.03 -0.05 -0.01 -0.04 0.00 -0.02 -0.00 -0.08 0.16 -0.01 -0.04 0.03 0.10 0.06 0.03 -0.04 0.05 -0.01 0.04 -0.02 0.00 -0.01 -0.04 -0.03 0.07 -0.01 0.03 0.15 0.09 -0.02 -0.01 -0.00 -0.02 -0.04 0.01 0.04 -0.14 0.04 -0.05 -0.12 0.02 0.02 0.01 -0.04 0.02 0.03 -0.02 0.02 0.02 -0.03 -0.06 0.05 0.01 0.04 0.01 -0.03 0.03 0.02 0.00 0.04 0.02 -0.01 0.07 0.04 -0.04 -0.06 -0.06 -0.05 -0.12 -0.03 0.01 -0.02 -0.04 0.01 0.27 -0.05 0.02 -0.05 -0.00 -0.01 -0.03 -0.32 0.24 0.28 -0.23 -0.07 0.01 0.03 -0.02 -0.01 -0.26 0.21 -0.21 -0.23 -0.13 0.02 0.02 -0.03 -0.05 0.03 0.03 -0.06 0.07 0.04 0.06 0.02 -0.04 0.04 0.02 -0.01 0.11 0.02 -0.01 0.07 0.07 -0.08 0.07 0.06 -0.06 -0.12 -0.06 -0.07 0.08 -0.10 -0.07 -0.14 -0.14 -0.11 -0.20 -0.07 0.03 -0.16 -0.07 0.04 -0.12 0.07 -0.08 -0.09 0.07 -0.08 0.02 0.06 -0.04 -0.00 0.08 -0.00 0.06 0.03 -0.12 0.14 0.11 -0.01 0.00 0.01 0.01 0.01 -0.02 0.01 0.06 -0.09 0.02 -0.04 -0.13 0.02 -0.02 -0.02 0.10 -0.02 -0.08 0.04 -0.04 -0.05 0.10 -0.02 -0.03 -0.01 -0.06 -0.02 0.09 -0.07 -0.08 -0.02 -0.07 -0.06 0.01 -0.01 -0.04 0.06 -0.02 0.00 -0.00 0.18 0.05 -0.01 0.02 -0.02 0.01 -0.17 0.00 0.00 0.06 -0.05 0.01 0.01 -0.20 0.07 0.19 -0.11 -0.02 -0.02 -0.06 0.00 0.03 -0.26 0.13 -0.20 -0.19 -0.06 -0.04 -0.02 0.12 -0.04 -0.14 -0.01 -0.05 0.03 0.07 -0.12 -0.01 0.14 -0.06 -0.06 0.02 -0.01 -0.03 0.08 -0.00 -0.05 0.09 -0.02 -0.02 0.04 -0.01 0.08 0.12 0.02 0.08 -0.13 -0.05 -0.12 -0.01 0.35 0.13 -0.04 0.25 0.13 -0.06 0.19 -0.17 0.15 -0.01 0.03 0.03 -0.01 -0.03 -0.00 0.02 -0.06 0.01 0.00 0.01 -0.00 -0.01 -0.03 -0.00 0.00 -0.02 -0.06 0.00 0.00 -0.03 -0.02 0.01 0.01 0.01 0.02 0.00 -0.01 0.12 0.08 0.02 -0.06 -0.06 -0.00 0.09 0.05 -0.00 0.01 0.01 -0.02 0.13 0.09 0.03 -0.17 -0.14 0.02 -0.07 -0.07 -0.03 0.00 0.01 0.00 -0.00 -0.00 -0.02 0.01 0.01 -0.00 0.03 -0.04 0.79 -0.04 0.00 -0.09 0.04 -0.01 -0.00 0.02 0.07 0.00 -0.01 -0.01 0.05 0.02 0.01 -0.01 0.03 0.03 0.01 0.01 -0.00 -0.01 0.13 0.08 0.00 -0.01 0.01 -0.01 0.01 0.02 -0.03 0.20 0.14 0.02 -0.09 -0.09 -0.06 0.07 0.03 -0.01 -0.04 0.10 -0.05 0.06 -0.03 -0.00 -0.00 0.00 0.02 -0.01 -0.01 -0.01 -0.02 -0.01 0.11 0.06 0.08 -0.18 0.05 0.03 0.01 -0.13 -0.12 0.03 0.01 0.00 -0.04 0.02 -0.05 -0.05 0.04 -0.07 -0.09 -0.06 0.12 -0.11 0.01 -0.06 0.02 0.02 -0.12 -0.01 0.03 -0.10 0.02 -0.08 0.05 -0.04 -0.04 0.03 -0.03 0.00 0.01 -0.01 -0.02 0.01 -0.03 -0.00 0.02 0.12 -0.05 0.03 -0.00 -0.00 0.03 0.01 -0.04 0.01 0.00 -0.02 0.02 0.06 0.02 -0.01 0.15 0.09 0.11 0.02 0.01 -0.01 -0.01 0.10 -0.12 -0.18 0.07 -0.14 -0.12 -0.07 0.04 -0.04 -0.21 0.22 0.26 -0.08 0.05 0.10 0.00 0.04 -0.03 -0.14 0.21 -0.23 -0.09 -0.02 -0.03 0.01 0.04 0.16 0.09 0.04 0.16 -0.10 -0.04 0.02 0.02 0.03 -0.00 -0.02 0.03 0.12 -0.00 0.04 0.07 0.05 -0.04 0.06 0.06 -0.06 0.25 0.10 0.12 -0.08 0.15 0.15 0.27 0.23 0.19 0.02 0.01 -0.00 0.00 0.01 -0.01 0.02 0.00 -0.02 0.04 -0.00 -0.00 -0.05 0.02 0.01 -0.05 0.09 -0.03 0.00 -0.06 -0.05 -0.02 0.01 -0.01 -0.05 0.00 0.05 0.04 0.01 0.07 0.04 0.06 -0.03 0.01 -0.05 -0.01 -0.04 -0.02 -0.01 -0.02 0.00 0.01 -0.03 -0.04 -0.02 0.01 -0.09 -0.04 0.00 -0.04 -0.00 -0.00 0.02 0.05 -0.00 -0.01 0.03 0.04 0.02 -0.02 0.01 0.03 0.02 0.01 0.01 -0.01 0.06 -0.02 0.08 0.83 -0.07 0.13 0.14 0.11 -0.04 0.06 0.12 -0.13 -0.08 0.03 -0.08 -0.09 -0.07 -0.02 0.08 -0.10 -0.07 -0.01 -0.05 -0.01 -0.02 -0.06 -0.03 0.00 -0.10 -0.04 -0.01 -0.08 -0.02 0.02 -0.04 -0.02 -0.01 -0.01 0.03 0.10 -0.01 0.03 0.05 0.05 -0.06 0.06 0.04 -0.05 0.07 0.07 0.08 -0.10 0.10 -0.01 0.07 0.06 0.07 -0.01 -0.00 -0.01 0.02 -0.00 -0.01 0.01 0.03 -0.01 0.17 -0.01 0.08 -0.05 0.02 -0.02 -0.10 -0.15 -0.01 0.00 0.04 -0.10 0.15 0.02 -0.04 -0.03 -0.00 0.07 0.02 0.01 0.08 0.04 0.04 -0.02 -0.00 -0.02 -0.01 -0.11 -0.06 0.04 -0.02 0.03 -0.10 -0.05 0.06 0.05 0.04 -0.03 -0.00 -0.11 -0.03 0.07 0.05 -0.04 -0.10 -0.08 0.01 -0.01 -0.08 0.05 -0.09 0.05 0.03 0.04 -0.02 -0.00 0.00 0.03 -0.03 0.09 -0.61 -0.03 0.03 0.16 0.06 -0.02 0.04 0.05 -0.12 -0.05 0.01 -0.06 -0.09 0.00 -0.03 0.04 -0.06 -0.05 0.01 -0.04 -0.03 0.03 0.11 0.16 0.04 -0.09 0.01 0.04 0.02 0.07 -0.14 -0.01 0.09 -0.19 0.08 -0.02 -0.10 0.07 -0.10 -0.07 0.04 -0.05 -0.10 0.06 -0.08 0.09 0.07 0.11 -0.03 0.09 -0.00 0.09 0.03 0.08 -0.12 -0.05 0.04 -0.14 -0.05 0.05 -0.01 0.12 -0.18 -0.04 -0.01 0.00 0.00 0.04 0.02 0.06 -0.09 0.10 -0.02 -0.06 0.04 -0.01 -0.08 -0.11 -0.06 0.09 -0.01 0.02 0.17 0.04 0.18 0.04 0.00 -0.13 -0.06 -0.01 0.05 -0.00 0.03 0.07 0.03 -0.02 0.09 -0.00 -0.02 -0.02 -0.03 -0.02 -0.01 0.00 -0.02 0.01 0.06 -0.04 -0.00 0.03 -0.06 -0.06 -0.03 0.03 -0.02 -0.00 -0.01 -0.03 -0.02 0.02 0.03 0.20 0.03 0.06 0.08 -0.00 0.34 0.09 -0.00 0.05 -0.17 -0.07 0.33 0.00 -0.04 -0.28 -0.06 -0.04 0.09 -0.33 -0.00 -0.38 -0.11 -0.08 0.10 -0.03 -0.04 -0.02 0.02 -0.03 -0.01 -0.07 -0.07 -0.05 -0.03 -0.01 -0.02 0.02 -0.08 -0.19 0.02 -0.07 -0.08 -0.10 0.10 -0.08 -0.10 0.11 -0.01 -0.01 -0.02 -0.05 0.00 -0.00 -0.01 0.03 -0.01 -0.04 -0.02 0.02 -0.03 -0.02 0.02 -0.03 -0.01 0.01 -0.06 0.02 -0.02 0.03 0.01 -0.09 0.02 -0.11 -0.12 -0.07 -0.04 0.08 -0.08 0.10 0.01 0.01 -0.05 0.13 -0.04 -0.01 0.22 0.04 0.02 -0.04 -0.05 0.04 -0.06 0.04 0.01 -0.06 0.01 -0.07 0.01 -0.01 0.09 0.05 0.01 -0.01 0.01 0.05 0.04 -0.03 0.01 -0.11 -0.03 0.04 0.03 0.05 0.06 -0.02 0.04 0.02 0.01 0.01 0.01 0.01 -0.00 -0.04 -0.04 0.22 -0.17 -0.24 0.13 0.31 0.14 -0.06 -0.00 -0.01 -0.22 -0.09 -0.06 -0.16 -0.33 0.14 -0.14 0.00 0.06 -0.24 0.16 -0.02 -0.14 -0.08 0.21 0.10 0.03 0.07 0.01 0.03 -0.05 -0.04 0.09 0.07 -0.03 0.08 0.12 0.16 0.10 -0.03 0.08 0.08 -0.00 0.05 0.05 0.03 -0.01 0.05 0.01 0.01 -0.02 0.02 0.03 0.04 0.05 0.02 0.05 0.03 -0.03 0.05 0.02 -0.02 0.01 -0.04 0.06 -0.01 -0.00 0.00 0.00 0.00 0.03 0.00 0.07 0.03 0.02 -0.00 -0.01 -0.01 -0.04 -0.00 -0.02 0.02 -0.03 0.01 0.01 -0.06 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 -0.07 -0.04 0.04 -0.14 -0.12 -0.01 0.12 0.10 -0.01 0.00 -0.00 0.02 -0.14 -0.10 0.02 -0.07 -0.07 -0.04 0.19 0.13 -0.01 0.00 0.01 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.02 0.02 -0.06 0.14 0.07 -0.02 -0.07 -0.03 0.01 0.00 0.00 0.06 0.03 0.02 0.04 0.08 -0.05 0.04 0.01 -0.03 0.07 -0.06 0.00 0.04 -0.04 0.37 0.31 -0.02 -0.01 -0.01 -0.02 0.00 -0.00 0.01 -0.19 -0.13 -0.10 0.49 0.36 -0.05 0.09 0.05 0.04 -0.04 0.19 -0.10 0.13 -0.06 -0.03 -0.01 -0.02 0.01 -0.02 -0.01 -0.03 -0.02 -0.02 -0.04 -0.02 -0.03 0.03 -0.03 0.01 -0.01 0.05 0.04 0.06 0.00 0.01 0.06 -0.01 0.05 -0.04 0.06 -0.02 0.09 -0.05 -0.02 -0.05 -0.07 0.02 0.30 0.03 -0.00 -0.11 0.10 0.04 0.03 -0.09 0.02 -0.17 0.13 -0.06 -0.06 -0.01 0.00 -0.08 -0.00 -0.01 -0.09 -0.01 0.02 -0.04 -0.02 -0.04 -0.03 -0.02 0.03 -0.02 -0.03 0.02 -0.03 -0.03 0.03 0.00 0.04 -0.05 -0.06 -0.02 -0.04 0.02 0.02 -0.02 -0.17 0.14 0.02 0.13 0.04 -0.01 0.13 -0.10 0.03 -0.14 -0.38 0.03 0.31 -0.09 0.03 -0.35 0.22 -0.12 -0.15 0.15 -0.19 -0.02 0.08 -0.14 -0.08 -0.01 0.03 -0.07 -0.05 -0.06 -0.06 -0.03 -0.05 -0.02 0.00 0.04 -0.04 -0.02 0.03 0.09 -0.00 0.01 0.01 0.09 -0.11 0.02 0.08 -0.11 -0.09 -0.03 -0.06 -0.02 -0.04 -0.03 -0.08 -0.04 -0.05 0.00 0.01 -0.01 0.00 0.01 -0.01 0.02 0.03 -0.04 -0.02 -0.02 0.01 -0.04 0.06 -0.06 0.04 0.06 0.06 -0.09 -0.04 0.02 0.01 0.09 -0.06 0.19 -0.03 0.06 -0.05 -0.10 0.04 -0.10 -0.09 -0.00 0.02 0.05 -0.02 0.05 -0.05 0.10 0.12 0.04 -0.06 0.13 -0.05 0.03 0.01 -0.08 -0.03 -0.03 -0.07 0.03 0.03 0.11 -0.06 -0.04 0.06 -0.07 -0.08 -0.03 0.02 0.02 0.02 0.02 -0.03 -0.03 0.03 -0.08 -0.13 0.04 0.29 -0.09 0.07 -0.14 -0.10 0.00 -0.09 -0.07 0.02 -0.11 -0.08 0.01 0.01 0.10 -0.04 -0.10 0.23 -0.09 0.26 0.05 -0.02 0.21 -0.07 0.08 0.04 -0.01 -0.01 0.04 -0.09 -0.04 -0.15 -0.15 0.06 -0.12 0.08 -0.13 -0.29 0.07 -0.13 -0.11 -0.15 0.18 -0.12 -0.12 0.15 0.10 0.05 0.07 -0.11 0.08 0.00 0.09 0.07 0.07 -0.06 -0.05 0.04 -0.05 -0.04 0.04 -0.03 0.01 -0.01 0.04 -0.00 0.02 0.18 -0.04 -0.08 0.06 0.15 -0.12 0.07 -0.05 0.12 -0.18 0.04 0.04 -0.18 -0.03 -0.03 0.03 -0.00 0.03 0.03 0.04 -0.01 0.02 -0.03 0.01 0.03 -0.14 0.12 -0.05 0.10 -0.06 -0.04 -0.10 0.14 -0.02 0.10 0.05 -0.03 -0.09 0.17 -0.00 0.04 -0.09 -0.05 0.01 -0.07 -0.14 0.06 -0.12 -0.03 -0.02 -0.03 0.00 -0.00 0.00 0.04 0.02 0.03 0.07 -0.12 -0.01 0.07 0.10 -0.02 0.06 0.11 -0.05 -0.07 0.01 -0.06 -0.01 -0.04 0.00 0.07 -0.09 0.02 -0.03 -0.04 -0.00 0.08 -0.12 0.22 -0.05 0.12 0.01 -0.04 0.03 -0.04 -0.22 -0.10 0.29 -0.18 0.05 -0.13 -0.20 0.06 -0.19 -0.17 0.03 -0.12 -0.13 -0.02 -0.04 -0.12 -0.08 -0.12 0.15 -0.13 0.02 -0.13 -0.07 -0.11 -0.03 -0.02 0.02 -0.04 -0.02 0.02 0.00 0.04 -0.06 0.02 0.01 0.01 0.10 0.21 0.05 0.03 -0.16 0.03 0.07 -0.14 0.07 -0.08 0.01 -0.18 -0.03 0.14 0.16 0.01 -0.09 -0.09 -0.11 -0.09 -0.00 0.10 -0.05 0.02 0.01 -0.06 -0.08 -0.09 0.04 0.05 -0.07 0.02 0.01 -0.04 -0.07 -0.05 -0.00 0.05 0.01 -0.02 -0.09 -0.02 0.01 -0.03 0.02 -0.01 0.03 -0.04 -0.08 -0.01 -0.05 0.01 0.02 -0.02 0.00 -0.26 -0.03 0.11 0.22 0.16 -0.31 -0.22 0.03 -0.05 0.01 0.10 -0.11 -0.00 0.13 0.30 -0.15 0.09 -0.00 0.05 0.09 0.09 0.02 0.13 -0.13 0.05 -0.01 -0.07 -0.02 -0.09 -0.05 -0.13 -0.13 0.02 0.16 0.07 0.04 0.01 0.07 0.09 -0.05 -0.01 -0.02 0.10 -0.19 0.04 0.01 -0.06 -0.08 -0.02 -0.06 -0.08 -0.02 -0.04 -0.09 -0.00 -0.06 0.02 0.02 -0.02 0.01 0.01 -0.02 0.01 0.01 -0.01 -0.06 0.01 -0.03 -0.04 -0.00 -0.01 0.08 -0.09 0.10 -0.05 0.02 -0.00 0.04 0.01 -0.01 0.02 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.04 0.08 0.14 -0.15 -0.06 -0.14 -0.12 -0.08 0.05 0.01 -0.01 -0.00 0.23 -0.09 0.08 0.01 0.04 0.10 0.21 0.01 0.06 -0.14 0.14 -0.22 0.02 0.00 0.01 0.01 0.02 -0.03 0.00 0.00 0.01 -0.01 -0.03 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.02 0.02 -0.01 -0.01 0.01 -0.01 0.02 -0.00 -0.01 -0.10 -0.14 0.00 0.03 0.01 0.01 0.02 -0.00 0.01 0.30 -0.26 -0.08 0.23 -0.09 -0.00 -0.04 0.17 -0.08 -0.08 0.17 -0.15 -0.18 0.31 -0.36 0.04 0.02 0.03 -0.03 0.03 0.00 0.04 0.02 0.03 0.07 0.05 -0.04 0.07 0.05 -0.06 0.00 -0.06 0.08 0.07 -0.01 0.02 0.08 0.02 -0.05 0.03 -0.05 0.04 0.03 -0.03 0.05 -0.04 0.04 -0.04 -0.03 -0.01 -0.00 0.00 -0.02 0.02 -0.01 -0.01 -0.00 0.02 -0.01 0.00 -0.04 0.26 0.14 0.00 -0.21 -0.09 -0.03 -0.00 -0.03 -0.01 0.02 0.01 -0.13 -0.01 -0.12 -0.10 0.13 0.12 -0.13 -0.00 -0.00 0.04 -0.04 0.05 -0.01 -0.00 -0.01 0.02 0.01 -0.01 0.00 -0.02 0.02 0.01 -0.06 0.01 -0.00 0.01 -0.01 0.00 0.02 -0.01 -0.05 -0.02 -0.02 0.01 -0.00 -0.00 0.01 0.00 -0.01 0.04 -0.01 -0.00 -0.08 -0.13 -0.19 -0.02 0.04 -0.01 -0.01 -0.01 -0.03 -0.09 -0.40 -0.41 -0.06 -0.22 -0.15 0.08 0.09 0.21 0.14 -0.06 0.28 -0.07 0.23 -0.14 -0.04 -0.02 -0.04 0.04 -0.03 0.01 -0.04 -0.02 -0.03 -0.02 -0.01 0.01 -0.02 0.00 -0.00 0.02 0.06 -0.08 0.08 -0.01 0.04 -0.01 -0.04 -0.09 0.20 0.06 0.32 -0.09 0.02 0.02 0.03 0.05 -0.02 0.01 -0.07 -0.08 -0.00 -0.02 0.05 0.01 0.01 0.00 -0.00 0.00 -0.00 0.14 -0.06 -0.09 -0.17 0.05 0.14 -0.10 -0.08 0.00 0.00 0.01 0.01 -0.07 0.05 -0.16 -0.15 -0.14 -0.06 -0.08 0.05 -0.04 -0.02 0.02 -0.01 0.02 0.00 0.01 0.04 0.06 -0.06 -0.00 0.07 0.02 0.12 -0.15 -0.06 0.07 0.07 -0.01 0.01 0.02 -0.03 -0.05 -0.03 -0.06 -0.07 0.05 -0.03 0.00 0.01 -0.03 0.05 -0.03 -0.04 -0.30 0.06 -0.04 0.03 0.05 0.03 0.03 0.00 0.01 -0.21 0.28 0.08 -0.00 0.24 0.20 0.16 -0.14 0.04 -0.06 0.15 -0.30 0.10 -0.05 -0.03 0.05 0.01 0.03 -0.01 0.02 0.01 0.04 0.02 0.02 -0.01 0.03 -0.05 -0.00 0.02 -0.04 0.04 0.11 -0.11 0.02 0.10 -0.12 0.03 0.00 -0.05 -0.02 0.03 0.13 0.04 -0.04 0.02 -0.01 0.04 -0.04 -0.01 -0.03 -0.05 -0.00 -0.02 0.04 -0.01 -0.01 0.00 0.01 -0.01 0.00 -0.09 0.08 0.02 0.04 0.11 0.03 0.09 0.05 -0.16 0.00 0.04 0.02 -0.07 -0.08 -0.02 0.12 -0.14 0.02 -0.09 -0.13 0.25 -0.05 0.08 -0.08 0.00 0.01 0.00 -0.10 -0.19 0.23 -0.00 0.04 0.02 0.02 -0.10 -0.05 0.04 0.05 -0.01 -0.00 0.01 -0.03 -0.05 -0.04 -0.05 -0.04 0.03 -0.02 0.01 0.00 -0.03 0.06 -0.03 -0.03 0.15 -0.05 -0.21 -0.03 0.04 -0.00 -0.01 0.01 -0.01 0.13 -0.02 -0.11 -0.12 -0.04 0.31 -0.04 0.03 -0.13 -0.09 0.10 -0.21 0.02 -0.02 -0.04 -0.03 -0.02 -0.04 0.09 -0.04 0.02 -0.04 -0.02 -0.03 0.03 -0.12 0.15 0.03 -0.12 0.16 -0.10 -0.28 0.34 0.03 0.03 -0.05 0.00 -0.00 -0.01 0.02 0.02 0.07 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.04 -0.18 -0.15 0.02 -0.15 -0.11 -0.02 0.11 0.06 -0.00 0.00 0.00 -0.03 0.11 0.05 -0.04 0.19 0.17 0.00 -0.15 -0.07 -0.01 -0.01 -0.03 0.00 0.00 0.00 -0.04 -0.08 0.09 -0.00 0.01 0.00 0.03 -0.02 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.09 0.44 0.31 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.06 0.44 0.29 0.03 -0.17 -0.07 0.00 0.06 0.04 0.07 -0.02 0.15 -0.11 0.17 -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 0.07 0.01 -0.05 0.06 -0.04 -0.10 0.12 0.11 0.12 -0.12 -0.02 -0.00 0.04 0.04 -0.03 -0.10 -0.04 0.04 -0.02 0.01 -0.03 0.04 0.00 0.03 0.05 0.00 0.01 -0.03 0.01 0.01 -0.00 -0.01 0.01 -0.00 0.07 0.04 0.06 -0.11 -0.03 0.06 -0.14 -0.14 0.12 -0.00 -0.04 -0.02 0.06 0.02 -0.05 -0.09 0.00 -0.11 0.07 0.19 -0.17 0.03 -0.07 0.10 -0.00 -0.01 -0.01 -0.12 -0.23 0.27 0.00 -0.04 -0.01 -0.02 0.08 0.04 -0.04 -0.04 0.01 0.00 -0.01 0.02 0.05 0.03 0.04 0.04 -0.03 0.02 -0.01 -0.00 0.02 -0.05 0.03 0.03 -0.22 -0.21 -0.01 0.03 -0.03 0.00 0.01 -0.01 0.01 -0.11 -0.19 -0.07 0.09 0.16 -0.20 0.10 -0.10 0.15 0.03 -0.02 0.03 0.05 -0.05 0.06 0.03 0.02 0.04 -0.09 0.04 -0.02 0.04 0.02 0.03 -0.04 -0.18 0.21 -0.04 -0.17 0.22 -0.11 -0.22 0.26 -0.00 0.00 -0.00 -0.12 0.03 -0.02 -0.08 -0.02 0.06 0.22 -0.18 0.03 0.01 0.05 -0.08 0.02 -0.04 -0.11 -0.00 -0.02 0.07 -0.02 -0.02 0.01 0.02 -0.02 0.01 -0.05 -0.01 -0.01 -0.02 -0.00 0.00 -0.05 -0.02 0.01 -0.00 0.18 0.10 0.06 -0.01 0.01 0.01 0.03 -0.03 0.09 0.07 -0.08 0.04 -0.04 0.06 0.03 0.05 0.05 -0.00 -0.00 0.00 0.01 0.10 0.03 -0.05 -0.10 -0.11 0.10 0.10 -0.02 -0.02 -0.00 -0.07 -0.12 -0.09 -0.10 -0.09 0.07 -0.04 0.02 0.01 -0.06 0.14 -0.07 -0.06 -0.06 0.00 0.03 -0.12 0.13 -0.00 -0.06 0.07 -0.04 0.05 0.03 0.04 0.05 0.11 -0.08 0.04 -0.04 0.06 0.03 -0.04 0.06 0.04 -0.05 0.07 -0.17 -0.12 -0.19 0.54 -0.22 0.14 -0.24 -0.12 -0.16 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.03 -0.02 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.03 0.08 0.06 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.02 -0.09 -0.05 0.00 0.05 0.02 0.03 -0.07 -0.08 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 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 0.00 0.00 0.01 -0.11 -0.08 0.01 -0.02 0.00 -0.01 -0.00 0.00 -0.06 0.48 0.39 -0.10 0.60 0.43 0.01 -0.00 0.02 0.02 -0.01 0.03 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.03 0.01 -0.01 0.02 0.00 0.01 -0.01 -0.00 -0.02 0.00 -0.02 0.01 -0.00 0.03 0.02 0.01 0.00 0.00 -0.07 -0.03 -0.03 0.07 -0.00 -0.06 0.04 -0.05 -0.01 0.01 0.02 0.01 0.02 -0.00 0.14 0.01 -0.02 -0.09 0.07 0.05 -0.01 -0.08 0.04 -0.03 0.05 0.01 0.01 0.01 -0.01 0.01 0.03 -0.00 0.01 -0.03 0.03 0.06 -0.02 0.01 -0.03 -0.03 -0.01 0.02 -0.04 -0.04 0.02 -0.02 0.02 -0.03 0.01 0.01 0.05 0.00 -0.00 0.00 0.02 -0.20 -0.03 0.04 0.02 0.14 -0.13 -0.11 0.02 0.10 0.06 0.13 0.18 0.15 0.15 0.12 -0.09 0.05 -0.15 0.07 0.10 -0.23 0.13 0.10 0.02 -0.01 -0.01 -0.23 0.27 -0.17 0.29 -0.08 -0.10 -0.06 0.05 0.02 -0.01 0.02 0.10 -0.03 0.03 -0.04 -0.02 0.02 -0.03 -0.03 0.03 -0.04 0.28 -0.08 -0.08 0.25 -0.02 -0.04 -0.28 0.10 -0.23 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.03 0.01 0.01 -0.03 0.00 0.02 -0.01 0.04 -0.02 -0.00 -0.01 0.00 -0.01 0.00 -0.06 -0.01 0.01 0.04 -0.03 -0.02 0.01 0.03 -0.02 0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.05 0.04 0.01 -0.00 0.01 0.01 0.01 -0.01 0.02 0.02 -0.01 0.01 -0.01 0.02 -0.03 -0.03 0.02 0.00 0.00 -0.00 -0.01 0.09 0.01 -0.02 -0.01 -0.06 0.05 0.05 -0.01 -0.04 -0.03 -0.05 -0.08 -0.06 -0.06 -0.05 0.04 -0.02 0.06 -0.03 -0.04 0.10 -0.06 -0.04 -0.01 -0.00 0.00 -0.25 0.30 -0.23 0.46 -0.15 -0.11 0.02 -0.01 -0.00 0.00 0.00 -0.03 0.01 -0.01 0.02 0.01 -0.01 0.02 0.01 -0.01 0.02 0.48 -0.03 0.01 -0.04 0.11 -0.17 -0.28 0.23 -0.24 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.11 -0.04 -0.09 -0.20 -0.00 0.21 -0.03 0.01 -0.01 -0.01 0.05 -0.03 -0.01 -0.05 0.11 0.02 -0.06 -0.10 0.11 0.06 -0.01 -0.12 0.06 -0.03 -0.14 -0.02 -0.03 -0.03 0.02 -0.02 -0.08 -0.01 -0.06 0.00 -0.00 -0.00 0.06 -0.02 0.07 0.08 0.04 -0.05 0.10 0.09 -0.04 0.06 -0.05 0.09 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.24 -0.04 0.11 -0.08 0.12 -0.15 -0.10 0.02 0.20 0.16 0.18 0.18 0.19 0.17 0.12 -0.07 0.05 -0.23 0.12 0.12 -0.25 0.17 0.12 -0.08 0.16 0.10 -0.01 -0.03 -0.01 0.01 -0.00 0.00 0.16 -0.06 -0.03 0.02 -0.07 -0.25 0.08 -0.08 0.09 0.05 -0.05 0.06 0.08 -0.08 0.10 0.02 0.02 0.03 -0.06 0.02 -0.02 0.04 0.02 0.02 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.01 -0.07 -0.07 -0.03 -0.00 0.03 -0.03 -0.03 -0.03 0.00 -0.01 0.03 0.01 0.10 0.12 -0.02 0.19 0.01 -0.15 -0.03 -0.05 0.16 -0.02 -0.01 -0.01 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.04 -0.04 -0.02 0.04 0.01 0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.05 0.02 0.03 -0.00 0.00 -0.00 -0.03 0.10 0.03 0.08 0.10 0.13 -0.05 -0.19 0.00 -0.35 -0.37 -0.08 0.19 0.03 0.06 0.05 -0.15 0.01 0.38 -0.28 -0.02 -0.11 -0.03 -0.01 -0.05 0.28 0.22 -0.06 0.01 -0.03 -0.05 0.01 -0.02 0.01 0.03 0.01 0.01 -0.03 -0.03 0.02 -0.04 -0.01 -0.02 0.01 -0.05 0.04 -0.04 0.03 -0.00 -0.03 -0.03 0.19 -0.06 0.06 -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 -0.00 -0.00 0.02 0.02 0.00 -0.02 -0.03 0.02 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.03 0.00 -0.03 0.00 0.02 0.00 0.01 -0.02 0.00 0.00 0.00 0.06 0.05 0.00 0.00 0.01 0.03 -0.13 -0.08 0.01 -0.01 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.01 0.03 0.01 -0.02 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.03 0.01 0.04 -0.00 0.06 0.07 0.01 -0.05 -0.02 -0.02 -0.02 0.03 -0.00 -0.06 0.05 -0.00 0.03 -0.00 -0.00 -0.11 0.72 0.58 0.02 -0.00 0.01 0.02 -0.00 0.01 -0.01 0.04 0.02 0.01 0.00 0.02 0.00 -0.07 -0.07 -0.09 0.03 -0.15 0.09 -0.11 0.08 0.00 0.01 0.01 -0.06 0.02 -0.02 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 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.06 0.01 0.01 0.01 -0.08 -0.03 -0.01 0.08 0.03 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.06 -0.05 -0.00 -0.01 -0.00 -0.01 0.05 0.04 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.16 -0.01 -0.02 -0.02 0.01 -0.00 -0.31 -0.06 -0.06 0.21 0.24 0.13 -0.25 -0.03 0.02 -0.33 0.02 -0.01 0.27 -0.22 -0.09 -0.23 -0.01 -0.07 0.01 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.06 0.35 0.27 0.06 -0.32 -0.24 -0.01 0.02 0.00 0.01 -0.01 0.03 -0.02 0.02 -0.02 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.02 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.06 -0.01 -0.01 0.00 0.07 0.02 0.01 -0.07 -0.02 -0.00 0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.08 -0.06 0.00 -0.01 -0.01 -0.01 0.07 0.05 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.06 -0.00 0.01 0.01 0.00 -0.00 0.22 0.03 0.05 -0.15 -0.18 -0.08 0.23 0.06 0.01 0.23 0.01 -0.00 -0.21 0.18 0.04 0.24 -0.02 0.04 0.00 -0.02 -0.02 0.01 0.00 0.00 0.01 0.00 0.00 -0.08 0.45 0.35 0.07 -0.41 -0.32 -0.00 0.02 0.01 0.02 -0.01 0.04 -0.02 0.03 -0.02 -0.00 0.00 0.00 -0.02 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.03 0.00 0.02 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.02 0.01 0.02 -0.00 0.00 -0.00 0.02 0.00 0.01 0.06 0.02 0.01 -0.06 -0.07 0.05 -0.04 0.06 -0.07 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.43 0.04 0.05 -0.00 -0.00 0.01 0.26 0.21 -0.01 -0.08 -0.04 -0.21 -0.29 -0.25 -0.23 0.28 -0.20 0.07 -0.07 -0.02 0.19 -0.40 0.21 0.16 -0.01 0.00 -0.01 0.03 0.00 0.01 0.02 0.00 0.01 -0.01 0.05 0.05 -0.01 -0.04 -0.04 0.01 -0.01 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.06 0.02 -0.02 0.01 0.01 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.08 -0.03 -0.04 0.07 0.01 0.00 0.18 0.07 0.15 0.00 0.04 -0.02 -0.01 -0.02 0.03 -0.01 0.05 -0.01 -0.02 0.02 -0.04 0.05 0.00 0.01 -0.03 -0.00 -0.02 -0.03 0.01 -0.02 -0.03 0.04 -0.06 0.10 -0.07 0.02 0.01 -0.04 0.06 0.02 0.02 -0.02 -0.01 -0.00 -0.00 0.01 -0.03 0.03 -0.16 -0.04 -0.10 0.02 -0.00 0.01 -0.12 0.00 -0.01 -0.04 -0.07 0.04 -0.12 -0.14 0.00 -0.07 -0.09 0.06 0.17 0.11 0.11 -0.07 -0.02 -0.01 0.15 -0.10 -0.04 -0.03 -0.03 -0.03 -0.06 0.03 -0.10 0.27 0.06 0.16 0.23 0.02 0.13 0.02 -0.07 0.04 -0.12 0.03 -0.05 0.08 -0.05 0.09 0.03 0.01 0.01 0.03 0.01 -0.01 -0.03 0.09 0.08 -0.57 0.18 -0.18 0.02 0.11 0.03 -0.06 -0.05 0.03 -0.06 -0.02 0.04 0.02 0.08 -0.09 -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 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.09 -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 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.03 0.02 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.16 -0.25 0.61 0.10 0.56 -0.37 -0.03 0.18 0.14 -0.03 0.01 -0.02 0.00 0.01 0.02 0.14 0.00 -0.02 -0.06 -0.01 -0.03 0.00 -0.02 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.03 0.01 -0.02 -0.06 0.01 -0.03 -0.05 0.07 -0.12 -0.05 0.01 -0.02 0.02 -0.09 0.12 0.05 0.04 -0.04 -0.03 -0.01 0.01 -0.00 -0.05 0.07 0.06 0.02 0.04 0.09 -0.01 0.04 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.02 -0.00 0.03 0.03 0.00 -0.03 -0.01 -0.01 -0.02 0.03 -0.00 -0.03 0.03 -0.01 0.04 -0.01 -0.01 -0.13 0.16 -0.11 -0.09 -0.01 -0.05 -0.09 -0.02 -0.05 0.00 -0.08 0.14 -0.27 0.03 -0.12 0.22 -0.15 0.23 0.05 0.09 -0.07 0.08 0.04 -0.08 0.01 -0.04 -0.03 0.21 -0.07 0.07 -0.00 -0.05 -0.01 -0.25 -0.19 0.11 -0.26 -0.12 0.16 0.09 0.31 -0.38 0.02 -0.01 0.02 -0.01 0.00 0.01 0.08 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 0.00 -0.00 -0.00 0.00 -0.03 -0.00 -0.00 -0.03 0.02 -0.03 -0.03 0.05 -0.08 -0.02 -0.00 -0.01 -0.00 -0.05 0.06 0.02 0.01 -0.01 -0.02 0.02 -0.02 0.02 -0.03 0.04 0.02 0.00 0.01 -0.12 0.02 -0.05 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.07 0.09 -0.07 -0.03 -0.00 -0.02 -0.03 -0.01 -0.02 -0.08 -0.08 0.10 -0.13 0.03 -0.09 0.08 -0.06 0.09 0.03 -0.00 0.01 0.04 -0.01 0.01 0.00 -0.01 -0.01 0.06 -0.02 0.02 0.00 -0.02 0.00 0.33 0.24 -0.15 0.35 0.16 -0.22 -0.12 -0.43 0.53 0.00 0.00 -0.00 -0.00 0.00 0.00 0.06 -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 0.00 -0.00 -0.03 0.01 -0.01 0.00 0.04 -0.05 -0.11 -0.02 0.00 -0.02 -0.01 -0.02 0.03 -0.00 0.01 -0.02 -0.00 -0.00 -0.03 -0.03 0.04 0.14 0.04 -0.02 0.02 0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.22 0.01 -0.04 -0.03 -0.00 -0.02 -0.03 -0.01 -0.02 0.16 0.06 -0.04 -0.05 -0.03 0.03 -0.40 0.26 -0.43 -0.03 -0.33 0.32 -0.03 -0.25 0.41 0.01 -0.01 -0.01 0.05 -0.02 0.02 0.01 -0.02 0.00 -0.02 -0.02 0.01 -0.02 -0.01 0.02 0.01 0.03 -0.04 -0.00 -0.00 -0.00 -0.03 -0.07 -0.07 -0.03 0.00 0.02 0.12 0.13 0.13 -0.00 0.00 0.01 0.00 0.23 -0.00 -0.00 -0.09 0.04 0.03 -0.04 0.03 -0.03 -0.04 0.03 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.01 -0.14 -0.13 -0.13 -0.01 0.02 -0.01 0.02 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.02 -0.01 0.09 0.01 0.04 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.04 0.63 -0.05 0.03 0.11 -0.01 0.14 0.15 0.01 -0.19 -0.09 -0.06 -0.05 0.10 -0.02 -0.14 0.12 -0.02 0.21 -0.06 -0.02 0.02 -0.03 0.02 -0.14 -0.04 -0.13 -0.18 -0.10 -0.11 0.01 -0.01 -0.04 0.02 0.01 0.01 0.02 0.01 0.06 0.04 0.01 0.04 -0.04 0.06 -0.06 0.07 -0.06 -0.04 0.24 -0.09 0.08 0.05 -0.10 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 -0.05 -0.04 0.02 -0.00 -0.00 -0.07 -0.11 -0.09 0.01 -0.03 0.03 0.02 0.21 0.02 0.01 -0.06 0.03 0.03 -0.05 0.03 -0.03 -0.04 0.03 0.02 0.00 -0.01 -0.01 0.01 -0.02 -0.04 0.00 -0.01 0.15 0.12 0.13 0.00 -0.01 0.01 0.03 0.01 -0.01 -0.02 -0.01 0.01 0.02 0.00 0.01 -0.10 -0.00 -0.05 -0.00 0.00 -0.00 0.01 0.00 0.01 0.07 0.55 -0.02 0.01 0.11 -0.01 0.14 0.15 0.00 -0.21 -0.10 -0.07 -0.04 0.11 -0.02 -0.16 0.14 -0.03 0.23 -0.07 -0.02 -0.09 0.01 -0.05 0.19 0.07 0.16 0.22 0.12 0.14 0.01 -0.01 0.01 -0.08 0.00 -0.02 -0.03 0.01 -0.04 -0.00 -0.04 0.03 0.01 -0.05 0.07 -0.08 0.07 0.04 -0.27 0.09 -0.09 -0.06 0.10 -0.03 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 -0.01 -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 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.11 0.08 0.00 -0.04 -0.03 0.01 0.01 0.01 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.02 -0.12 -0.09 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.18 0.14 0.01 0.00 0.01 0.01 0.01 0.01 0.01 -0.03 -0.03 -0.02 0.05 0.03 -0.05 0.26 0.20 0.33 -0.13 0.53 -0.37 0.39 -0.30 -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 -0.01 -0.00 0.00 0.01 -0.05 -0.01 0.00 -0.01 0.02 0.01 0.07 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.03 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.02 -0.02 -0.03 0.06 -0.10 -0.18 -0.18 0.20 -0.00 -0.01 -0.00 -0.14 0.13 -0.19 0.48 0.12 -0.04 -0.03 -0.07 0.08 -0.03 -0.04 0.06 0.00 0.00 0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.00 -0.02 -0.10 0.00 -0.01 -0.02 0.00 -0.02 -0.02 -0.00 0.03 0.01 0.01 -0.00 -0.01 0.00 0.02 -0.01 -0.00 -0.02 0.01 -0.00 -0.15 -0.22 0.22 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.08 0.25 -0.29 -0.23 -0.01 -0.03 0.24 -0.17 0.25 0.04 0.08 -0.04 0.09 -0.00 -0.06 -0.01 -0.00 -0.01 0.02 -0.01 0.01 -0.01 -0.01 -0.00 0.01 0.02 -0.01 0.01 0.01 -0.02 -0.02 -0.09 0.11 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.04 0.05 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 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.16 -0.15 -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 -0.10 0.16 0.04 0.00 -0.00 0.00 -0.01 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 -0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.13 -0.17 -0.03 0.13 -0.15 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 -0.39 -0.11 -0.34 0.44 -0.15 0.13 -0.47 -0.17 -0.23 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.01 0.01 0.25 0.02 -0.01 -0.10 -0.00 -0.08 -0.12 -0.02 0.09 -0.02 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.02 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 0.52 0.10 0.01 0.01 0.01 0.01 -0.12 -0.27 -0.01 -0.22 -0.25 -0.01 0.17 0.05 0.03 -0.25 0.32 -0.04 -0.24 0.23 -0.11 0.26 -0.08 -0.04 0.06 -0.02 0.03 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.11 0.06 -0.03 -0.01 -0.01 0.00 0.02 -0.01 0.02 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.00 -0.01 0.00 0.03 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.01 -0.03 -0.00 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.05 -0.01 -0.00 -0.01 0.04 -0.05 0.03 -0.03 0.04 0.00 0.00 0.00 0.07 0.01 0.00 -0.11 0.03 -0.07 -0.07 -0.03 0.03 -0.02 -0.03 0.04 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.06 -0.00 -0.01 -0.00 0.02 0.00 0.02 0.04 0.00 0.03 0.03 -0.01 -0.03 -0.01 -0.01 0.02 -0.03 0.00 0.03 -0.02 0.00 -0.02 0.00 -0.00 0.31 -0.11 0.19 0.00 0.00 0.00 0.00 -0.00 0.00 0.75 0.32 -0.25 -0.13 -0.02 -0.00 0.12 -0.09 0.14 0.03 0.05 -0.03 0.03 0.02 -0.05 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 0.02 -0.02 0.03 0.02 -0.02 -0.01 -0.02 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.05 0.03 0.01 0.10 -0.12 0.02 -0.05 0.22 -0.00 0.01 -0.11 -0.01 0.01 -0.09 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 -0.01 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 0.07 -0.32 0.32 -0.03 -0.25 -0.08 -0.31 -0.32 -0.02 -0.00 -0.07 0.23 0.16 0.21 0.21 0.28 -0.19 0.04 -0.10 -0.01 0.20 -0.18 0.17 0.16 0.00 0.00 0.01 0.01 0.04 0.01 0.01 -0.02 -0.01 0.05 0.01 -0.02 -0.03 0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 -0.01 -0.00 0.01 0.02 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.04 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.07 0.14 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.05 0.05 -0.10 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 -0.00 0.01 0.00 0.02 -0.00 0.01 0.02 -0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.00 0.02 -0.00 0.01 -0.01 0.53 0.09 0.14 -0.41 -0.31 -0.02 -0.00 0.00 0.02 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.39 0.10 -0.01 -0.09 -0.10 0.20 0.29 -0.19 0.17 -0.00 -0.00 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 0.01 0.00 0.01 0.00 -0.02 0.02 0.00 -0.02 0.03 -0.02 0.20 0.01 0.05 -0.10 -0.03 -0.03 -0.11 -0.04 -0.04 -0.01 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.00 -0.01 -0.01 -0.00 0.00 0.03 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.02 0.26 -0.01 -0.02 -0.27 0.07 -0.34 0.02 -0.10 0.26 0.25 0.09 -0.33 -0.05 0.02 0.34 0.05 -0.02 -0.29 0.20 0.03 0.31 0.00 0.09 0.12 -0.04 0.06 -0.00 -0.03 -0.01 -0.01 0.02 0.02 -0.06 -0.01 0.01 0.14 -0.02 0.06 0.01 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 0.02 -0.01 -0.00 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.08 0.01 -0.00 -0.02 -0.01 -0.01 -0.00 0.02 -0.02 0.00 0.02 -0.01 0.00 -0.04 0.01 -0.01 0.02 0.00 0.01 0.02 0.00 -0.12 -0.02 -0.00 -0.06 0.05 -0.08 -0.00 0.01 -0.01 0.01 0.01 0.00 -0.06 0.01 -0.03 -0.03 -0.01 0.00 0.09 -0.00 0.02 0.03 -0.02 0.03 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.07 0.02 -0.00 0.09 -0.02 0.05 -0.01 0.02 -0.05 -0.05 -0.01 0.07 0.02 0.00 -0.05 -0.02 0.01 0.05 -0.04 0.00 -0.07 0.01 -0.01 0.51 -0.13 0.27 0.01 -0.01 0.00 0.00 0.01 0.01 -0.32 -0.10 0.06 0.57 -0.12 0.28 0.05 -0.03 0.05 0.02 -0.05 0.07 0.02 -0.05 0.07 0.01 -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 0.05 -0.06 0.01 -0.00 0.01 -0.01 0.08 -0.07 -0.12 -0.01 0.01 0.03 -0.00 0.02 0.01 -0.13 0.12 -0.00 -0.01 0.00 0.00 -0.01 -0.04 -0.00 0.01 0.02 -0.00 0.01 0.02 0.23 0.02 0.01 -0.06 0.13 -0.18 -0.00 0.00 0.00 -0.02 -0.00 -0.01 0.04 -0.01 0.02 -0.08 0.08 -0.12 -0.03 -0.11 0.13 0.01 -0.06 0.08 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.05 -0.04 0.00 -0.21 0.02 0.07 0.04 0.01 -0.01 0.00 -0.04 0.00 -0.04 -0.04 -0.06 0.02 -0.00 0.03 -0.00 -0.04 0.01 -0.03 -0.04 -0.24 0.05 -0.16 -0.02 0.01 -0.01 0.04 0.04 0.04 -0.26 -0.17 0.15 0.42 -0.22 0.39 0.15 -0.12 0.19 0.07 0.01 0.05 0.08 -0.04 0.02 -0.00 0.01 0.01 -0.01 -0.00 0.00 0.03 -0.01 0.01 0.04 0.02 -0.02 0.04 0.02 -0.02 -0.01 0.04 -0.05 0.01 -0.00 0.00 0.02 -0.14 0.15 -0.09 -0.01 -0.02 -0.02 0.02 -0.03 -0.02 0.26 -0.25 -0.00 -0.05 -0.01 -0.00 0.06 0.09 0.01 -0.03 -0.06 -0.01 -0.03 -0.05 0.21 0.04 -0.01 -0.04 0.07 -0.10 -0.01 -0.01 0.01 0.02 -0.01 0.01 0.06 -0.00 0.02 -0.03 0.05 -0.08 -0.05 -0.08 0.09 0.01 -0.03 0.04 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.02 0.26 0.03 0.03 0.42 -0.06 -0.17 -0.08 -0.04 0.06 0.03 0.12 -0.03 0.08 0.10 0.18 -0.03 -0.00 -0.09 0.03 0.09 0.03 0.08 0.09 -0.24 0.07 -0.11 0.03 -0.01 0.01 -0.15 -0.15 -0.16 -0.22 -0.15 0.13 0.05 -0.11 0.15 0.08 -0.06 0.10 0.04 -0.00 0.04 0.04 -0.03 0.01 0.01 -0.02 -0.01 0.02 0.00 -0.01 -0.06 0.01 -0.03 0.02 0.01 -0.01 0.02 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.01 0.01 -0.03 0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.03 0.07 -0.00 -0.00 0.00 -0.00 -0.04 0.00 -0.00 -0.06 0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.48 0.28 0.38 -0.47 -0.27 -0.36 0.01 0.01 -0.01 0.02 -0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.21 -0.07 0.01 0.05 0.05 -0.09 -0.18 0.11 -0.09 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.04 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.09 -0.12 0.19 0.08 0.16 -0.18 -0.16 0.06 -0.12 0.00 -0.00 -0.00 0.18 0.11 -0.11 0.01 -0.22 0.28 -0.16 0.05 -0.10 -0.01 -0.03 0.04 -0.00 -0.00 0.01 0.03 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.04 0.00 0.02 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.44 -0.09 0.20 0.05 0.03 0.04 -0.06 -0.04 -0.05 -0.23 -0.06 0.05 -0.33 0.10 -0.20 0.17 -0.10 0.17 0.09 0.04 0.08 0.11 -0.07 -0.00 0.02 -0.01 0.00 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.08 -0.06 0.04 -0.08 -0.04 0.05 0.03 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.03 -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 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.08 0.08 -0.09 -0.15 -0.03 0.00 0.05 -0.00 0.02 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.01 0.03 -0.02 0.04 0.04 0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.01 -0.01 -0.00 0.00 -0.05 0.01 0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.56 -0.14 0.29 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.20 -0.11 0.09 -0.54 0.11 -0.26 -0.02 0.03 -0.05 -0.06 -0.14 0.07 -0.07 -0.05 0.14 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.07 -0.04 0.06 -0.07 -0.06 0.04 0.01 -0.09 0.12 -0.00 0.00 -0.00 0.00 0.04 -0.02 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.03 0.04 -0.00 -0.09 0.02 -0.05 -0.06 0.06 0.01 -0.00 -0.06 0.02 0.02 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 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 0.25 0.70 -0.13 0.03 0.54 -0.05 -0.04 -0.06 -0.04 0.06 0.03 0.16 0.08 0.13 0.13 0.00 -0.08 0.00 0.01 -0.03 0.10 -0.09 0.04 0.02 0.03 -0.01 0.01 0.04 0.04 0.04 -0.01 0.00 -0.00 0.01 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 0.02 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 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 -0.14 0.01 -0.04 0.03 -0.02 -0.03 0.01 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 0.86 -0.16 0.15 -0.01 -0.18 0.02 -0.06 0.05 -0.05 0.11 0.10 0.06 -0.00 0.08 0.10 -0.08 -0.01 0.05 0.17 -0.09 -0.11 0.09 -0.13 -0.14 -0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.04 0.07 -0.08 -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 -0.09 0.03 -0.05 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.02 -0.02 0.11 -0.02 0.06 -0.01 0.00 -0.00 0.01 0.02 -0.01 0.02 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.31 -0.17 0.42 -0.26 -0.43 0.22 0.01 -0.36 0.47 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -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 -0.07 -0.02 -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 -0.09 0.04 -0.02 -0.00 0.00 -0.00 -0.01 -0.03 0.01 -0.00 0.00 -0.00 0.03 0.02 -0.00 0.02 0.03 0.01 0.03 0.01 0.02 0.06 -0.01 0.02 0.04 -0.05 -0.01 0.07 -0.00 -0.01 -0.00 -0.00 0.00 0.34 0.19 0.28 0.35 0.21 0.26 -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 0.37 0.05 0.01 0.40 -0.22 0.08 0.24 -0.09 0.27 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 0.00 0.00 -0.08 -0.05 -0.02 -0.10 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 0.02 -0.01 0.01 0.00 0.00 -0.00 -0.11 -0.00 -0.01 -0.01 0.01 -0.00 0.33 0.15 -0.03 0.16 0.32 0.10 0.33 0.06 0.15 0.38 -0.13 0.12 0.25 -0.34 -0.06 0.41 -0.03 -0.10 0.00 -0.00 0.00 -0.03 -0.01 -0.02 -0.03 -0.01 -0.02 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 -0.07 -0.02 -0.01 -0.07 0.04 -0.02 -0.05 0.01 -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 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -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 0.02 0.01 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 -0.08 0.06 -0.10 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 0.01 0.01 0.01 0.01 0.00 0.01 -0.02 0.01 -0.01 -0.01 0.02 0.00 -0.02 0.00 0.01 -0.03 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.00 0.01 0.00 -0.00 0.38 -0.14 0.26 0.20 -0.05 0.57 0.28 -0.49 0.23 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -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 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.02 -0.00 -0.08 -0.07 -0.02 0.07 -0.05 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.05 0.02 -0.01 -0.09 0.01 0.34 0.23 -0.07 0.20 0.37 0.11 0.35 0.10 0.22 -0.29 0.16 -0.12 -0.22 0.28 0.05 -0.33 0.05 0.13 0.00 0.00 -0.00 -0.06 -0.05 -0.06 -0.06 -0.05 -0.06 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.02 -0.01 0.02 -0.01 0.08 0.04 0.04 0.09 -0.06 0.01 0.07 0.02 0.07 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.02 -0.02 -0.00 -0.01 0.01 -0.01 0.02 0.00 0.00 -0.01 -0.01 0.00 -0.09 -0.02 -0.05 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.10 0.01 0.06 -0.00 0.00 -0.00 0.01 -0.03 0.02 0.00 -0.01 -0.00 0.06 0.05 -0.02 0.04 0.07 0.02 0.06 0.02 0.05 -0.09 0.06 -0.04 -0.07 0.08 0.01 -0.10 0.02 0.05 0.01 -0.01 0.02 0.30 0.22 0.26 0.31 0.23 0.27 -0.04 -0.02 0.02 -0.01 -0.00 0.00 -0.01 0.00 -0.01 0.01 0.02 -0.01 0.02 0.00 -0.02 -0.32 -0.15 -0.18 -0.33 0.24 -0.04 -0.28 -0.11 -0.25 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 0.02 -0.01 0.03 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.10 0.10 -0.16 0.22 -0.00 0.06 -0.12 -0.06 0.05 0.02 0.00 0.01 0.17 0.02 0.01 -0.06 0.04 -0.06 -0.06 -0.05 0.05 -0.07 -0.01 -0.00 -0.02 -0.00 -0.01 -0.01 0.00 -0.01 0.01 0.08 -0.03 -0.01 -0.07 0.01 0.01 -0.02 0.01 0.00 -0.00 0.02 -0.00 -0.01 -0.02 0.00 -0.03 0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.03 0.12 -0.15 0.22 -0.06 -0.04 -0.06 -0.07 -0.05 -0.05 -0.51 -0.30 0.27 -0.13 -0.04 0.03 -0.13 0.03 -0.06 0.19 0.28 -0.02 0.24 -0.00 -0.24 0.04 0.02 0.03 0.05 -0.03 0.00 0.04 0.03 0.03 0.01 0.01 0.05 0.02 -0.04 0.01 -0.01 -0.02 0.03 0.00 -0.00 0.00 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.02 -0.00 -0.10 -0.02 -0.01 0.09 0.01 0.01 -0.02 0.00 -0.01 -0.02 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 -0.61 0.24 0.03 0.62 -0.11 -0.05 0.17 -0.05 -0.04 -0.07 -0.06 -0.07 0.08 0.13 0.03 0.18 -0.05 0.06 -0.06 -0.03 0.04 0.09 0.15 0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.03 -0.01 -0.02 -0.03 -0.01 0.01 -0.02 0.00 -0.01 -0.01 0.01 -0.00 0.02 0.02 0.00 0.02 -0.01 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.05 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.02 0.00 -0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.45 0.18 -0.02 -0.47 -0.07 0.10 -0.10 0.57 0.44 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.00 0.00 -0.00 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 -0.03 0.01 -0.01 0.00 0.01 -0.04 0.02 -0.00 0.00 -0.04 -0.02 -0.00 -0.01 -0.01 0.05 0.03 0.01 0.00 0.00 -0.00 0.00 0.04 -0.02 0.01 -0.04 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.27 0.26 0.33 -0.27 -0.30 0.57 -0.31 -0.28 -0.25 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.01 -0.00 -0.00 -0.04 0.05 -0.04 0.01 -0.03 -0.00 -0.00 -0.00 0.03 -0.01 0.02 0.05 0.02 -0.02 -0.08 0.01 -0.03 0.01 0.03 -0.02 0.00 -0.00 -0.00 -0.05 0.01 -0.02 0.00 -0.01 0.00 0.00 0.01 -0.00 0.01 -0.02 0.01 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.03 -0.01 0.01 -0.01 -0.02 -0.00 0.01 0.02 0.17 -0.04 0.09 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.05 -0.01 0.02 0.19 -0.05 0.11 0.13 -0.08 0.03 -0.19 -0.20 -0.02 -0.20 0.07 0.08 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.29 0.10 0.48 0.39 -0.41 0.08 -0.03 0.16 -0.22 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.01 0.00 -0.00 0.01 -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 -0.01 0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.01 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 0.00 0.01 -0.01 0.00 -0.09 0.55 0.43 0.17 0.33 -0.32 -0.20 -0.26 0.39 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.04 0.02 0.04 0.03 -0.04 0.01 -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 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.01 -0.00 -0.01 0.03 -0.00 -0.01 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.07 0.02 0.00 0.01 -0.01 0.00 0.17 -0.42 0.14 0.10 0.15 0.23 0.01 -0.20 -0.32 0.14 0.47 -0.13 0.18 -0.16 -0.19 -0.07 0.23 0.35 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 0.00 -0.00 0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.01 0.01 0.01 -0.01 -0.01 0.02 -0.01 -0.01 -0.01 -0.02 -0.01 -0.03 -0.03 0.03 -0.01 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 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.04 -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 -0.00 -0.00 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 -0.01 0.00 0.00 -0.00 0.32 0.05 -0.01 -0.06 -0.22 0.45 -0.36 0.13 0.16 0.28 -0.01 0.07 -0.00 0.20 -0.42 -0.27 -0.17 -0.20 0.00 -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 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.03 0.02 0.02 -0.02 -0.02 0.05 -0.02 -0.03 -0.02 -0.01 -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 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.03 0.03 -0.04 0.04 -0.01 0.01 -0.00 0.00 0.00 -0.05 0.00 -0.01 -0.03 -0.03 0.03 0.08 -0.00 0.02 -0.02 -0.03 0.04 0.00 0.00 0.00 -0.03 0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.02 -0.02 0.01 0.00 0.00 0.03 -0.01 -0.00 -0.01 0.02 0.02 -0.00 0.01 0.00 -0.03 -0.02 0.00 0.00 -0.10 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.04 -0.21 0.07 -0.14 -0.26 0.07 -0.18 0.31 0.28 0.10 0.38 -0.08 -0.21 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.23 0.08 0.33 0.30 -0.29 0.05 -0.02 0.14 -0.19 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -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 0.02 -0.04 -0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.02 -0.01 -0.01 -0.02 0.01 -0.02 0.01 0.02 -0.00 0.02 -0.01 0.01 -0.01 0.00 0.01 0.01 0.02 0.00 -0.00 -0.00 0.11 -0.10 0.11 0.18 -0.03 -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 -0.38 0.28 0.42 0.27 -0.16 0.03 -0.07 0.61 -0.19 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 0.01 0.01 -0.06 -0.02 0.03 -0.02 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.16 -0.09 -0.01 -0.20 0.03 -0.06 0.41 -0.14 -0.13 -0.26 -0.06 -0.16 0.25 0.36 0.02 0.37 -0.12 0.16 -0.23 0.00 0.06 0.25 0.34 -0.00 0.00 -0.00 -0.01 0.01 -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 0.02 -0.01 -0.02 -0.01 0.01 -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 -0.00 -0.00 -0.00 0.00 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 -0.00 0.01 -0.03 0.01 0.01 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.09 -0.00 0.00 -0.02 0.01 0.35 -0.10 0.04 -0.01 -0.12 0.46 -0.31 0.02 -0.00 -0.36 -0.15 -0.03 -0.07 -0.13 0.50 0.32 0.08 0.07 0.02 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.02 -0.00 0.01 -0.02 0.01 -0.01 0.02 0.02 0.00 0.02 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -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 0.08 0.00 0.01 -0.07 -0.06 0.07 -0.05 0.04 -0.06 -0.00 0.00 -0.00 -0.01 -0.03 0.04 0.08 0.03 -0.02 -0.09 0.02 -0.05 -0.01 -0.01 0.01 0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.04 0.01 -0.01 -0.00 0.00 -0.05 0.02 0.00 0.00 0.02 0.00 0.00 0.00 0.01 -0.03 -0.02 -0.01 -0.01 0.33 -0.06 0.15 0.00 -0.02 0.01 0.01 -0.01 -0.01 0.19 0.05 -0.03 0.34 -0.08 0.18 -0.34 0.13 -0.26 0.31 0.27 0.11 0.37 -0.10 -0.18 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.08 -0.03 -0.13 -0.10 0.11 -0.02 0.00 -0.05 0.07 -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 0.05 -0.07 -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 -0.01 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 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.12 0.63 -0.25 -0.45 0.28 0.44 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.08 0.07 0.10 0.08 -0.05 0.01 -0.01 0.14 -0.04 -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 0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.10 -0.26 0.32 -0.11 -0.15 0.16 -0.01 0.11 -0.15 -0.00 -0.00 -0.00 0.19 0.20 -0.21 -0.01 0.19 -0.25 0.07 -0.12 0.17 0.01 0.02 -0.02 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -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 0.12 0.09 -0.09 0.00 0.01 0.00 -0.00 0.00 0.00 -0.44 -0.07 0.01 -0.42 -0.01 -0.08 -0.09 0.06 -0.09 0.04 0.01 0.05 0.05 -0.05 0.02 -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 0.01 -0.01 -0.01 -0.03 0.03 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.01 -0.05 -0.25 0.00 -0.06 0.32 -0.06 0.14 0.00 0.00 0.00 0.26 0.07 -0.03 0.12 -0.03 0.07 -0.26 0.02 -0.09 0.02 -0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.45 0.15 -0.29 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.26 -0.17 0.17 0.23 -0.10 0.18 -0.12 0.05 -0.09 0.11 0.05 0.08 0.13 -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 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.02 -0.02 -0.03 0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.05 0.14 0.49 0.25 -0.16 -0.04 0.00 0.30 -0.22 0.07 -0.14 -0.48 0.22 0.19 0.09 0.00 -0.32 0.24 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 0.02 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 0.01 0.01 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 -0.00 -0.00 0.00 -0.25 -0.20 0.20 0.44 -0.41 -0.25 0.30 0.43 0.40 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.02 -0.02 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 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.04 -0.11 -0.00 -0.00 0.00 -0.05 0.15 0.51 0.26 -0.15 -0.04 0.00 0.29 -0.21 -0.08 0.15 0.48 -0.21 -0.18 -0.08 -0.00 0.30 -0.22 0.00 0.00 -0.00 -0.01 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.00 -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 0.00 -0.00 0.00 0.00 -0.00 0.21 -0.03 -0.24 -0.00 -0.24 0.18 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.40 0.28 0.17 0.46 0.32 0.29 -0.06 -0.35 -0.05 0.10 0.01 -0.02 -0.04 -0.09 0.08 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 0.01 0.00 0.00 -0.00 -0.03 0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.01 0.04 0.00 0.04 -0.03 -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 0.07 -0.05 -0.03 -0.08 -0.05 -0.05 0.01 0.06 -0.27 0.55 0.08 -0.13 -0.26 -0.54 0.45 0.04 0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 -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 -0.02 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 -0.01 -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 -0.42 0.06 0.47 0.00 0.49 -0.38 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.24 0.17 0.07 0.16 0.11 0.18 -0.03 -0.22 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.07 -0.01 -0.01 0.02 0.01 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.11 0.27 0.85 0.00 -0.00 -0.01 0.01 -0.03 -0.11 0.13 -0.08 -0.01 -0.00 0.18 -0.12 0.02 -0.04 -0.13 -0.10 -0.09 -0.03 0.00 0.19 -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 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.07 0.06 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.50 -0.43 -0.26 -0.34 -0.45 -0.42 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.04 0.07 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.02 -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 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.43 -0.08 -0.47 -0.01 0.53 -0.39 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.22 0.15 -0.01 -0.02 -0.02 -0.17 0.04 0.20 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 0.06 -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 -0.01 0.01 0.02 0.00 0.00 -0.00 0.04 -0.13 -0.42 0.13 -0.08 -0.00 0.00 0.41 -0.28 -0.07 0.15 0.45 0.08 0.07 0.01 0.00 -0.43 0.30 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.03 0.01 0.02 -0.06 0.00 0.02 -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 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 0.12 0.37 0.00 -0.01 -0.00 -0.03 0.13 0.42 -0.11 0.07 0.00 -0.01 -0.41 0.27 -0.07 0.13 0.38 0.04 0.03 0.00 0.01 -0.38 0.27 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.09 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 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 -0.02 0.00 0.02 -0.00 0.10 -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 0.40 -0.30 0.24 0.59 0.43 -0.23 0.03 0.27 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.05 0.06 0.00 -0.03 -0.04 -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 -0.02 -0.00 0.00 -0.00 0.00 -0.03 -0.16 0.65 -0.37 -0.09 -0.01 -0.31 0.22 -0.02 0.03 0.11 0.34 0.28 0.12 -0.00 0.14 -0.11 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.03 -0.00 -0.04 -0.06 -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 -0.01 0.03 0.10 0.00 -0.00 0.00 -0.00 0.02 0.10 -0.37 0.21 0.05 0.01 0.18 -0.13 -0.04 0.05 0.19 0.57 0.47 0.21 -0.01 0.26 -0.20 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.07 -0.04 0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -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 0.60 0.49 -0.50 0.17 -0.18 -0.09 0.11 0.16 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 -0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 0.03 -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 -0.18 0.03 0.19 0.01 -0.20 0.16 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.48 0.33 0.03 0.07 0.03 -0.46 0.10 0.53 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.07 -0.06 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.31 0.63 0.07 0.15 0.27 0.63 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.09 0.01 -0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 -0.02 -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 0.12 -0.29 -0.04 0.05 0.14 0.29 0.88 0.09 0.09 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.04 0.04 -0.06 -0.00 0.00 -0.00 -0.01 -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 0.07 0.08 -0.08 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.45 -0.44 0.66 0.18 0.23 -0.25 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.05 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.50 -0.58 0.62 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.07 -0.06 0.10 0.01 0.01 -0.01 -0.02 -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 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 -0.02 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 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.19 -0.18 0.28 -0.45 -0.54 0.60 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 0.01 0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -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 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.08 0.11 0.99 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 16 15 8 8 8 7 6 6 6 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 1 298.150 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 39 40 41 16 15 8 8 8 7 6 6 6 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 31.97207 30.97376 15.99491 15.99491 15.99491 14.00307 12.00000 12.00000 12.00000 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 303.10580 0.99998 -0.0016 0.00592 0.00157 0.99998 0.00601 -0.00593 -0.006 0.99996 asymmetric 1 0.02652 0.00744 0.00680 0.55260 0.15507 0.14173 888467.6 15.27 30.15 43.61 47.84 62.03 70.43 89.10 119.93 144.26 178.12 211.41 243.70 264.70 304.11 333.31 349.72 353.12 362.67 383.69 384.68 389.87 426.51 447.60 477.27 509.82 537.47 587.48 606.13 622.33 647.85 662.43 691.62 737.27 785.60 811.20 825.66 917.77 1015.47 1029.08 1037.80 1107.85 1172.84 1190.37 1193.63 1219.91 1301.11 1320.87 1353.91 1356.16 1374.63 1385.97 1397.36 1404.84 1430.62 1476.50 1510.05 1518.91 1523.90 1540.70 1615.69 1656.40 1660.62 1674.32 1692.73 1707.29 1720.79 1792.92 1811.94 1879.58 1885.91 1893.84 1937.47 1943.94 1958.32 2011.53 2020.45 2042.12 2047.13 2051.80 2060.21 2094.37 2112.95 2133.95 2135.29 2137.09 2140.31 2142.13 2148.25 2161.33 2164.08 2174.04 2178.16 2192.51 2316.48 2353.09 4339.09 4340.07 4345.08 4363.06 4363.23 4365.62 4389.74 4406.76 4425.00 4427.44 4445.27 4462.30 4470.27 4473.16 4474.85 4478.78 4479.93 4500.39 4582.82 4589.28 4615.40 5191.40 0.338399 0.361255 0.362200 0.282683 -1528.670473 -1528.647617 -1528.646673 -1528.726189 226.691 82.756 167.357 0.000 0.000 0.000 0.889 2.981 43.023 0.889 2.981 34.536 224.914 76.795 89.798 1 0.593 1.987 7.893 2 0.593 1.986 6.541 3 0.594 1.984 5.809 4 0.594 1.983 5.625 5 0.595 1.980 5.111 6 0.595 1.978 4.859 7 0.597 1.972 4.395 8 0.600 1.961 3.810 9 0.604 1.949 3.449 10 0.610 1.929 3.040 11 0.617 1.906 2.711 12 0.625 1.880 2.442 13 0.631 1.862 2.288 14 0.643 1.824 2.032 15 0.653 1.793 1.866 16 0.659 1.774 1.780 17 0.660 1.770 1.763 18 0.664 1.759 1.716 19 0.672 1.734 1.618 20 0.672 1.733 1.613 21 0.675 1.727 1.590 22 0.690 1.680 1.437 23 0.700 1.653 1.356 24 0.714 1.612 1.252 25 0.730 1.566 1.147 26 0.745 1.526 1.065 27 0.773 1.452 0.933 28 0.784 1.424 0.888 29 0.793 1.399 0.850 30 0.809 1.360 0.795 31 0.818 1.338 0.765 32 0.837 1.293 0.708 33 0.868 1.222 0.628 34 0.901 1.148 0.552 35 0.920 1.110 0.516 36 0.930 1.088 0.497 0.424451e+26 25.627828 59.010254 0.259839e+11 10.414704 23.980743 0.100000e+01 0.000000 0.000000 0.207417e+09 8.316845 19.150244 0.787550e+07 6.896278 15.879268 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.1606 3.2204 -2.5433 4.1067 -121.5848 -128.1582 -128.5618 2.3241 1.0525 2.7952 4.5168 -2.0566 -2.4602 2.3241 1.0525 2.7952 -22.6867 2.5041 -1.1603 -17.1750 13.0264 -49.9857 -3.3444 12.9923 -8.2243 -36.8258 -7644.6459 -1900.3482 -988.6726 294.8599 -113.1690 23.9523 3.9053 -6.2707 21.3757 -1610.0548 -1456.2999 -483.8725 -2.3958 36.9225 -11.4081 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1529.0088721 2.107E-9 2.992E-6 0.3383994 0.3612554 -1528.6476167 -1528.6466725 -1528.7261893 2.6725714,0.9352351,-3.6078064,2.0591835,0.9865802,0.8165598 C01 [X(C13H22N1O3P1S1)] -0.0015418 -0.018025 -1.6156035 -0.5210501 -0.06395 -0.1274958 -0.1290402 -0.1313858 -0.0893779 -0.0100291 -0.0495192 0.0807599 3.2293524 0.6210475 0.1254098 -0.3686989 2.4164219 0.4518983 0.3329589 0.1567897 2.0604453 -2.644601 -0.2195295 -0.2621616 0.0158479 -0.6130955 -0.0107545 -0.596005 0.0118121 -0.5238014 -1.2860687 -0.6891885 0.0004358 -0.8478052 -1.5864517 -0.1904091 0.1052906 -0.0109581 -0.5534437 -0.9342173 -0.1060244 -0.0426982 0.0568404 -0.7373769 -0.0328627 -0.0805813 -0.0298139 -1.1363482 -0.8160234 -0.049055 0.0513975 0.1708505 -0.8729761 -0.3850193 0.1473503 -0.5273967 -0.9768826 0.4307301 0.0417824 -0.0562343 0.0028098 0.1567841 0.1010343 -0.184625 0.3740802 0.6362028 -0.0291715 -0.0824556 -0.0275049 -0.0491414 0.0636985 -0.0740107 0.0095663 -0.0850907 0.0515056 -0.1008505 0.0001668 0.0666818 -0.0146937 0.1002762 -0.0513137 0.0295633 -0.0859774 0.0457387 1.6517904 0.2000224 0.1377494 0.5097169 0.0970124 0.0437824 0.1183917 0.0374389 0.114923 -0.1491728 0.0129681 -0.1563204 0.0343206 -0.0156847 -0.1285681 -0.2533922 -0.1295736 0.237036 -0.2173692 -0.0034548 0.0315907 -0.0593005 -0.1071044 -0.012258 0.0928601 0.0261566 -0.0861519 0.4590407 0.1928373 0.0206268 0.529909 1.0192879 0.1014465 0.1634179 0.1874086 0.3054946 -0.2501104 0.0036598 0.0492827 0.0607476 -0.1059342 -0.0117753 -0.1132929 -0.0587683 -0.0188337 0.8549749 0.2221837 0.160799 0.2504375 -0.0011051 0.1085758 0.1943263 0.1044795 -0.2760066 -0.190049 0.0020033 -0.0923542 -0.0257361 -0.1300898 -0.0694738 0.0872546 -0.0198146 0.0326155 0.0014712 -0.0411882 0.0641277 -0.044919 0.0785544 0.0429449 0.0506389 0.04016 0.0148986 -0.0335533 -0.0800335 0.0371662 -0.0819771 0.0275792 0.0008607 0.0306468 0.0180826 0.0866225 0.0023828 -0.0411605 0.085154 -0.0491986 0.0709867 0.0007491 0.0862522 -0.006252 0.1903125 0.0217077 0.0333029 -0.0183902 0.0403388 -0.0799831 0.0304499 -0.024826 0.0035832 0.0125261 0.2475905 0.0204774 -0.0023927 0.0434807 0.1422801 0.0023967 0.0368253 -0.0683556 0.1279938 0.0213255 0.069194 -0.0297449 0.0249496 -0.1065772 0.0324809 -0.0339872 0.0993824 0.0228447 -0.1137528 0.0084811 0.0307186 0.0007688 0.045564 0.0056416 0.0445289 -0.0031169 0.0389004 0.0626694 -0.0191331 0.0087633 -0.0123207 0.0351874 -0.0098895 0.002942 -0.0600935 -0.1601254 0.0236596 0.0123761 0.0162743 0.0848059 -0.1085767 0.0513468 -0.0265379 0.0972867 0.0238706 -0.0304098 -0.0660025 -0.0254735 -0.0928759 -0.0121062 -0.0232387 -0.053478 -0.029849 0.056017 0.0377462 0.0282157 0.0036914 0.0184139 0.0608147 -0.0115261 0.0640592 -0.0392071 -0.1720782 0.1354167 -0.0151236 -0.0343071 -0.0207387 0.1154956 0.0202739 -0.0395061 0.0099911 0.0342915 -0.0613314 0.0836624 -0.0303587 0.0035566 -0.0664386 0.0008387 -0.0693213 0.0298513 0.0228082 0.0375871 -0.0062965 0.0275778 -0.0515459 -0.0193373 0.0181501 -0.0051626 -0.0630998 -0.1004041 0.0294353 -0.0569719 0.0555877 -0.0683959 0.1205671 0.0410043 0.0735005 0.0434998 -0.0041397 0.052793 0.0001524 -0.0607325 -0.013076 0.1089307 0.0172707 -0.0705262 0.0191933 -0.0414617 -0.0075941 0.001822 -0.1455787 -0.0219704 0.0796247 -0.0131985 -0.040441 0.017573 -0.047017 -0.0421976 0.0601919 0.0853861 0.0827693 0.0093724 -0.0031514 0.0484879 0.0278656 0.025839 0.057419 -0.0530377 0.0418525 -0.0715623 -0.0779909 0.0152458 0.0255009 -0.0420796 0.0173891 0.0310272 -0.0162156 -0.0180683 0.0150697 0.0838733 -0.0250066 0.0397354 0.0056526 -0.1255096 0.0317824 -0.0315848 0.0082953 -0.0706096 -0.1311897 -0.052004 0.0022845 -0.062362 0.0631312 -0.0596937 0.0368885 -0.0270007 0.109305 0.0198786 0.0517873 -0.0429666 0.0590818 0.0332489 0.039238 0.0600238 0.0733667 0.0740458 0.0309382 -0.0165914 -0.0267997 -0.0385181 -0.1076674 0.097951 -0.0260102 0.014742 0.0130044 -0.0693287 0.0731514 -0.0774562 0.0382565 -0.0600288 -0.0698747 -0.0450438 -0.0398607 -0.0483829 0.0896046 -0.0009009 -0.037448 0.0022206 0.0544845 272.8562392|27.0499887|173.4555072|6.5659319|2.0507709|206.2553918 0.000003376 0.000001665 -0.000004449 -0.000004525 -0.000007739 0.000006939 -0.000005768 0.000006510 0.000004537 0.000006687 -0.000009051 -0.000011903 0.000000549 0.000003386 -0.000003525 0.000000266 0.000002935 0.000000079 -0.000001611 -0.000002125 0.000003734 0.000000471 0.000000964 -0.000000470 -0.000002920 0.000000272 0.000001435 0.000006284 -0.000002061 -0.000001988 -0.000000832 -0.000000471 0.000001477 0.000003006 0.000000902 -0.000002186 0.000000888 0.000012726 0.000007318 -0.000003263 -0.000001393 -0.000000840 -0.000009036 -0.000002335 0.000001282 0.000003106 0.000001114 -0.000002223 0.000000898 0.000001533 -0.000001661 -0.000003978 -0.000002904 0.000000458 0.000001603 -0.000001531 0.000006672 0.000001586 0.000000434 -0.000000521 0.000001510 -0.000000133 -0.000000234 0.000000117 -0.000000574 0.000000409 -0.000000078 -0.000000707 0.000000054 -0.000000362 -0.000000516 -0.000000205 0.000000941 -0.000000451 0.000000390 0.000001349 0.000000012 -0.000000202 0.000000901 -0.000000405 0.000000027 -0.000000802 0.000000188 0.000000595 -0.000000062 -0.000000578 -0.000000592 -0.000000367 -0.000000870 -0.000000664 -0.000000014 -0.000000123 -0.000000425 0.000000083 -0.000000273 -0.000000504 -0.000000598 0.000000695 0.000000972 -0.000000605 -0.000000608 0.000000318 0.000000375 -0.000000686 0.000000579 0.000000529 0.000000743 -0.000000379 0.000000433 0.000001327 -0.000000270 0.000000656 0.000000979 0.000000047 0.000000116 -0.000000428 -0.000001324 -0.000000533 -0.000000109 -0.000001479 -0.000000379 -0.000000313 -0.000001277 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.7344,-.8112,.0074;2.1474,.1369,.9558;.9503,.9956,.2357;3.3926,1.009,.4335;2.0161,-.0319,2.4203;2.2194,-1.2716,.1161;2.3085,-1.3948,-1.3486;1.2973,-2.4331,-1.8392;3.7407,-1.7069,-1.791;-.3714,.5573,.2025;-2.3526,-.3351,1.2724;-1.024,.0848,1.3379;3.5541,2.3889,.86;-1.0355,.6349,-1.0119;-3.0329,-.2608,.0362;-2.3657,.2294,-1.0905;-3.036,-.8531,2.5125;4.9016,2.8668,.3612;-5.2301,-.5553,-1.7258;2.0241,-.4182,-1.7499;2.4188,-2.0962,.6647;1.528,-3.4201,-1.4241;.2867,-2.1572,-1.5317;1.3254,-2.5145,-2.9293;4.0634,-2.6734,-1.3896;4.4248,-.937,-1.429;3.809,-1.7559,-2.8816;-.483,.0367,2.2752;2.7347,2.9776,.4375;3.4913,2.4291,1.9511;-.5139,1.0101,-1.8838;-2.8673,.2993,-2.0457;-2.3568,-.841,3.3658;-3.9128,-.2473,2.7647;-3.3878,-1.8804,2.3711;4.9536,2.8022,-.728;5.0592,3.9082,.6552;5.7048,2.2602,.785;-4.6323,-1.1619,-2.4079;-5.176,.4977,-2.0069;-6.2689,-.8826,-1.7797; Gaussian 16 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C13H22NO3PS)] 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.7344,-.8112,.0074;2.1474,.1369,.9558;.9503,.9956,.2357;3.3926,1.009,.4335;2.0161,-.0319,2.4203;2.2194,-1.2716,.1161;2.3085,-1.3948,-1.3486;1.2973,-2.4331,-1.8392;3.7407,-1.7069,-1.791;-.3714,.5573,.2025;-2.3526,-.3351,1.2724;-1.024,.0848,1.3379;3.5541,2.3889,.86;-1.0355,.6349,-1.0119;-3.0329,-.2608,.0362;-2.3657,.2294,-1.0905;-3.036,-.8531,2.5125;4.9016,2.8668,.3612;-5.2301,-.5553,-1.7258;2.0241,-.4182,-1.7499;2.4188,-2.0962,.6647;1.528,-3.4201,-1.4241;.2867,-2.1572,-1.5317;1.3254,-2.5145,-2.9293;4.0634,-2.6734,-1.3896;4.4248,-.937,-1.429;3.809,-1.7559,-2.8816;-.483,.0367,2.2752;2.7347,2.9776,.4375;3.4913,2.4291,1.9511;-.5139,1.0101,-1.8838;-2.8673,.2993,-2.0457;-2.3568,-.841,3.3658;-3.9128,-.2473,2.7647;-3.3878,-1.8804,2.3711;4.9536,2.8022,-.728;5.0592,3.9082,.6552;5.7048,2.2602,.785;-4.6323,-1.1619,-2.4079;-5.176,.4977,-2.0069;-6.2689,-.8826,-1.7797; 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 Fenamiphos CONF72 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 39 40 41 32 31 16 16 16 14 12 12 12 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 31.9720718 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 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 0 1 0 0 0 2 0 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 13.6000000 12.9400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 585 A 566 A 566 888 585 81 81 1818.7001199352 41 41 41 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 -0.0422141998 0.000000 7.011245 0.000000 5.969272 1.639876 0.000000 8.339204 1.607469 2.450334 0.000000 7.210909 1.479949 2.638910 2.631688 0.000000 6.969831 1.641399 2.601044 2.584271 2.624364 0.000000 7.195918 2.771708 3.173168 3.182656 4.018353 1.472574 0.000000 6.513129 3.890993 4.022678 4.626402 4.942198 2.454105 1.530156 0.000000 8.709938 3.671916 4.381489 3.527798 4.849177 2.478081 1.531104 2.549537 0.000000 4.576727 2.662493 1.392874 3.798037 3.311430 3.172514 3.660417 3.986942 5.100002 0.000000 2.738567 4.535794 3.708740 5.959694 4.527099 4.808069 5.451500 5.235038 6.956646 2.422053 0.000000 4.042277 3.194763 2.437654 4.601992 3.229066 3.721831 4.528988 4.671375 5.975115 1.392214 1.394936 0.000000 8.925556 2.656990 3.018354 1.453335 3.265049 3.966663 4.554756 5.969141 4.882421 4.381340 6.517590 5.147409 0.000000 4.100163 3.775090 2.372806 4.673058 4.640724 3.937242 3.926294 3.941962 5.376190 1.386286 2.809534 2.413313 5.257828 0.000000 1.788532 5.276307 4.181399 6.561780 5.588161 5.349244 5.633286 5.194807 7.163168 2.789344 1.412961 2.418558 7.147531 2.426948 0.000000 2.810523 4.956265 3.652648 6.007351 5.620820 4.973147 4.955075 4.589842 6.444202 2.399308 2.429503 2.778203 6.596301 1.392789 1.398246 0.000000 3.026853 5.501924 4.948937 7.008329 5.119174 5.791125 6.615540 6.341229 8.072973 3.798086 1.507694 2.511481 7.527957 4.317065 2.546130 3.821409 0.000000 10.320152 3.923235 4.373799 2.394539 4.579174 4.937732 5.273439 6.776611 5.186359 5.758800 7.981633 6.618640 1.514296 6.489762 8.534874 7.866222 9.026154 0.000000 1.820808 7.880278 6.667126 9.025569 8.364858 7.707225 7.594611 6.793076 9.044673 5.344483 4.161498 5.242869 9.618533 4.418219 2.831861 3.037154 4.781884 10.895821 0.000000 6.994180 2.764809 2.663545 2.945639 4.187976 2.061157 1.093468 2.143823 2.146900 3.240620 5.319435 4.367796 4.127001 3.318861 5.365382 4.485969 6.630316 4.850623 7.255512 0.000000 7.297278 2.268274 3.449628 3.262561 2.739627 1.010250 2.134801 2.764178 2.815938 3.878137 5.122206 4.130657 4.630738 4.711898 5.786519 5.601810 5.891883 5.557739 8.160538 2.966733 0.000000 6.933464 4.324306 4.752618 5.152087 5.147499 2.732407 2.171776 1.095331 2.822351 4.698252 5.643405 5.140556 6.562501 4.815060 5.737187 5.347079 6.551099 7.354835 7.346501 3.059975 2.628480 0.000000 5.421346 3.861691 3.674796 4.851093 4.808848 2.689751 2.168525 1.091794 3.492895 3.287680 4.260141 3.870189 6.087901 3.132725 4.132031 3.595177 5.394094 7.079626 5.747939 2.467793 3.061603 1.774144 0.000000 6.945956 4.774938 4.741247 5.291204 5.937858 3.408610 2.172312 1.093501 2.789568 4.703592 5.994378 5.521319 6.585544 4.378310 5.733077 4.953230 7.169093 7.250919 6.947098 2.504745 3.779831 1.768281 1.777667 0.000000 9.100528 4.131549 5.078867 4.163383 5.067963 2.762699 2.171648 2.812699 1.095176 5.713129 7.329352 6.397505 5.563040 6.089875 7.629568 7.060359 8.303110 5.870443 9.537754 3.061777 2.694094 2.643236 3.814472 3.145202 0.000000 9.271920 3.467964 4.310253 2.884620 4.630079 2.713466 2.166695 3.491106 1.091634 5.281856 7.320709 6.195828 4.130300 5.697360 7.630222 6.898210 8.438325 4.230997 9.666992 2.477003 3.122688 3.815322 4.315444 3.787551 1.774021 0.000000 9.067933 4.590139 5.045867 4.336795 5.856326 3.427494 2.175313 2.802494 1.093857 5.686685 7.565720 6.674556 5.589634 5.716752 7.586822 6.728731 8.761596 5.751459 9.191448 2.501240 3.824241 3.177533 3.793419 2.597290 1.769910 1.777621 0.000000 4.892477 2.944436 2.670786 4.399689 2.504160 3.698138 4.793061 5.118362 6.116651 2.139974 2.153921 1.083299 4.881916 3.386420 3.406396 3.861342 2.714050 6.377019 6.236515 4.763733 3.945033 5.447796 4.460685 6.071744 6.437788 6.225336 6.944568 0.000000 8.386117 2.946765 2.674509 2.075639 3.674933 4.292426 4.742335 6.043618 5.284175 3.944712 6.127940 4.827708 1.093782 4.669436 6.626704 5.991766 7.230534 2.171119 8.977713 4.101354 5.088738 6.771415 6.019645 6.594315 6.085863 4.654499 5.880183 4.730658 0.000000 9.052034 2.837433 3.384404 2.080826 2.907429 4.322114 5.187454 6.543834 5.583213 4.634837 6.500201 5.124415 1.093732 5.700083 7.312138 6.956633 7.327571 2.169905 9.924197 4.894647 4.825361 7.032769 6.590408 7.276648 6.125674 4.860813 6.400852 4.650067 1.778894 0.000000 4.970513 3.988545 2.576094 4.542046 5.100084 4.083697 3.746439 3.890723 5.048948 2.139569 3.892540 3.390481 5.096790 1.083097 3.412741 2.160503 5.399960 6.149413 4.971734 2.915320 4.974337 4.899715 3.285760 4.110850 5.896062 5.328068 5.228140 4.271436 4.451131 5.723774 0.000000 2.989026 5.846698 4.501599 6.770310 6.625878 5.745977 5.490474 4.985213 6.910544 3.369110 3.417243 3.859134 7.351463 2.130025 2.162327 1.081167 4.704676 8.528940 2.532843 4.952581 6.405271 5.791322 4.030636 5.126139 7.569813 7.421833 7.035308 4.942123 6.687503 7.806636 2.463789 0.000000 4.114900 5.201195 4.909942 6.713939 4.546499 5.629182 6.655634 6.555856 8.032566 3.987934 2.153634 2.597294 7.186793 4.804982 3.446686 4.583102 1.090641 8.686793 5.853378 6.748390 5.628306 6.684825 5.718875 7.482512 8.197008 8.305958 8.825215 2.339058 7.005726 6.848011 5.863501 5.553867 0.000000 2.931822 6.336057 5.620497 7.770551 5.942721 6.757778 7.545856 7.288192 9.025521 4.444495 2.160689 3.239010 8.144398 4.828972 2.866855 4.181330 1.095087 9.652368 4.689862 7.460303 6.922181 7.564025 6.304070 8.062271 9.314672 9.358249 9.684102 3.476189 7.746279 7.914882 5.894187 4.952954 1.770516 0.000000 2.922940 6.058952 5.625863 7.620807 5.711447 6.074195 6.820513 6.323097 8.256403 4.443417 2.160265 3.243005 8.288535 4.827438 2.863682 4.180798 1.095100 9.761661 4.683488 6.957596 6.055915 6.398361 5.367460 7.121123 8.384002 8.738771 8.910650 3.481763 8.051329 8.128347 5.892197 4.952804 1.769952 1.759983 0.000000 10.365976 4.220623 4.496507 2.645961 5.154876 4.978377 4.999619 6.481629 4.788788 5.853245 8.199049 6.883546 2.156635 6.375518 8.587736 7.766723 9.364557 1.092391 10.769197 4.471820 5.688520 7.136910 6.857168 6.802696 5.586788 3.840916 5.169537 6.798727 2.512482 3.074950 5.868596 8.316708 9.136396 10.005517 10.055305 0.000000 10.890620 4.774048 5.053885 3.351410 5.282094 5.931750 6.301054 7.783713 6.265089 6.397203 8.562749 7.217278 2.148360 7.116118 9.123858 8.468139 9.573436 1.093510 11.465648 5.806389 6.559348 8.396206 8.021697 8.248712 6.963519 5.312491 6.793684 6.951803 2.513274 2.515024 6.775269 9.118604 9.214055 10.110084 10.382825 1.774191 0.000000 10.909331 4.146352 4.950325 2.652374 4.640522 5.006883 5.426383 6.952651 5.121590 6.337094 8.479050 7.093234 2.155878 7.162547 9.124820 8.530756 9.438088 1.092057 11.567311 5.210267 5.458074 7.388539 7.364469 7.468105 5.635897 4.094154 5.759064 6.741832 3.075197 2.507579 6.881612 9.237924 9.014821 10.134288 10.116052 1.774048 1.774736 0.000000 2.442768 7.678977 6.542889 8.785534 8.293901 7.302650 7.025053 6.090907 8.413373 5.284454 4.407452 5.348400 9.502840 4.256075 3.056796 2.967972 5.182112 10.714240 1.091175 6.730031 7.747985 6.634546 5.094576 6.131548 8.884621 9.112602 8.475408 6.370665 8.916539 9.893930 4.685481 2.319769 6.214222 5.301876 4.990397 10.508340 11.358406 11.347269 0.000000 2.442498 7.908305 6.542881 8.924032 8.462052 7.894937 7.748102 7.107808 9.187737 5.288624 4.406734 5.347692 9.381363 4.260576 3.056620 2.968116 5.179732 10.619801 1.091156 7.262645 8.458511 7.786722 6.092208 7.224458 9.787916 9.724581 9.304504 6.369759 8.643182 9.722096 4.691827 2.317515 6.213377 4.991902 5.293424 10.466850 11.112044 11.370698 1.791828 0.000000 2.356652 8.908306 7.727035 10.090671 9.327614 8.706166 8.603529 7.723657 10.043519 6.386195 4.995296 6.177776 10.684647 5.502787 3.762497 4.116657 5.373651 11.975946 1.090491 8.306031 9.106256 8.207201 6.682963 7.852313 10.493609 10.699585 10.175513 7.124955 10.044021 10.961239 6.059173 3.610865 6.463954 5.158163 5.150349 11.858673 12.538188 12.642159 1.775154 1.775163 0.000000 C13H22NO3PS 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9073,-.1034,-.0064;-2.067,-.5298,.5724;-.9998,-.6539,-.6665;-3.4174,-.4985,-.299;-1.9633,-1.5816,1.6084;-1.8788,.9991,1.1391;-1.8934,2.2253,.3238;-.7099,3.1142,.7116;-3.2389,2.9474,.4354;.3758,-.5302,-.4865;2.4354,-1.0704,.6679;1.0547,-1.207,.5231;-3.8161,-1.6582,-1.0789;1.0623,.2799,-1.3777;3.1391,-.2434,-.2361;2.4426,.4177,-1.2525;3.1483,-1.8047,1.7751;-5.2044,-1.3893,-1.6207;5.4176,1.0222,-1.3435;-1.7569,1.8994,-.711;-1.9615,1.1059,2.1403;-.7923,3.4287,1.7576;.2307,2.5739,.5869;-.6848,4.0155,.093;-3.4148,3.272,1.4665;-4.0516,2.2811,.1399;-3.2586,3.8344,-.2044;.495,-1.8358,1.2048;-3.0884,-1.7984,-1.8834;-3.8005,-2.5395,-.4313;.5187,.7947,-2.1604;2.9606,1.0522,-1.9582;2.4456,-2.3872,2.372;3.9053,-2.4874,1.3751;3.6671,-1.1083,2.4423;-5.2055,-.496,-2.2494;-5.5395,-2.2382,-2.2231;-5.9133,-1.2411,-.8033;4.9514,2.0035,-1.2417;5.2035,.5999,-2.3266;6.497,1.1305,-1.2327; 0.5525995 0.1550678 0.1417253 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= 566 RedAO= T EigKep= 1.40D-06 NBF= 566 NBsUse= 565 1.00D-06 EigRej= 5.16D-07 NBFU= 565 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= 577 577 577 577 577 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1529.00887214273 -1529.00887214 1 1.524512276818e+03 -7.236686123243e+03 2.364507068547e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414881798 LenY= 1414538988 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. PT453.200S 2024-09-20T22:16:27.000 -88.85564 -77.18141 -19.15903 -19.14966 -19.07829 -14.32402 -10.23896 -10.23384 -10.22274 -10.20957 -10.20613 -10.19265 -10.18450 -10.17928 -10.17406 -10.17072 -10.16778 -10.16728 -10.16593 -7.94158 -6.66257 -5.90566 -5.90152 -5.89544 -4.82524 -4.82450 -4.82282 -1.09054 -1.04276 -0.97240 -0.91734 -0.87377 -0.80612 -0.78388 -0.77969 -0.76749 -0.74269 -0.69784 -0.69667 -0.67237 -0.64553 -0.61436 -0.61118 -0.60788 -0.57069 -0.54088 -0.52971 -0.50024 -0.48836 -0.48352 -0.47921 -0.45457 -0.45265 -0.44491 -0.44261 -0.43504 -0.42620 -0.42269 -0.42069 -0.41930 -0.41241 -0.39947 -0.39789 -0.39553 -0.39047 -0.38911 -0.37665 -0.36615 -0.36288 -0.35703 -0.35335 -0.34964 -0.34328 -0.32360 -0.32245 -0.29982 -0.29277 -0.28167 -0.26695 -0.25716 -0.21162 -0.01964 -0.01246 -0.00854 -0.00074 0.00754 0.01204 0.01421 0.02130 0.02929 0.03253 0.03637 0.03983 0.04242 0.04435 0.04689 0.04874 0.05763 0.05991 0.06118 0.06425 0.06800 0.06973 0.07528 0.07814 0.08037 0.08337 0.08487 0.08688 0.09315 0.09543 0.09930 0.10443 0.10697 0.10831 0.11131 0.11246 0.11454 0.11695 0.12119 0.12336 0.12930 0.13139 0.13574 0.13950 0.14405 0.14526 0.14989 0.15407 0.15570 0.15976 0.16312 0.16671 0.16737 0.17258 0.17548 0.17823 0.18069 0.18504 0.18888 0.19177 0.19392 0.19556 0.19715 0.20112 0.20319 0.20722 0.21039 0.21317 0.21852 0.22027 0.22475 0.22527 0.22877 0.23313 0.23557 0.23835 0.24035 0.24516 0.24776 0.25034 0.25423 0.25733 0.26053 0.26387 0.26564 0.26949 0.27473 0.27810 0.28428 0.29114 0.29146 0.29472 0.29978 0.30171 0.30276 0.30719 0.31291 0.31555 0.32060 0.32668 0.33064 0.33428 0.34819 0.34942 0.35750 0.35945 0.36167 0.36770 0.37279 0.37952 0.38388 0.39033 0.39535 0.39593 0.40142 0.40705 0.41315 0.41910 0.42450 0.43174 0.43639 0.44361 0.45407 0.45980 0.46701 0.47937 0.48756 0.49070 0.49859 0.50713 0.51073 0.51419 0.52510 0.53400 0.53891 0.54620 0.55094 0.55456 0.55463 0.55905 0.56355 0.57478 0.58341 0.58761 0.59565 0.59877 0.60496 0.60782 0.62126 0.62517 0.63252 0.63756 0.63975 0.64727 0.65433 0.65842 0.66333 0.67086 0.68021 0.68248 0.68870 0.69125 0.69920 0.70006 0.70664 0.71120 0.71139 0.71780 0.72165 0.72623 0.73558 0.73891 0.74474 0.74970 0.75078 0.76432 0.77112 0.77452 0.78075 0.78704 0.79273 0.79600 0.80695 0.81776 0.83547 0.84861 0.85156 0.86225 0.87581 0.88584 0.88680 0.90708 0.91351 0.92330 0.92845 0.94016 0.94193 0.94819 0.96561 0.97789 0.98688 0.99748 1.00892 1.01412 1.02180 1.02821 1.03954 1.04377 1.04810 1.05956 1.07062 1.08017 1.08369 1.09404 1.10502 1.10620 1.11135 1.12480 1.13330 1.14225 1.15331 1.17142 1.18548 1.19467 1.19795 1.20913 1.22735 1.24940 1.26304 1.27097 1.28840 1.30347 1.30780 1.31828 1.34557 1.35849 1.36689 1.37369 1.39419 1.41250 1.43104 1.43760 1.44954 1.45328 1.46076 1.46354 1.47212 1.47620 1.49588 1.49857 1.51407 1.51974 1.53132 1.53288 1.54441 1.54779 1.55779 1.56423 1.56687 1.57766 1.58207 1.59117 1.59327 1.59543 1.59824 1.60644 1.61849 1.62480 1.63136 1.63783 1.64419 1.64500 1.64939 1.65455 1.66869 1.68237 1.68500 1.69595 1.71136 1.71400 1.73741 1.74533 1.75369 1.76287 1.77338 1.77516 1.78508 1.79555 1.80043 1.80363 1.80748 1.81299 1.82571 1.84129 1.84548 1.85109 1.88208 1.89197 1.90703 1.91400 1.91601 1.92838 1.94595 1.96203 1.96613 1.97272 1.98568 1.99856 2.01351 2.02628 2.03251 2.03875 2.04420 2.05064 2.05538 2.07516 2.09454 2.09659 2.10913 2.11851 2.13247 2.15445 2.15911 2.17146 2.17680 2.18463 2.20428 2.22854 2.23342 2.25476 2.26248 2.29239 2.29921 2.31527 2.33548 2.33791 2.36506 2.37191 2.39345 2.40858 2.42065 2.44485 2.45277 2.45508 2.45698 2.46355 2.47310 2.48346 2.49163 2.50165 2.52165 2.52473 2.52872 2.53450 2.54318 2.55270 2.55630 2.57423 2.58039 2.58276 2.58433 2.59105 2.59825 2.62481 2.63008 2.64191 2.64680 2.65715 2.68360 2.69243 2.69853 2.70455 2.71110 2.72357 2.72974 2.74227 2.75663 2.76683 2.78430 2.79512 2.80804 2.80936 2.83057 2.84701 2.85582 2.85670 2.87602 2.89314 2.89486 2.90132 2.90938 2.93145 2.93722 2.94632 2.94898 2.97826 2.98133 2.99581 3.00830 3.02660 3.04372 3.06577 3.10393 3.11324 3.11787 3.13762 3.14307 3.18115 3.19455 3.21156 3.22957 3.24891 3.26000 3.28273 3.34855 3.36836 3.39609 3.45427 3.47366 3.57386 3.57933 3.62811 3.64114 3.69715 3.72870 3.73497 3.76491 3.78953 3.79583 3.80641 3.81157 3.81288 3.82057 3.83612 3.84626 3.89367 3.97946 4.01978 4.08538 4.09349 4.17670 4.19542 4.23317 4.32084 4.33729 4.41199 4.82231 4.84931 5.05191 5.09031 5.11995 5.13253 5.15571 5.21744 5.31832 5.51394 5.68482 7.35871 7.99634 14.00288 14.07721 14.18685 17.32431 17.52995 17.54395 23.57356 23.80119 23.85454 23.90063 23.92418 23.92869 23.96508 23.96823 23.97462 23.98816 24.04681 24.09965 24.18110 35.56990 49.92277 49.96187 49.98523 163.47598 189.17399 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 39 40 41 S P O O O N C C C 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 -0.650033 0.236716 -0.167059 -0.167602 -0.102079 -0.470511 0.146278 -0.607479 -0.515145 -0.753703 0.167935 0.269628 -0.094398 0.027007 0.180312 0.172833 -0.335618 -0.465061 -0.476439 0.150211 0.308770 0.134303 0.174337 0.141120 0.138965 0.165583 0.138275 0.172871 0.176353 0.187339 0.116716 0.127089 0.147471 0.172367 0.169496 0.143155 0.146078 0.152048 0.179497 0.180952 0.181420 -0.00000 0.1606 3.2204 -2.5433 4.1067 -121.5848 -128.1582 -128.5618 2.3241 1.0525 2.7952 4.5168 -2.0566 -2.4602 2.3241 1.0525 2.7952 -22.6867 2.5041 -1.1603 -17.1750 13.0263 -49.9857 -3.3444 12.9923 -8.2243 -36.8258 -7644.6459 -1900.3482 -988.6726 294.8599 -113.1690 23.9523 3.9053 -6.2707 21.3757 -1610.0548 -1456.2999 -483.8725 -2.3958 36.9225 -11.4081 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON18 ALCAMI 2024-09-20T00:00:00.000 0 Wavefunction Fenamiphos CONF72 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1529.0088721 RMSD=4.282e-09 Dipole=-0.0015418,-0.0180249,-1.6156034 Quadrupole=2.6725708,0.9352354,-3.6078062,2.0591832,0.98658,0.8165598 PG=C01 [X(C13H22N1O3P1S1)] 0 -4.7343523996 -0.8112234151 0.0073954897 0 2.1474462381 0.1368562257 0.9558430189 0 0.950308038 0.9956269027 0.2357270407 0 3.3926140253 1.0089982007 0.4334610386 0 2.0160573963 -0.0319287371 2.4202531485 0 2.2194046976 -1.2716439453 0.1161173048 0 2.3085136572 -1.3948162616 -1.3485880634 0 1.2972644841 -2.4331055966 -1.8392082199 0 3.7407046694 -1.7068718367 -1.7910028212 0 -0.371392003 0.5573319783 0.2025013431 0 -2.3526074126 -0.3350681919 1.2724309394 0 -1.0239635067 0.0847736602 1.3378860838 0 3.5540542492 2.3889341754 0.8599543456 0 -1.0355404679 0.6348880503 -1.0118629213 0 -3.032859537 -0.2608270433 0.0362253871 0 -2.3656766446 0.2294165371 -1.0905485312 0 -3.0359894338 -0.8530547995 2.5125202168 0 4.9016488054 2.866795865 0.3612269917 0 -5.2301172002 -0.5552587223 -1.7258210818 0 2.024060679 -0.4182208922 -1.7498613682 0 2.4187590503 -2.0962310451 0.6646775367 0 1.528041253 -3.4201002038 -1.4240781019 0 0.2866778186 -2.1571558514 -1.5316674459 0 1.3254156733 -2.5145386469 -2.9293089337 0 4.063383741 -2.6734097585 -1.3896390027 0 4.4247703142 -0.9370331472 -1.4289698475 0 3.8089818974 -1.7558940259 -2.8816258575 0 -0.4829539591 0.0367480709 2.2751896651 0 2.7347009033 2.9776050553 0.4374796539 0 3.4912996304 2.4291162929 1.95114468 0 -0.5138773273 1.0100765114 -1.8837575368 0 -2.8673337583 0.2992585745 -2.045736396 0 -2.3568183938 -0.8409798919 3.3657949814 0 -3.9127629808 -0.2473317946 2.7646762084 0 -3.387761343 -1.8804292285 2.3710932972 0 4.9535777474 2.8021726969 -0.7280141305 0 5.0591635394 3.9082028768 0.655207801 0 5.7047770138 2.2601649637 0.784987062 0 -4.6323049071 -1.1619157965 -2.4079137996 0 -5.1760132344 0.4976756495 -2.0069320677 0 -6.2689253154 -0.8825863807 -1.7797259847 Gaussian 16 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C13H22NO3PS)] 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.7344,-.8112,.0074;2.1474,.1369,.9558;.9503,.9956,.2357;3.3926,1.009,.4335;2.0161,-.0319,2.4203;2.2194,-1.2716,.1161;2.3085,-1.3948,-1.3486;1.2973,-2.4331,-1.8392;3.7407,-1.7069,-1.791;-.3714,.5573,.2025;-2.3526,-.3351,1.2724;-1.024,.0848,1.3379;3.5541,2.3889,.86;-1.0355,.6349,-1.0119;-3.0329,-.2608,.0362;-2.3657,.2294,-1.0905;-3.036,-.8531,2.5125;4.9016,2.8668,.3612;-5.2301,-.5553,-1.7258;2.0241,-.4182,-1.7499;2.4188,-2.0962,.6647;1.528,-3.4201,-1.4241;.2867,-2.1572,-1.5317;1.3254,-2.5145,-2.9293;4.0634,-2.6734,-1.3896;4.4248,-.937,-1.429;3.809,-1.7559,-2.8816;-.483,.0367,2.2752;2.7347,2.9776,.4375;3.4913,2.4291,1.9511;-.5139,1.0101,-1.8838;-2.8673,.2993,-2.0457;-2.3568,-.841,3.3658;-3.9128,-.2473,2.7647;-3.3878,-1.8804,2.3711;4.9536,2.8022,-.728;5.0592,3.9082,.6552;5.7048,2.2602,.785;-4.6323,-1.1619,-2.4079;-5.176,.4977,-2.0069;-6.2689,-.8826,-1.7797; 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 Fenamiphos CONF72 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 39 40 41 32 31 16 16 16 14 12 12 12 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 31.9720718 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 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 0 1 0 0 0 2 0 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 13.6000000 12.9400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 585 A 566 A 566 888 585 81 81 1818.7001199352 41 41 41 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 -0.0422141998 0.000000 7.011245 0.000000 5.969272 1.639876 0.000000 8.339204 1.607469 2.450334 0.000000 7.210909 1.479949 2.638910 2.631688 0.000000 6.969831 1.641399 2.601044 2.584271 2.624364 0.000000 7.195918 2.771708 3.173168 3.182656 4.018353 1.472574 0.000000 6.513129 3.890993 4.022678 4.626402 4.942198 2.454105 1.530156 0.000000 8.709938 3.671916 4.381489 3.527798 4.849177 2.478081 1.531104 2.549537 0.000000 4.576727 2.662493 1.392874 3.798037 3.311430 3.172514 3.660417 3.986942 5.100002 0.000000 2.738567 4.535794 3.708740 5.959694 4.527099 4.808069 5.451500 5.235038 6.956646 2.422053 0.000000 4.042277 3.194763 2.437654 4.601992 3.229066 3.721831 4.528988 4.671375 5.975115 1.392214 1.394936 0.000000 8.925556 2.656990 3.018354 1.453335 3.265049 3.966663 4.554756 5.969141 4.882421 4.381340 6.517590 5.147409 0.000000 4.100163 3.775090 2.372806 4.673058 4.640724 3.937242 3.926294 3.941962 5.376190 1.386286 2.809534 2.413313 5.257828 0.000000 1.788532 5.276307 4.181399 6.561780 5.588161 5.349244 5.633286 5.194807 7.163168 2.789344 1.412961 2.418558 7.147531 2.426948 0.000000 2.810523 4.956265 3.652648 6.007351 5.620820 4.973147 4.955075 4.589842 6.444202 2.399308 2.429503 2.778203 6.596301 1.392789 1.398246 0.000000 3.026853 5.501924 4.948937 7.008329 5.119174 5.791125 6.615540 6.341229 8.072973 3.798086 1.507694 2.511481 7.527957 4.317065 2.546130 3.821409 0.000000 10.320152 3.923235 4.373799 2.394539 4.579174 4.937732 5.273439 6.776611 5.186359 5.758800 7.981633 6.618640 1.514296 6.489762 8.534874 7.866222 9.026154 0.000000 1.820808 7.880278 6.667126 9.025569 8.364858 7.707225 7.594611 6.793076 9.044673 5.344483 4.161498 5.242869 9.618533 4.418219 2.831861 3.037154 4.781884 10.895821 0.000000 6.994180 2.764809 2.663545 2.945639 4.187976 2.061157 1.093468 2.143823 2.146900 3.240620 5.319435 4.367796 4.127001 3.318861 5.365382 4.485969 6.630316 4.850623 7.255512 0.000000 7.297278 2.268274 3.449628 3.262561 2.739627 1.010250 2.134801 2.764178 2.815938 3.878137 5.122206 4.130657 4.630738 4.711898 5.786519 5.601810 5.891883 5.557739 8.160538 2.966733 0.000000 6.933464 4.324306 4.752618 5.152087 5.147499 2.732407 2.171776 1.095331 2.822351 4.698252 5.643405 5.140556 6.562501 4.815060 5.737187 5.347079 6.551099 7.354835 7.346501 3.059975 2.628480 0.000000 5.421346 3.861691 3.674796 4.851093 4.808848 2.689751 2.168525 1.091794 3.492895 3.287680 4.260141 3.870189 6.087901 3.132725 4.132031 3.595177 5.394094 7.079626 5.747939 2.467793 3.061603 1.774144 0.000000 6.945956 4.774938 4.741247 5.291204 5.937858 3.408610 2.172312 1.093501 2.789568 4.703592 5.994378 5.521319 6.585544 4.378310 5.733077 4.953230 7.169093 7.250919 6.947098 2.504745 3.779831 1.768281 1.777667 0.000000 9.100528 4.131549 5.078867 4.163383 5.067963 2.762699 2.171648 2.812699 1.095176 5.713129 7.329352 6.397505 5.563040 6.089875 7.629568 7.060359 8.303110 5.870443 9.537754 3.061777 2.694094 2.643236 3.814472 3.145202 0.000000 9.271920 3.467964 4.310253 2.884620 4.630079 2.713466 2.166695 3.491106 1.091634 5.281856 7.320709 6.195828 4.130300 5.697360 7.630222 6.898210 8.438325 4.230997 9.666992 2.477003 3.122688 3.815322 4.315444 3.787551 1.774021 0.000000 9.067933 4.590139 5.045867 4.336795 5.856326 3.427494 2.175313 2.802494 1.093857 5.686685 7.565720 6.674556 5.589634 5.716752 7.586822 6.728731 8.761596 5.751459 9.191448 2.501240 3.824241 3.177533 3.793419 2.597290 1.769910 1.777621 0.000000 4.892477 2.944436 2.670786 4.399689 2.504160 3.698138 4.793061 5.118362 6.116651 2.139974 2.153921 1.083299 4.881916 3.386420 3.406396 3.861342 2.714050 6.377019 6.236515 4.763733 3.945033 5.447796 4.460685 6.071744 6.437788 6.225336 6.944568 0.000000 8.386117 2.946765 2.674509 2.075639 3.674933 4.292426 4.742335 6.043618 5.284175 3.944712 6.127940 4.827708 1.093782 4.669436 6.626704 5.991766 7.230534 2.171119 8.977713 4.101354 5.088738 6.771415 6.019645 6.594315 6.085863 4.654499 5.880183 4.730658 0.000000 9.052034 2.837433 3.384404 2.080826 2.907429 4.322114 5.187454 6.543834 5.583213 4.634837 6.500201 5.124415 1.093732 5.700083 7.312138 6.956633 7.327571 2.169905 9.924197 4.894647 4.825361 7.032769 6.590408 7.276648 6.125674 4.860813 6.400852 4.650067 1.778894 0.000000 4.970513 3.988545 2.576094 4.542046 5.100084 4.083697 3.746439 3.890723 5.048948 2.139569 3.892540 3.390481 5.096790 1.083097 3.412741 2.160503 5.399960 6.149413 4.971734 2.915320 4.974337 4.899715 3.285760 4.110850 5.896062 5.328068 5.228140 4.271436 4.451131 5.723774 0.000000 2.989026 5.846698 4.501599 6.770310 6.625878 5.745977 5.490474 4.985213 6.910544 3.369110 3.417243 3.859134 7.351463 2.130025 2.162327 1.081167 4.704676 8.528940 2.532843 4.952581 6.405271 5.791322 4.030636 5.126139 7.569813 7.421833 7.035308 4.942123 6.687503 7.806636 2.463789 0.000000 4.114900 5.201195 4.909942 6.713939 4.546499 5.629182 6.655634 6.555856 8.032566 3.987934 2.153634 2.597294 7.186793 4.804982 3.446686 4.583102 1.090641 8.686793 5.853378 6.748390 5.628306 6.684825 5.718875 7.482512 8.197008 8.305958 8.825215 2.339058 7.005726 6.848011 5.863501 5.553867 0.000000 2.931822 6.336057 5.620497 7.770551 5.942721 6.757778 7.545856 7.288192 9.025521 4.444495 2.160689 3.239010 8.144398 4.828972 2.866855 4.181330 1.095087 9.652368 4.689862 7.460303 6.922181 7.564025 6.304070 8.062271 9.314672 9.358249 9.684102 3.476189 7.746279 7.914882 5.894187 4.952954 1.770516 0.000000 2.922940 6.058952 5.625863 7.620807 5.711447 6.074195 6.820513 6.323097 8.256403 4.443417 2.160265 3.243005 8.288535 4.827438 2.863682 4.180798 1.095100 9.761661 4.683488 6.957596 6.055915 6.398361 5.367460 7.121123 8.384002 8.738771 8.910650 3.481763 8.051329 8.128347 5.892197 4.952804 1.769952 1.759983 0.000000 10.365976 4.220623 4.496507 2.645961 5.154876 4.978377 4.999619 6.481629 4.788788 5.853245 8.199049 6.883546 2.156635 6.375518 8.587736 7.766723 9.364557 1.092391 10.769197 4.471820 5.688520 7.136910 6.857168 6.802696 5.586788 3.840916 5.169537 6.798727 2.512482 3.074950 5.868596 8.316708 9.136396 10.005517 10.055305 0.000000 10.890620 4.774048 5.053885 3.351410 5.282094 5.931750 6.301054 7.783713 6.265089 6.397203 8.562749 7.217278 2.148360 7.116118 9.123858 8.468139 9.573436 1.093510 11.465648 5.806389 6.559348 8.396206 8.021697 8.248712 6.963519 5.312491 6.793684 6.951803 2.513274 2.515024 6.775269 9.118604 9.214055 10.110084 10.382825 1.774191 0.000000 10.909331 4.146352 4.950325 2.652374 4.640522 5.006883 5.426383 6.952651 5.121590 6.337094 8.479050 7.093234 2.155878 7.162547 9.124820 8.530756 9.438088 1.092057 11.567311 5.210267 5.458074 7.388539 7.364469 7.468105 5.635897 4.094154 5.759064 6.741832 3.075197 2.507579 6.881612 9.237924 9.014821 10.134288 10.116052 1.774048 1.774736 0.000000 2.442768 7.678977 6.542889 8.785534 8.293901 7.302650 7.025053 6.090907 8.413373 5.284454 4.407452 5.348400 9.502840 4.256075 3.056796 2.967972 5.182112 10.714240 1.091175 6.730031 7.747985 6.634546 5.094576 6.131548 8.884621 9.112602 8.475408 6.370665 8.916539 9.893930 4.685481 2.319769 6.214222 5.301876 4.990397 10.508340 11.358406 11.347269 0.000000 2.442498 7.908305 6.542881 8.924032 8.462052 7.894937 7.748102 7.107808 9.187737 5.288624 4.406734 5.347692 9.381363 4.260576 3.056620 2.968116 5.179732 10.619801 1.091156 7.262645 8.458511 7.786722 6.092208 7.224458 9.787916 9.724581 9.304504 6.369759 8.643182 9.722096 4.691827 2.317515 6.213377 4.991902 5.293424 10.466850 11.112044 11.370698 1.791828 0.000000 2.356652 8.908306 7.727035 10.090671 9.327614 8.706166 8.603529 7.723657 10.043519 6.386195 4.995296 6.177776 10.684647 5.502787 3.762497 4.116657 5.373651 11.975946 1.090491 8.306031 9.106256 8.207201 6.682963 7.852313 10.493609 10.699585 10.175513 7.124955 10.044021 10.961239 6.059173 3.610865 6.463954 5.158163 5.150349 11.858673 12.538188 12.642159 1.775154 1.775163 0.000000 C13H22NO3PS 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9073,-.1034,-.0064;-2.067,-.5298,.5724;-.9998,-.6539,-.6665;-3.4174,-.4985,-.299;-1.9633,-1.5816,1.6084;-1.8788,.9991,1.1391;-1.8934,2.2253,.3238;-.7099,3.1142,.7116;-3.2389,2.9474,.4354;.3758,-.5302,-.4865;2.4354,-1.0704,.6679;1.0547,-1.207,.5231;-3.8161,-1.6582,-1.0789;1.0623,.2799,-1.3777;3.1391,-.2434,-.2361;2.4426,.4177,-1.2525;3.1483,-1.8047,1.7751;-5.2044,-1.3893,-1.6207;5.4176,1.0222,-1.3435;-1.7569,1.8994,-.711;-1.9615,1.1059,2.1403;-.7923,3.4287,1.7576;.2307,2.5739,.5869;-.6848,4.0155,.093;-3.4148,3.272,1.4665;-4.0516,2.2811,.1399;-3.2586,3.8344,-.2044;.495,-1.8358,1.2048;-3.0884,-1.7984,-1.8834;-3.8005,-2.5395,-.4313;.5187,.7947,-2.1604;2.9606,1.0522,-1.9582;2.4456,-2.3872,2.372;3.9053,-2.4874,1.3751;3.6671,-1.1083,2.4423;-5.2055,-.496,-2.2494;-5.5395,-2.2382,-2.2231;-5.9133,-1.2411,-.8033;4.9514,2.0035,-1.2417;5.2035,.5999,-2.3266;6.497,1.1305,-1.2327; 0.5525995 0.1550678 0.1417253 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= 566 RedAO= T EigKep= 1.40D-06 NBF= 566 NBsUse= 565 1.00D-06 EigRej= 5.16D-07 NBFU= 565 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= 577 577 577 577 577 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1529.00887214273 -1529.00887214256 0.000000000171 -1529.00887214 2 1.524512276806e+03 -7.236686123090e+03 2.364507068407e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414881798 LenY= 1414538988 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 4.5116 274.81 0.0277 0.000 80 83 -0.20135 81 82 0.67259 -1528.84307352 2 Singlet-A 4.7527 260.87 0.0008 0.000 81 83 -0.18247 81 84 0.64949 81 85 0.17283 3 Singlet-A 5.0041 247.77 0.2455 0.000 80 82 0.13437 81 83 0.65573 81 84 0.14593 81 85 0.12216 4 Singlet-A 5.1578 240.38 0.0369 0.000 81 84 -0.20961 81 85 0.58809 81 87 -0.13748 81 88 -0.23251 5 Singlet-A 5.3059 233.67 0.0114 0.000 81 86 0.55706 81 87 -0.30948 81 88 0.24259 81 89 0.14891 6 Singlet-A 5.5383 223.87 0.0029 0.000 81 85 0.30581 81 87 0.26211 81 88 0.52500 81 91 -0.14425 81 97 0.10544 7 Singlet-A 5.6041 221.24 0.0089 0.000 81 86 0.41019 81 87 0.45755 81 88 -0.25334 81 89 -0.16268 81 90 -0.10722 8 Singlet-A 5.7932 214.02 0.0058 0.000 81 87 0.26365 81 89 0.60566 81 91 0.11057 81 94 0.13501 9 Singlet-A 5.9222 209.36 0.0478 0.000 78 82 -0.38092 79 82 0.20584 80 82 -0.12500 80 83 0.45687 81 82 0.13253 81 90 -0.19490 10 Singlet-A 6.0088 206.34 0.0003 0.000 78 82 -0.11285 79 82 0.13404 80 83 0.11687 81 87 0.10902 81 90 0.60657 81 94 0.12208 81 95 -0.16343 PT22297.500S 2024-09-20T23:42:37.000 -88.85564 -77.18141 -19.15903 -19.14966 -19.07829 -14.32402 -10.23896 -10.23384 -10.22274 -10.20957 -10.20613 -10.19265 -10.18450 -10.17928 -10.17406 -10.17072 -10.16778 -10.16728 -10.16593 -7.94158 -6.66257 -5.90566 -5.90152 -5.89544 -4.82524 -4.82450 -4.82282 -1.09054 -1.04276 -0.97240 -0.91734 -0.87377 -0.80612 -0.78388 -0.77969 -0.76749 -0.74269 -0.69784 -0.69667 -0.67237 -0.64553 -0.61436 -0.61118 -0.60788 -0.57069 -0.54088 -0.52971 -0.50024 -0.48836 -0.48352 -0.47921 -0.45457 -0.45265 -0.44491 -0.44261 -0.43504 -0.42620 -0.42269 -0.42069 -0.41930 -0.41241 -0.39947 -0.39789 -0.39553 -0.39047 -0.38911 -0.37665 -0.36615 -0.36288 -0.35703 -0.35335 -0.34964 -0.34328 -0.32360 -0.32245 -0.29982 -0.29277 -0.28167 -0.26695 -0.25716 -0.21162 -0.01964 -0.01246 -0.00854 -0.00074 0.00754 0.01204 0.01421 0.02130 0.02929 0.03253 0.03637 0.03983 0.04242 0.04435 0.04689 0.04874 0.05763 0.05991 0.06118 0.06425 0.06800 0.06973 0.07528 0.07814 0.08037 0.08337 0.08487 0.08688 0.09315 0.09543 0.09930 0.10443 0.10697 0.10831 0.11131 0.11246 0.11454 0.11695 0.12119 0.12336 0.12930 0.13139 0.13574 0.13950 0.14405 0.14526 0.14989 0.15407 0.15570 0.15976 0.16312 0.16671 0.16737 0.17258 0.17548 0.17823 0.18069 0.18504 0.18888 0.19177 0.19392 0.19556 0.19715 0.20112 0.20319 0.20722 0.21039 0.21317 0.21852 0.22027 0.22475 0.22527 0.22877 0.23313 0.23557 0.23835 0.24035 0.24516 0.24776 0.25034 0.25423 0.25733 0.26053 0.26387 0.26564 0.26949 0.27473 0.27810 0.28428 0.29114 0.29146 0.29472 0.29978 0.30171 0.30276 0.30719 0.31291 0.31555 0.32060 0.32668 0.33064 0.33428 0.34819 0.34942 0.35750 0.35945 0.36167 0.36770 0.37279 0.37952 0.38388 0.39033 0.39535 0.39593 0.40142 0.40705 0.41315 0.41910 0.42450 0.43174 0.43639 0.44361 0.45407 0.45980 0.46701 0.47937 0.48756 0.49070 0.49859 0.50713 0.51073 0.51419 0.52510 0.53400 0.53891 0.54620 0.55094 0.55456 0.55463 0.55905 0.56355 0.57478 0.58341 0.58761 0.59565 0.59877 0.60496 0.60782 0.62126 0.62517 0.63252 0.63756 0.63975 0.64727 0.65433 0.65842 0.66333 0.67086 0.68021 0.68248 0.68870 0.69125 0.69920 0.70006 0.70664 0.71120 0.71139 0.71780 0.72165 0.72623 0.73558 0.73891 0.74474 0.74970 0.75078 0.76432 0.77112 0.77452 0.78075 0.78704 0.79273 0.79600 0.80695 0.81776 0.83547 0.84861 0.85156 0.86225 0.87581 0.88584 0.88680 0.90708 0.91351 0.92330 0.92845 0.94016 0.94193 0.94819 0.96561 0.97789 0.98688 0.99748 1.00892 1.01412 1.02180 1.02821 1.03954 1.04377 1.04810 1.05956 1.07062 1.08017 1.08369 1.09404 1.10502 1.10620 1.11135 1.12480 1.13330 1.14225 1.15331 1.17142 1.18548 1.19467 1.19795 1.20913 1.22735 1.24940 1.26304 1.27097 1.28840 1.30347 1.30780 1.31828 1.34557 1.35849 1.36689 1.37369 1.39419 1.41250 1.43104 1.43760 1.44954 1.45328 1.46076 1.46354 1.47212 1.47620 1.49588 1.49857 1.51407 1.51974 1.53132 1.53288 1.54441 1.54779 1.55779 1.56423 1.56687 1.57766 1.58207 1.59117 1.59327 1.59543 1.59824 1.60644 1.61849 1.62480 1.63136 1.63783 1.64419 1.64500 1.64939 1.65455 1.66869 1.68237 1.68500 1.69595 1.71136 1.71400 1.73741 1.74533 1.75369 1.76287 1.77338 1.77516 1.78508 1.79555 1.80043 1.80363 1.80748 1.81299 1.82571 1.84129 1.84548 1.85109 1.88208 1.89197 1.90703 1.91400 1.91601 1.92838 1.94595 1.96203 1.96613 1.97272 1.98568 1.99856 2.01351 2.02628 2.03251 2.03875 2.04420 2.05064 2.05538 2.07516 2.09454 2.09659 2.10913 2.11851 2.13247 2.15445 2.15911 2.17146 2.17680 2.18463 2.20428 2.22854 2.23342 2.25476 2.26248 2.29239 2.29921 2.31527 2.33548 2.33791 2.36506 2.37191 2.39345 2.40858 2.42065 2.44485 2.45277 2.45508 2.45698 2.46355 2.47310 2.48346 2.49163 2.50165 2.52165 2.52473 2.52872 2.53450 2.54318 2.55270 2.55630 2.57423 2.58039 2.58276 2.58433 2.59105 2.59825 2.62481 2.63008 2.64191 2.64680 2.65715 2.68360 2.69243 2.69853 2.70455 2.71110 2.72357 2.72974 2.74227 2.75663 2.76683 2.78430 2.79512 2.80804 2.80936 2.83057 2.84701 2.85582 2.85670 2.87602 2.89314 2.89486 2.90132 2.90938 2.93145 2.93722 2.94632 2.94898 2.97826 2.98133 2.99581 3.00830 3.02660 3.04372 3.06577 3.10393 3.11324 3.11787 3.13762 3.14307 3.18115 3.19455 3.21156 3.22957 3.24891 3.26000 3.28273 3.34855 3.36836 3.39609 3.45427 3.47366 3.57386 3.57933 3.62811 3.64114 3.69715 3.72870 3.73497 3.76491 3.78953 3.79583 3.80641 3.81157 3.81288 3.82057 3.83612 3.84626 3.89367 3.97946 4.01978 4.08538 4.09349 4.17670 4.19542 4.23317 4.32084 4.33729 4.41199 4.82231 4.84931 5.05191 5.09031 5.11995 5.13253 5.15571 5.21744 5.31832 5.51394 5.68482 7.35871 7.99634 14.00288 14.07721 14.18685 17.32431 17.52995 17.54395 23.57356 23.80119 23.85454 23.90063 23.92418 23.92869 23.96508 23.96823 23.97462 23.98816 24.04681 24.09965 24.18110 35.56990 49.92277 49.96187 49.98523 163.47598 189.17399 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 39 40 41 S P O O O N C C C 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 -0.650033 0.236716 -0.167059 -0.167602 -0.102079 -0.470511 0.146278 -0.607479 -0.515145 -0.753703 0.167935 0.269628 -0.094398 0.027007 0.180312 0.172833 -0.335618 -0.465061 -0.476439 0.150211 0.308770 0.134303 0.174337 0.141120 0.138965 0.165583 0.138275 0.172871 0.176353 0.187339 0.116717 0.127089 0.147471 0.172367 0.169496 0.143155 0.146078 0.152048 0.179497 0.180952 0.181420 -0.00000 0.1606 3.2204 -2.5433 4.1067 -121.5848 -128.1582 -128.5618 2.3241 1.0525 2.7952 4.5168 -2.0566 -2.4602 2.3241 1.0525 2.7952 -22.6867 2.5041 -1.1603 -17.1750 13.0264 -49.9857 -3.3444 12.9923 -8.2243 -36.8258 -7644.6459 -1900.3482 -988.6726 294.8599 -113.1690 23.9523 3.9053 -6.2707 21.3757 -1610.0548 -1456.2999 -483.8725 -2.3958 36.9225 -11.4081 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON18 ALCAMI 2024-09-20T00:00:00.000 0 Electronic spectrum FenamiphosCONF72 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1529.0088721 RMSD=5.921e-10 PG=C01 [X(C13H22N1O3P1S1)] 0 -4.7343523996 -0.8112234151 0.0073954897 0 2.1474462381 0.1368562257 0.9558430189 0 0.950308038 0.9956269027 0.2357270407 0 3.3926140253 1.0089982007 0.4334610386 0 2.0160573963 -0.0319287371 2.4202531485 0 2.2194046976 -1.2716439453 0.1161173048 0 2.3085136572 -1.3948162616 -1.3485880634 0 1.2972644841 -2.4331055966 -1.8392082199 0 3.7407046694 -1.7068718367 -1.7910028212 0 -0.371392003 0.5573319783 0.2025013431 0 -2.3526074126 -0.3350681919 1.2724309394 0 -1.0239635067 0.0847736602 1.3378860838 0 3.5540542492 2.3889341754 0.8599543456 0 -1.0355404679 0.6348880503 -1.0118629213 0 -3.032859537 -0.2608270433 0.0362253871 0 -2.3656766446 0.2294165371 -1.0905485312 0 -3.0359894338 -0.8530547995 2.5125202168 0 4.9016488054 2.866795865 0.3612269917 0 -5.2301172002 -0.5552587223 -1.7258210818 0 2.024060679 -0.4182208922 -1.7498613682 0 2.4187590503 -2.0962310451 0.6646775367 0 1.528041253 -3.4201002038 -1.4240781019 0 0.2866778186 -2.1571558514 -1.5316674459 0 1.3254156733 -2.5145386469 -2.9293089337 0 4.063383741 -2.6734097585 -1.3896390027 0 4.4247703142 -0.9370331472 -1.4289698475 0 3.8089818974 -1.7558940259 -2.8816258575 0 -0.4829539591 0.0367480709 2.2751896651 0 2.7347009033 2.9776050553 0.4374796539 0 3.4912996304 2.4291162929 1.95114468 0 -0.5138773273 1.0100765114 -1.8837575368 0 -2.8673337583 0.2992585745 -2.045736396 0 -2.3568183938 -0.8409798919 3.3657949814 0 -3.9127629808 -0.2473317946 2.7646762084 0 -3.387761343 -1.8804292285 2.3710932972 0 4.9535777474 2.8021726969 -0.7280141305 0 5.0591635394 3.9082028768 0.655207801 0 5.7047770138 2.2601649637 0.784987062 0 -4.6323049071 -1.1619157965 -2.4079137996 0 -5.1760132344 0.4976756495 -2.0069320677 0 -6.2689253154 -0.8825863807 -1.7797259847 Gaussian 16 20-Sep-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C13H22NO3PS)] 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.7344,-.8112,.0074;2.1474,.1369,.9558;.9503,.9956,.2357;3.3926,1.009,.4335;2.0161,-.0319,2.4203;2.2194,-1.2716,.1161;2.3085,-1.3948,-1.3486;1.2973,-2.4331,-1.8392;3.7407,-1.7069,-1.791;-.3714,.5573,.2025;-2.3526,-.3351,1.2724;-1.024,.0848,1.3379;3.5541,2.3889,.86;-1.0355,.6349,-1.0119;-3.0329,-.2608,.0362;-2.3657,.2294,-1.0905;-3.036,-.8531,2.5125;4.9016,2.8668,.3612;-5.2301,-.5553,-1.7258;2.0241,-.4182,-1.7499;2.4188,-2.0962,.6647;1.528,-3.4201,-1.4241;.2867,-2.1572,-1.5317;1.3254,-2.5145,-2.9293;4.0634,-2.6734,-1.3896;4.4248,-.937,-1.429;3.809,-1.7559,-2.8816;-.483,.0367,2.2752;2.7347,2.9776,.4375;3.4913,2.4291,1.9511;-.5139,1.0101,-1.8838;-2.8673,.2993,-2.0457;-2.3568,-.841,3.3658;-3.9128,-.2473,2.7647;-3.3878,-1.8804,2.3711;4.9536,2.8022,-.728;5.0592,3.9082,.6552;5.7048,2.2602,.785;-4.6323,-1.1619,-2.4079;-5.176,.4977,-2.0069;-6.2689,-.8826,-1.7797; 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 Fenamiphos CONF72 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 39 40 41 32 31 16 16 16 14 12 12 12 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 31.9720718 30.9737634 15.9949146 15.9949146 15.9949146 14.0030740 12.0000000 12.0000000 12.0000000 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 0 1 0 0 0 2 0 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 13.6000000 12.9400000 5.6000000 5.6000000 5.6000000 4.5500000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1069 A 955 A 955 1372 1069 81 81 1818.7001199352 41 41 41 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 -0.0422141998 0.000000 7.011245 0.000000 5.969272 1.639876 0.000000 8.339204 1.607469 2.450334 0.000000 7.210909 1.479949 2.638910 2.631688 0.000000 6.969831 1.641399 2.601044 2.584271 2.624364 0.000000 7.195918 2.771708 3.173168 3.182656 4.018353 1.472574 0.000000 6.513129 3.890993 4.022678 4.626402 4.942198 2.454105 1.530156 0.000000 8.709938 3.671916 4.381489 3.527798 4.849177 2.478081 1.531104 2.549537 0.000000 4.576727 2.662493 1.392874 3.798037 3.311430 3.172514 3.660417 3.986942 5.100002 0.000000 2.738567 4.535794 3.708740 5.959694 4.527099 4.808069 5.451500 5.235038 6.956646 2.422053 0.000000 4.042277 3.194763 2.437654 4.601992 3.229066 3.721831 4.528988 4.671375 5.975115 1.392214 1.394936 0.000000 8.925556 2.656990 3.018354 1.453335 3.265049 3.966663 4.554756 5.969141 4.882421 4.381340 6.517590 5.147409 0.000000 4.100163 3.775090 2.372806 4.673058 4.640724 3.937242 3.926294 3.941962 5.376190 1.386286 2.809534 2.413313 5.257828 0.000000 1.788532 5.276307 4.181399 6.561780 5.588161 5.349244 5.633286 5.194807 7.163168 2.789344 1.412961 2.418558 7.147531 2.426948 0.000000 2.810523 4.956265 3.652648 6.007351 5.620820 4.973147 4.955075 4.589842 6.444202 2.399308 2.429503 2.778203 6.596301 1.392789 1.398246 0.000000 3.026853 5.501924 4.948937 7.008329 5.119174 5.791125 6.615540 6.341229 8.072973 3.798086 1.507694 2.511481 7.527957 4.317065 2.546130 3.821409 0.000000 10.320152 3.923235 4.373799 2.394539 4.579174 4.937732 5.273439 6.776611 5.186359 5.758800 7.981633 6.618640 1.514296 6.489762 8.534874 7.866222 9.026154 0.000000 1.820808 7.880278 6.667126 9.025569 8.364858 7.707225 7.594611 6.793076 9.044673 5.344483 4.161498 5.242869 9.618533 4.418219 2.831861 3.037154 4.781884 10.895821 0.000000 6.994180 2.764809 2.663545 2.945639 4.187976 2.061157 1.093468 2.143823 2.146900 3.240620 5.319435 4.367796 4.127001 3.318861 5.365382 4.485969 6.630316 4.850623 7.255512 0.000000 7.297278 2.268274 3.449628 3.262561 2.739627 1.010250 2.134801 2.764178 2.815938 3.878137 5.122206 4.130657 4.630738 4.711898 5.786519 5.601810 5.891883 5.557739 8.160538 2.966733 0.000000 6.933464 4.324306 4.752618 5.152087 5.147499 2.732407 2.171776 1.095331 2.822351 4.698252 5.643405 5.140556 6.562501 4.815060 5.737187 5.347079 6.551099 7.354835 7.346501 3.059975 2.628480 0.000000 5.421346 3.861691 3.674796 4.851093 4.808848 2.689751 2.168525 1.091794 3.492895 3.287680 4.260141 3.870189 6.087901 3.132725 4.132031 3.595177 5.394094 7.079626 5.747939 2.467793 3.061603 1.774144 0.000000 6.945956 4.774938 4.741247 5.291204 5.937858 3.408610 2.172312 1.093501 2.789568 4.703592 5.994378 5.521319 6.585544 4.378310 5.733077 4.953230 7.169093 7.250919 6.947098 2.504745 3.779831 1.768281 1.777667 0.000000 9.100528 4.131549 5.078867 4.163383 5.067963 2.762699 2.171648 2.812699 1.095176 5.713129 7.329352 6.397505 5.563040 6.089875 7.629568 7.060359 8.303110 5.870443 9.537754 3.061777 2.694094 2.643236 3.814472 3.145202 0.000000 9.271920 3.467964 4.310253 2.884620 4.630079 2.713466 2.166695 3.491106 1.091634 5.281856 7.320709 6.195828 4.130300 5.697360 7.630222 6.898210 8.438325 4.230997 9.666992 2.477003 3.122688 3.815322 4.315444 3.787551 1.774021 0.000000 9.067933 4.590139 5.045867 4.336795 5.856326 3.427494 2.175313 2.802494 1.093857 5.686685 7.565720 6.674556 5.589634 5.716752 7.586822 6.728731 8.761596 5.751459 9.191448 2.501240 3.824241 3.177533 3.793419 2.597290 1.769910 1.777621 0.000000 4.892477 2.944436 2.670786 4.399689 2.504160 3.698138 4.793061 5.118362 6.116651 2.139974 2.153921 1.083299 4.881916 3.386420 3.406396 3.861342 2.714050 6.377019 6.236515 4.763733 3.945033 5.447796 4.460685 6.071744 6.437788 6.225336 6.944568 0.000000 8.386117 2.946765 2.674509 2.075639 3.674933 4.292426 4.742335 6.043618 5.284175 3.944712 6.127940 4.827708 1.093782 4.669436 6.626704 5.991766 7.230534 2.171119 8.977713 4.101354 5.088738 6.771415 6.019645 6.594315 6.085863 4.654499 5.880183 4.730658 0.000000 9.052034 2.837433 3.384404 2.080826 2.907429 4.322114 5.187454 6.543834 5.583213 4.634837 6.500201 5.124415 1.093732 5.700083 7.312138 6.956633 7.327571 2.169905 9.924197 4.894647 4.825361 7.032769 6.590408 7.276648 6.125674 4.860813 6.400852 4.650067 1.778894 0.000000 4.970513 3.988545 2.576094 4.542046 5.100084 4.083697 3.746439 3.890723 5.048948 2.139569 3.892540 3.390481 5.096790 1.083097 3.412741 2.160503 5.399960 6.149413 4.971734 2.915320 4.974337 4.899715 3.285760 4.110850 5.896062 5.328068 5.228140 4.271436 4.451131 5.723774 0.000000 2.989026 5.846698 4.501599 6.770310 6.625878 5.745977 5.490474 4.985213 6.910544 3.369110 3.417243 3.859134 7.351463 2.130025 2.162327 1.081167 4.704676 8.528940 2.532843 4.952581 6.405271 5.791322 4.030636 5.126139 7.569813 7.421833 7.035308 4.942123 6.687503 7.806636 2.463789 0.000000 4.114900 5.201195 4.909942 6.713939 4.546499 5.629182 6.655634 6.555856 8.032566 3.987934 2.153634 2.597294 7.186793 4.804982 3.446686 4.583102 1.090641 8.686793 5.853378 6.748390 5.628306 6.684825 5.718875 7.482512 8.197008 8.305958 8.825215 2.339058 7.005726 6.848011 5.863501 5.553867 0.000000 2.931822 6.336057 5.620497 7.770551 5.942721 6.757778 7.545856 7.288192 9.025521 4.444495 2.160689 3.239010 8.144398 4.828972 2.866855 4.181330 1.095087 9.652368 4.689862 7.460303 6.922181 7.564025 6.304070 8.062271 9.314672 9.358249 9.684102 3.476189 7.746279 7.914882 5.894187 4.952954 1.770516 0.000000 2.922940 6.058952 5.625863 7.620807 5.711447 6.074195 6.820513 6.323097 8.256403 4.443417 2.160265 3.243005 8.288535 4.827438 2.863682 4.180798 1.095100 9.761661 4.683488 6.957596 6.055915 6.398361 5.367460 7.121123 8.384002 8.738771 8.910650 3.481763 8.051329 8.128347 5.892197 4.952804 1.769952 1.759983 0.000000 10.365976 4.220623 4.496507 2.645961 5.154876 4.978377 4.999619 6.481629 4.788788 5.853245 8.199049 6.883546 2.156635 6.375518 8.587736 7.766723 9.364557 1.092391 10.769197 4.471820 5.688520 7.136910 6.857168 6.802696 5.586788 3.840916 5.169537 6.798727 2.512482 3.074950 5.868596 8.316708 9.136396 10.005517 10.055305 0.000000 10.890620 4.774048 5.053885 3.351410 5.282094 5.931750 6.301054 7.783713 6.265089 6.397203 8.562749 7.217278 2.148360 7.116118 9.123858 8.468139 9.573436 1.093510 11.465648 5.806389 6.559348 8.396206 8.021697 8.248712 6.963519 5.312491 6.793684 6.951803 2.513274 2.515024 6.775269 9.118604 9.214055 10.110084 10.382825 1.774191 0.000000 10.909331 4.146352 4.950325 2.652374 4.640522 5.006883 5.426383 6.952651 5.121590 6.337094 8.479050 7.093234 2.155878 7.162547 9.124820 8.530756 9.438088 1.092057 11.567311 5.210267 5.458074 7.388539 7.364469 7.468105 5.635897 4.094154 5.759064 6.741832 3.075197 2.507579 6.881612 9.237924 9.014821 10.134288 10.116052 1.774048 1.774736 0.000000 2.442768 7.678977 6.542889 8.785534 8.293901 7.302650 7.025053 6.090907 8.413373 5.284454 4.407452 5.348400 9.502840 4.256075 3.056796 2.967972 5.182112 10.714240 1.091175 6.730031 7.747985 6.634546 5.094576 6.131548 8.884621 9.112602 8.475408 6.370665 8.916539 9.893930 4.685481 2.319769 6.214222 5.301876 4.990397 10.508340 11.358406 11.347269 0.000000 2.442498 7.908305 6.542881 8.924032 8.462052 7.894937 7.748102 7.107808 9.187737 5.288624 4.406734 5.347692 9.381363 4.260576 3.056620 2.968116 5.179732 10.619801 1.091156 7.262645 8.458511 7.786722 6.092208 7.224458 9.787916 9.724581 9.304504 6.369759 8.643182 9.722096 4.691827 2.317515 6.213377 4.991902 5.293424 10.466850 11.112044 11.370698 1.791828 0.000000 2.356652 8.908306 7.727035 10.090671 9.327614 8.706166 8.603529 7.723657 10.043519 6.386195 4.995296 6.177776 10.684647 5.502787 3.762497 4.116657 5.373651 11.975946 1.090491 8.306031 9.106256 8.207201 6.682963 7.852313 10.493609 10.699585 10.175513 7.124955 10.044021 10.961239 6.059173 3.610865 6.463954 5.158163 5.150349 11.858673 12.538188 12.642159 1.775154 1.775163 0.000000 C13H22NO3PS 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 0 0 0 281.1827609999998 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;6;3;4;5;2;1;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nS0P0O0O0O0N0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9073,-.1034,-.0064;-2.067,-.5298,.5724;-.9998,-.6539,-.6665;-3.4174,-.4985,-.299;-1.9633,-1.5816,1.6084;-1.8788,.9991,1.1391;-1.8934,2.2253,.3238;-.7099,3.1142,.7116;-3.2389,2.9474,.4354;.3758,-.5302,-.4865;2.4354,-1.0704,.6679;1.0547,-1.207,.5231;-3.8161,-1.6582,-1.0789;1.0623,.2799,-1.3777;3.1391,-.2434,-.2361;2.4426,.4177,-1.2525;3.1483,-1.8047,1.7751;-5.2044,-1.3893,-1.6207;5.4176,1.0222,-1.3435;-1.7569,1.8994,-.711;-1.9615,1.1059,2.1403;-.7923,3.4287,1.7576;.2307,2.5739,.5869;-.6848,4.0155,.093;-3.4148,3.272,1.4665;-4.0516,2.2811,.1399;-3.2586,3.8344,-.2044;.495,-1.8358,1.2048;-3.0884,-1.7984,-1.8834;-3.8005,-2.5395,-.4313;.5187,.7947,-2.1604;2.9606,1.0522,-1.9582;2.4456,-2.3872,2.372;3.9053,-2.4874,1.3751;3.6671,-1.1083,2.4423;-5.2055,-.496,-2.2494;-5.5395,-2.2382,-2.2231;-5.9133,-1.2411,-.8033;4.9514,2.0035,-1.2417;5.2035,.5999,-2.3266;6.497,1.1305,-1.2327; 0.5525995 0.1550678 0.1417253 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= 955 RedAO= T EigKep= 1.21D-06 NBF= 955 NBsUse= 952 1.00D-06 EigRej= 9.00D-07 NBFU= 952 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= 1045 1045 1045 1045 1045 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1529.01484003096 -1529.10611806559 -0.091278034630 -1529.10537460450 0.000743461083 -1529.10768343664 -0.002308832141 -1529.10775209636 -0.000068659719 -1529.10776354799 -0.000011451623 -1529.10776472222 -0.000001174231 -1529.10776481474 -0.000000092525 -1529.10776483501 -0.000000020266 -1529.10776483623 -0.000000001219 -1529.10776483653 -0.000000000299 -1529.10776483646 0.000000000069 -1529.10776484 12 1.524187767880e+03 -7.237054026232e+03 2.365100587781e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1413273482 LenY= 1412129652 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. PT20625.300S 2024-09-21T00:58:05.000 -88.85444 -77.16346 -19.15803 -19.14906 -19.07475 -14.32164 -10.23666 -10.23205 -10.22111 -10.20750 -10.20296 -10.19118 -10.18262 -10.17732 -10.17202 -10.16958 -10.16601 -10.16598 -10.16500 -7.93914 -6.64062 -5.90286 -5.89913 -5.89380 -4.80395 -4.80298 -4.80086 -1.08368 -1.03812 -0.96346 -0.91336 -0.87106 -0.80256 -0.78157 -0.77769 -0.76597 -0.73988 -0.69749 -0.69498 -0.66864 -0.64286 -0.61163 -0.60908 -0.60554 -0.56805 -0.53730 -0.52593 -0.49794 -0.48700 -0.48216 -0.47708 -0.45283 -0.45142 -0.44379 -0.44136 -0.43377 -0.42536 -0.42114 -0.41908 -0.41773 -0.41106 -0.39876 -0.39764 -0.39440 -0.38907 -0.38794 -0.37522 -0.36532 -0.36169 -0.35587 -0.35248 -0.34872 -0.34213 -0.32295 -0.32110 -0.29864 -0.29209 -0.28130 -0.26663 -0.25673 -0.21095 -0.01995 -0.01318 -0.00956 -0.00186 0.00663 0.01082 0.01319 0.02014 0.02839 0.03112 0.03509 0.03810 0.04114 0.04311 0.04559 0.04678 0.05591 0.05825 0.05969 0.06269 0.06581 0.06829 0.07338 0.07668 0.07911 0.08172 0.08282 0.08451 0.09191 0.09334 0.09729 0.10196 0.10491 0.10720 0.10995 0.11071 0.11238 0.11464 0.11894 0.12200 0.12710 0.12834 0.13386 0.13580 0.14048 0.14374 0.14735 0.14913 0.15298 0.15595 0.16011 0.16222 0.16283 0.16874 0.17082 0.17442 0.17611 0.17976 0.18355 0.18688 0.18886 0.19042 0.19191 0.19569 0.19778 0.20148 0.20490 0.20808 0.21180 0.21348 0.21788 0.21998 0.22159 0.22739 0.22846 0.22988 0.23279 0.24026 0.24112 0.24338 0.24633 0.24893 0.25024 0.25320 0.25518 0.25826 0.26306 0.26957 0.27314 0.27725 0.28018 0.28266 0.28514 0.28862 0.29087 0.29421 0.29821 0.29924 0.30110 0.30496 0.30934 0.31239 0.31409 0.32407 0.32581 0.32790 0.32909 0.33209 0.33592 0.33688 0.34599 0.34682 0.35142 0.35590 0.35836 0.36439 0.36520 0.36851 0.37091 0.37466 0.37923 0.38293 0.39224 0.39968 0.40037 0.40149 0.41043 0.41360 0.41711 0.41901 0.42480 0.43084 0.43164 0.44098 0.44374 0.44641 0.44725 0.45134 0.45377 0.45927 0.46371 0.46561 0.47288 0.47684 0.48140 0.48498 0.49052 0.49872 0.50234 0.50316 0.50579 0.51043 0.51195 0.51413 0.52509 0.52603 0.52872 0.53581 0.54490 0.54594 0.55116 0.55258 0.55648 0.56625 0.56885 0.57294 0.57725 0.57926 0.58376 0.58888 0.59062 0.59742 0.60258 0.60763 0.60816 0.61636 0.62513 0.62896 0.63114 0.63459 0.63718 0.64215 0.64460 0.64907 0.65136 0.65373 0.65645 0.66564 0.66799 0.67341 0.67583 0.67991 0.68372 0.69172 0.69410 0.69880 0.70002 0.70388 0.70714 0.71031 0.71530 0.71771 0.72381 0.72816 0.73253 0.73772 0.74285 0.74902 0.75037 0.75274 0.76117 0.76687 0.76834 0.77032 0.77341 0.78077 0.78950 0.79597 0.79846 0.80256 0.80660 0.81369 0.81799 0.82776 0.83015 0.83941 0.84293 0.84997 0.85517 0.86862 0.87062 0.87426 0.87839 0.88268 0.88763 0.88800 0.89190 0.90177 0.90446 0.91150 0.91749 0.92136 0.92361 0.93726 0.94672 0.95127 0.95872 0.96356 0.96403 0.97504 0.97559 0.98260 0.98577 0.99950 1.00268 1.00362 1.01670 1.02062 1.02893 1.03393 1.03430 1.04825 1.05144 1.05426 1.06768 1.06925 1.07872 1.08178 1.08971 1.09268 1.09566 1.10104 1.10346 1.10964 1.11753 1.11989 1.12506 1.12650 1.12895 1.13731 1.14025 1.14435 1.14681 1.15165 1.15530 1.15747 1.16435 1.16822 1.17083 1.17766 1.17804 1.18395 1.18544 1.19292 1.20348 1.20902 1.21382 1.21435 1.21993 1.22835 1.23402 1.23857 1.24140 1.24407 1.25052 1.25246 1.26534 1.26624 1.27019 1.27597 1.27630 1.28550 1.29101 1.29919 1.30111 1.30778 1.31753 1.32216 1.32759 1.33152 1.33321 1.33778 1.34561 1.35209 1.35920 1.36447 1.36616 1.36766 1.37408 1.38129 1.38493 1.38801 1.39827 1.40078 1.40477 1.40649 1.41217 1.42171 1.42284 1.42710 1.43168 1.43200 1.44247 1.45492 1.45884 1.46360 1.47232 1.47404 1.48134 1.48532 1.49153 1.50255 1.50355 1.51139 1.51438 1.52092 1.52772 1.53371 1.54466 1.55049 1.55423 1.55956 1.57017 1.57361 1.57864 1.58979 1.59230 1.59870 1.60187 1.60440 1.61146 1.62649 1.64320 1.64995 1.65819 1.65936 1.66877 1.67572 1.69008 1.69213 1.70691 1.72201 1.72427 1.73585 1.74194 1.74921 1.75931 1.76938 1.77487 1.78396 1.79443 1.80262 1.81528 1.82933 1.83931 1.85132 1.85290 1.85720 1.86319 1.88230 1.88820 1.89176 1.89551 1.91901 1.93557 1.93686 1.94581 1.95187 1.96342 1.96931 1.97796 1.98850 1.99200 2.00346 2.02306 2.03076 2.03248 2.04339 2.04641 2.05696 2.06203 2.06742 2.07568 2.08538 2.09188 2.09896 2.10450 2.11007 2.12366 2.13115 2.13260 2.14003 2.14530 2.14801 2.16327 2.17907 2.18097 2.19540 2.20552 2.21665 2.23093 2.24433 2.24730 2.26233 2.26406 2.27483 2.29386 2.29978 2.31034 2.31288 2.32245 2.33290 2.34789 2.36378 2.37390 2.40574 2.43005 2.44280 2.44582 2.45154 2.45812 2.46879 2.49951 2.52130 2.52929 2.54601 2.55963 2.58289 2.61543 2.64471 2.65593 2.65872 2.67341 2.68536 2.68852 2.70696 2.73073 2.74557 2.75840 2.77378 2.77560 2.78432 2.79524 2.79757 2.81207 2.81823 2.83363 2.84368 2.85785 2.85952 2.86237 2.87855 2.88738 2.89187 2.89695 2.90021 2.91015 2.92176 2.93627 2.93953 2.94131 2.94526 2.94893 2.95549 2.96141 2.96323 2.97465 2.98996 2.99744 3.00133 3.00881 3.01874 3.04029 3.04915 3.05351 3.07591 3.08550 3.09067 3.10400 3.10717 3.12125 3.12895 3.13216 3.13393 3.14315 3.14831 3.15196 3.16399 3.17416 3.18977 3.19511 3.20114 3.21010 3.21539 3.22218 3.23602 3.24948 3.25028 3.25516 3.25946 3.26422 3.27500 3.27665 3.30221 3.30681 3.31561 3.32121 3.32908 3.34138 3.34552 3.35341 3.36131 3.37258 3.37603 3.37833 3.39922 3.41394 3.42815 3.43501 3.44141 3.45342 3.46308 3.48264 3.48859 3.50231 3.52506 3.52762 3.53373 3.54088 3.55014 3.56064 3.57439 3.57575 3.57681 3.60115 3.60811 3.61555 3.62445 3.62837 3.63831 3.65586 3.65784 3.66835 3.67829 3.68100 3.69963 3.70645 3.71085 3.71750 3.71952 3.73968 3.75180 3.76383 3.77484 3.78848 3.80140 3.80461 3.84731 3.86126 3.86955 3.88046 3.88892 3.89556 3.90051 3.91801 3.92233 3.93397 3.94102 3.95744 3.97078 3.97654 3.99015 4.01314 4.02677 4.06872 4.07741 4.08709 4.10081 4.12065 4.14747 4.15421 4.16844 4.17995 4.20066 4.20232 4.22605 4.24460 4.25429 4.26108 4.27173 4.27942 4.27958 4.28854 4.29124 4.30068 4.30706 4.31521 4.32087 4.32293 4.32859 4.33701 4.34899 4.35619 4.36245 4.36498 4.37014 4.37358 4.37625 4.38624 4.39786 4.40595 4.41385 4.44085 4.44618 4.46012 4.46327 4.46754 4.47467 4.47992 4.49188 4.49795 4.50270 4.50962 4.52040 4.54476 4.55341 4.55894 4.56243 4.57105 4.57884 4.58870 4.60098 4.60525 4.61243 4.63141 4.65131 4.65693 4.66052 4.67279 4.69150 4.71033 4.71767 4.73569 4.75216 4.76585 4.76878 4.78878 4.80863 4.83319 4.84730 4.85397 4.86064 4.87066 4.91570 4.95262 4.98107 5.02545 5.03991 5.07401 5.08717 5.09484 5.10491 5.11689 5.16636 5.19668 5.22093 5.23478 5.24006 5.26563 5.27441 5.28727 5.29225 5.31887 5.36102 5.38803 5.40274 5.43118 5.43187 5.46636 5.48274 5.51572 5.52788 5.54963 5.57106 5.59828 5.61713 5.62562 5.65511 5.66926 5.68721 5.73869 5.74224 5.74663 5.75784 5.76415 5.76662 5.78163 5.78487 5.78860 5.80304 5.81128 5.81994 5.84102 5.86081 5.86657 5.89651 5.91901 5.93058 5.95384 5.98743 6.11256 6.22066 6.28310 6.30071 6.32773 6.40619 6.52642 6.65496 6.76172 7.11842 7.14710 7.15211 7.15677 7.16669 7.18156 7.19260 7.20540 7.20939 7.21469 7.25078 7.28121 7.28551 7.28928 7.33905 7.33964 7.35267 7.36134 7.38749 7.42379 7.43167 7.44276 7.45389 7.47841 7.49891 7.52833 7.53756 7.54156 7.59073 7.63536 7.64929 7.67848 7.68281 7.74065 7.74540 7.76495 7.77777 7.86318 7.87712 7.88307 7.89309 7.90303 7.94393 7.94751 7.94917 7.98213 8.03727 8.08162 8.09015 8.12261 8.13173 8.14354 8.21525 8.26167 8.27831 8.30273 8.32854 8.34669 8.39769 8.43521 8.45755 8.47512 8.54017 8.57757 8.61963 8.69744 9.38591 10.37126 10.53212 10.68488 10.97921 11.14009 14.25146 14.30788 14.39301 14.41321 14.42916 14.44807 14.46105 14.47037 14.49238 14.52625 14.55529 14.58982 14.61956 14.76415 14.82605 14.95084 15.05743 15.21532 17.49505 17.96346 18.00323 24.00040 24.16345 24.23488 24.26592 24.39721 24.43837 24.49306 24.51579 24.93602 24.97211 25.34142 25.40887 25.78362 35.94968 50.18243 50.20887 50.25929 164.60808 189.68800 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 39 40 41 S P O O O N C C C 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 -0.468168 0.765234 -0.624860 -0.489642 -0.390139 -0.766936 0.299960 -0.549164 -0.375129 0.768519 0.446033 -0.434747 0.102350 -0.370485 0.513496 -0.455053 -0.674499 -0.481609 -0.429629 0.137907 0.205331 0.152308 0.200450 0.153030 0.153576 0.164100 0.150625 0.168877 0.175712 0.188136 0.137675 0.134529 0.138997 0.186673 0.185282 0.145475 0.147042 0.147202 0.188845 0.188953 0.163746 -0.00000 0.0643 3.1700 -2.5334 4.0585 -121.2113 -127.7479 -128.1709 1.9871 1.2545 2.9503 4.4988 -2.0379 -2.4609 1.9871 1.2545 2.9503 -26.3817 1.6727 -0.6673 -16.8950 12.7060 -48.4664 -3.8137 12.3615 -7.6677 -35.5445 -7632.5112 -1898.8046 -988.1129 285.2382 -110.6077 24.1476 3.8934 -7.4107 21.0990 -1608.1457 -1455.2073 -483.3241 -1.3681 34.3316 -10.8160 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON18 ALCAMI 2024-09-21T00:00:00.000 0 Single Point Fenamiphos CONF72 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1529.1077648 RMSD=4.294e-09 Dipole=0.0336406,-0.0026945,-1.5963687 Quadrupole=2.6963704,1.036812,-3.7331824,2.0019861,0.7003425,0.7996929 PG=C01 [X(C13H22N1O3P1S1)] 0 -4.7343523996 -0.8112234151 0.0073954897 0 2.1474462381 0.1368562257 0.9558430189 0 0.950308038 0.9956269027 0.2357270407 0 3.3926140253 1.0089982007 0.4334610386 0 2.0160573963 -0.0319287371 2.4202531485 0 2.2194046976 -1.2716439453 0.1161173048 0 2.3085136572 -1.3948162616 -1.3485880634 0 1.2972644841 -2.4331055966 -1.8392082199 0 3.7407046694 -1.7068718367 -1.7910028212 0 -0.371392003 0.5573319783 0.2025013431 0 -2.3526074126 -0.3350681919 1.2724309394 0 -1.0239635067 0.0847736602 1.3378860838 0 3.5540542492 2.3889341754 0.8599543456 0 -1.0355404679 0.6348880503 -1.0118629213 0 -3.032859537 -0.2608270433 0.0362253871 0 -2.3656766446 0.2294165371 -1.0905485312 0 -3.0359894338 -0.8530547995 2.5125202168 0 4.9016488054 2.866795865 0.3612269917 0 -5.2301172002 -0.5552587223 -1.7258210818 0 2.024060679 -0.4182208922 -1.7498613682 0 2.4187590503 -2.0962310451 0.6646775367 0 1.528041253 -3.4201002038 -1.4240781019 0 0.2866778186 -2.1571558514 -1.5316674459 0 1.3254156733 -2.5145386469 -2.9293089337 0 4.063383741 -2.6734097585 -1.3896390027 0 4.4247703142 -0.9370331472 -1.4289698475 0 3.8089818974 -1.7558940259 -2.8816258575 0 -0.4829539591 0.0367480709 2.2751896651 0 2.7347009033 2.9776050553 0.4374796539 0 3.4912996304 2.4291162929 1.95114468 0 -0.5138773273 1.0100765114 -1.8837575368 0 -2.8673337583 0.2992585745 -2.045736396 0 -2.3568183938 -0.8409798919 3.3657949814 0 -3.9127629808 -0.2473317946 2.7646762084 0 -3.387761343 -1.8804292285 2.3710932972 0 4.9535777474 2.8021726969 -0.7280141305 0 5.0591635394 3.9082028768 0.655207801 0 5.7047770138 2.2601649637 0.784987062 0 -4.6323049071 -1.1619157965 -2.4079137996 0 -5.1760132344 0.4976756495 -2.0069320677 0 -6.2689253154 -0.8825863807 -1.7797259847