Gaussian 16 GINC-BELVIS22 APULGAR Optimization pyraclostrobin CONF62 octanol EM64L-G16RevC.01 12-May-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 45 45 101 101 710 (5D, 7F) 6-311+G(d,p) 129 129 C1[X(C19H18ClN3O4)] C1[X(C19H18ClN3O4)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 369.67399999999975 0 1 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.3879,-.1196,-.8653;2.1306,-.6637,1.9566;4.1657,.439,.1885;1.4033,-.4926,-1.6632;3.4078,-1.5001,-1.4482;-.9182,-1.602,.7935;2.9764,.5115,-.482;-.1145,-.6725,1.3411;1.6484,1.6543,1.2295;2.105,1.5543,-.0866;2.0208,.6977,2.3341;.8313,2.7326,1.5555;1.7361,2.4978,-1.0386;1.0439,-1.2656,1.4737;-2.2234,-1.2574,.4164;.464,3.6772,.61;.9095,3.5551,-.6979;-.2661,-2.7708,.5885;1.0183,-2.6036,1.0254;-2.5789,.0837,.3044;-3.1658,-2.2442,.1435;2.651,-.5846,-1.2204;-3.8606,.4331,-.0848;-4.444,-1.8947,-.2579;-4.7874,-.557,-.3688;5.1608,1.2208,-.4617;.9448,-1.5244,-2.5327;3.0004,.9546,2.7395;1.2976,.8027,3.1486;.4618,2.8233,2.5702;2.1083,2.3995,-2.0505;-.1764,4.5021,.8945;.6257,4.2832,-1.4462;-.7377,-3.6263,.1342;1.823,-3.3198,1.0109;-1.8562,.8605,.5106;-2.9256,-3.2936,.2468;-4.1238,1.4786,-.1726;-5.1665,-2.6708,-.4708;5.3559,.8641,-1.4756;4.8888,2.2793,-.4939;6.0642,1.1096,.1363;1.4683,-1.4969,-3.4893;-.1105,-1.3232,-2.6982;1.0535,-2.5136,-2.0897; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-3630152/Gau-31501.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-3630152/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyraclostrobin/octanol #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,71=1,72=25,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=25/2 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=1,70=32205,71=1,72=25,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=25/2 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 pyraclostrobin CONF62 octanol 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 35 16 16 16 16 14 14 14 12 12 12 12 12 12 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 34.9688527 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 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 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 3 0 0 0 0 2 2 2 0 0 0 0 0 0 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 -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 -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 R42 R43 R44 R45 R46 R47 1 2 2 3 3 4 4 5 6 6 6 7 7 8 9 9 9 10 11 11 12 12 13 13 14 15 15 16 16 17 18 18 19 20 20 21 21 23 23 24 24 26 26 26 27 27 27 25 11 14 7 26 22 27 22 8 15 18 10 22 14 10 11 12 13 28 29 16 30 17 31 19 20 21 17 32 33 19 34 35 23 36 24 37 25 38 25 39 40 41 42 43 44 45 1.7319 1.417 1.3328 1.3672 1.4227 1.3272 1.425 1.2095 1.3453 1.4016 1.354 1.4154 1.3611 1.3082 1.3966 1.508 1.3917 1.3902 1.0908 1.0942 1.386 1.0837 1.3847 1.0826 1.4114 1.3919 1.3915 1.3871 1.0823 1.082 1.3669 1.0774 1.0773 1.3843 1.0809 1.3845 1.0815 1.3856 1.0817 1.3855 1.0815 1.0923 1.0934 1.0892 1.0908 1.087 1.0893 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A73 A74 A75 A76 11 7 22 8 8 15 3 3 10 6 10 10 11 7 7 9 2 2 2 9 9 28 9 9 16 10 10 17 2 2 8 6 6 20 12 12 17 13 13 16 6 6 19 14 14 18 15 15 23 15 15 24 4 4 5 20 20 25 21 21 25 1 1 23 3 3 3 40 40 41 4 4 4 43 43 44 2 3 4 6 6 6 7 7 7 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 14 26 27 15 18 18 10 22 22 14 11 12 12 9 13 13 9 28 29 28 29 29 16 30 30 17 31 31 8 19 19 20 21 21 17 32 32 16 33 33 19 34 34 18 35 35 23 36 36 24 37 37 5 7 7 25 38 38 25 39 39 23 24 24 40 41 42 41 42 42 43 44 45 44 45 45 117.8514 110.7997 117.1212 119.7322 111.7385 128.3141 115.9508 115.5558 126.703 104.8905 124.3426 117.915 117.7066 121.153 118.1667 120.6657 115.686 104.8125 109.9832 110.1542 108.7357 107.1128 121.5934 118.9708 119.4278 120.534 119.1622 120.3028 123.6422 123.9167 112.4311 119.7569 120.6065 119.6351 119.8716 119.7957 120.3306 119.4096 120.0147 120.572 107.3735 122.5802 130.0294 103.5618 128.384 128.0438 120.1502 120.4246 119.4227 120.203 121.2577 118.537 125.305 110.4862 124.2027 119.774 119.4742 120.7493 119.7195 119.5144 120.7626 119.7674 119.7226 120.51 111.7046 111.804 105.85 109.4618 109.1578 108.7384 111.2451 105.7381 112.1644 109.129 109.3655 109.0881 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 14 14 14 11 11 26 26 7 7 7 27 27 22 22 22 15 18 8 8 18 18 8 8 15 15 3 3 22 22 3 3 10 10 6 6 11 11 12 12 10 10 10 12 12 12 10 10 11 11 7 7 9 9 9 9 30 30 10 10 31 31 2 2 8 8 6 6 21 21 6 6 20 20 12 12 32 32 6 6 34 34 15 15 36 36 15 15 37 37 20 20 38 38 21 21 39 39 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 20 20 20 20 21 21 21 21 23 23 23 23 24 24 24 24 11 11 11 14 14 7 7 26 26 26 22 22 27 27 27 8 8 15 15 15 15 18 18 18 18 10 10 10 10 22 22 22 22 14 14 10 10 10 10 11 11 11 11 11 11 12 12 12 12 13 13 13 13 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 17 17 17 17 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 25 9 28 29 8 19 10 22 40 41 42 5 7 43 44 45 14 14 20 21 20 21 19 34 19 34 9 13 9 13 4 5 4 5 2 19 7 13 7 13 2 28 29 2 28 29 16 30 16 30 17 31 17 31 17 32 17 32 16 33 16 33 18 35 18 35 23 36 23 36 24 37 24 37 13 33 13 33 14 35 14 35 25 38 25 38 25 39 25 39 1 24 1 24 1 23 1 23 -61.2953 177.1937 62.3572 -0.5776 178.1854 -89.8725 104.3194 -61.5454 61.5114 179.7573 -3.3853 175.7379 -67.1585 174.4923 55.6979 -174.9369 0.1678 15.4632 -164.9913 -158.7387 20.8069 0.2745 -178.3671 174.8553 -3.7863 -58.6433 119.9762 105.3424 -76.0381 170.7525 -10.1126 6.7123 -174.1529 178.3423 -0.5472 0.0364 -178.5487 177.8036 -0.7815 -37.5725 81.0294 -161.8754 144.6561 -96.7421 20.3531 0.6257 179.5885 178.5434 -2.4938 -178.5754 1.0591 0.0511 179.6856 0.2666 179.7374 -178.6916 0.7792 0.8552 -179.8464 -178.7751 0.5233 -178.1767 0.7158 0.7092 179.6017 179.1354 -0.2807 -0.4145 -179.8306 -178.5194 2.0487 1.0267 -178.4052 -1.0098 179.6959 179.5223 0.228 -0.5608 -179.4585 177.9443 -0.9534 -0.3054 -179.7308 179.1165 -0.3088 -0.9133 179.763 178.5339 -0.7899 -179.6129 0.4222 -0.195 179.8401 -179.7779 0.187 -0.4628 179.5021 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 737 A 710 A 1133 737 2709.9237376629 45 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= 710 RedAO= T EigKep= 1.65D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 8.15D-07 NBFU= 706 Berny optimization. local minimum Step number 18 out of a maximum of 230 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00355 0.00397 0.00702 0.01342 0.01479 0.01526 0.01643 0.01784 0.01834 0.01941 0.02080 0.02141 0.02151 0.02201 0.02232 0.02241 0.02248 0.02248 0.02259 0.02268 0.02269 0.02273 0.02278 0.02284 0.02285 0.02287 0.02289 0.02303 0.02374 0.02428 0.02503 0.02679 0.02741 0.04223 0.04522 0.06444 0.07220 0.10155 0.10214 0.10383 0.10794 0.10832 0.12223 0.14542 0.15049 0.15791 0.15950 0.15986 0.15993 0.15996 0.15998 0.15999 0.16000 0.16002 0.16008 0.16010 0.16025 0.16035 0.16160 0.16483 0.21579 0.22005 0.22011 0.22628 0.22945 0.23219 0.23919 0.24112 0.24303 0.24565 0.24781 0.24940 0.24988 0.24999 0.25053 0.25134 0.25361 0.26212 0.27328 0.28809 0.31181 0.32243 0.33481 0.34365 0.34454 0.34605 0.34734 0.34784 0.34891 0.35020 0.35182 0.35561 0.35692 0.35729 0.35767 0.35798 0.35824 0.35847 0.35971 0.36321 0.36328 0.38769 0.41138 0.41427 0.41854 0.42665 0.43115 0.43238 0.43454 0.44356 0.45921 0.46683 0.47325 0.47473 0.47698 0.48017 0.48081 0.48131 0.48383 0.49918 0.51450 0.52494 0.54216 0.57767 0.59851 0.60819 0.63456 0.82924 1.01449 -6.36626369e-08 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 R42 R43 R44 R45 R46 R47 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 A73 A74 A75 A76 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 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 3.33929 2.72742 2.54685 2.64258 2.72396 2.53901 2.73026 2.30166 2.58733 2.67085 2.58010 2.70506 2.59405 2.49804 2.65068 2.85931 2.64059 2.63572 2.06009 2.06500 2.63229 2.05017 2.62960 2.04779 2.67763 2.64222 2.64102 2.63410 2.04919 2.04854 2.59699 2.03725 2.03589 2.62827 2.04435 2.62958 2.04610 2.62902 2.04622 2.62832 2.04596 2.06557 2.06720 2.06139 2.06306 2.05651 2.05870 2.06039 1.92339 2.02572 2.09295 1.94647 2.24082 2.01325 2.00640 2.19234 1.82226 2.15458 2.05761 2.07064 2.11590 2.05603 2.11123 2.01310 1.80573 1.90370 1.92539 1.91146 1.89975 2.11935 2.07508 2.08846 2.09911 2.07329 2.11078 2.15719 2.15940 1.96629 2.08720 2.10006 2.09591 2.09380 2.09050 2.09881 2.08513 2.09402 2.10401 1.87529 2.12465 2.28269 1.81442 2.22891 2.23938 2.09416 2.09135 2.09765 2.09462 2.10635 2.08209 2.18014 1.92914 2.17355 2.08289 2.09551 2.10473 2.08223 2.09588 2.10494 2.08407 2.08271 2.11640 1.92800 1.93176 1.83252 1.92893 1.92193 1.91860 1.92403 1.83277 1.92972 1.92611 1.92356 1.92596 -1.11529 3.06378 1.04378 0.03925 -3.13057 -1.66459 1.85006 -1.08331 1.05888 3.12836 -0.03305 3.08112 -1.14634 3.06228 0.98497 -3.06308 0.00278 0.41875 -2.72676 -2.63292 0.50475 0.00306 -3.10647 3.06088 -0.04865 -0.99934 2.13661 1.72371 -1.42353 2.92314 -0.24575 0.19867 -2.97022 3.10855 -0.00760 0.01222 -3.12355 3.12493 -0.01084 -0.74302 1.29454 -2.89800 2.42765 -1.81797 0.27267 0.00907 3.12462 3.12321 -0.04442 -3.13642 0.01034 -0.00046 -3.13689 0.00401 3.13351 -3.11134 0.01815 0.01376 -3.13661 -3.13312 -0.00030 -3.10664 0.00357 0.00948 3.11969 3.13397 -0.00016 -0.00371 -3.13785 -3.12092 0.03785 0.01674 -3.10768 -0.01550 3.13492 3.13825 0.00548 -0.00715 -3.11709 3.09843 -0.01152 -0.00944 -3.13940 3.12467 -0.00529 -0.01634 -3.14029 3.10832 -0.01563 -3.13567 0.00984 -0.00577 3.13973 -3.13460 0.00309 -0.01074 3.12694 -0.00001 0.00001 0.00001 0.00000 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00002 0.00002 0.00004 0.00002 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00002 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00003 -0.00001 -0.00001 -0.00002 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 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 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -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 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -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 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00007 0.00010 -0.00007 -0.00002 0.00007 0.00005 0.00003 -0.00003 0.00004 -0.00002 -0.00003 -0.00004 -0.00006 -0.00007 0.00005 -0.00003 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 0.00002 0.00000 0.00006 0.00001 0.00003 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00004 -0.00001 0.00003 0.00000 -0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00000 -0.00001 0.00001 -0.00002 0.00000 0.00004 0.00003 -0.00001 -0.00003 0.00004 -0.00009 0.00002 -0.00007 0.00003 -0.00007 0.00001 0.00005 0.00003 0.00002 -0.00005 -0.00007 -0.00001 -0.00004 0.00010 0.00004 -0.00003 0.00002 -0.00000 -0.00001 0.00004 0.00000 -0.00004 0.00007 -0.00006 -0.00001 0.00004 0.00003 -0.00007 -0.00001 0.00002 -0.00001 -0.00000 0.00002 -0.00002 0.00003 0.00003 -0.00006 -0.00002 -0.00002 0.00003 0.00004 -0.00000 -0.00004 0.00005 0.00001 -0.00006 -0.00005 0.00002 0.00003 -0.00000 -0.00003 0.00003 -0.00001 -0.00002 0.00003 0.00001 -0.00001 0.00000 -0.00004 -0.00004 0.00002 0.00004 -0.00000 0.00002 -0.00005 0.00000 -0.00003 0.00002 0.00008 -0.00002 -0.00009 -0.00017 -0.00011 0.00058 0.00046 -0.00026 0.00011 0.00015 0.00015 0.00016 0.00049 0.00044 -0.00091 -0.00090 -0.00087 -0.00001 0.00004 -0.00041 -0.00043 -0.00046 -0.00048 -0.00007 -0.00005 -0.00002 -0.00000 -0.00014 -0.00013 -0.00054 -0.00052 0.00012 0.00007 0.00054 0.00048 -0.00010 0.00001 0.00021 0.00019 0.00012 0.00010 -0.00029 -0.00028 -0.00022 -0.00020 -0.00019 -0.00014 -0.00004 -0.00001 -0.00012 -0.00009 -0.00010 -0.00006 -0.00008 -0.00005 -0.00004 0.00000 -0.00008 -0.00003 -0.00000 0.00003 -0.00004 -0.00001 0.00006 0.00008 -0.00005 -0.00003 -0.00003 -0.00001 -0.00001 0.00001 0.00002 0.00007 -0.00001 0.00004 0.00007 0.00003 0.00002 -0.00001 0.00007 0.00005 0.00005 0.00003 0.00002 0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00004 -0.00004 -0.00002 -0.00001 -0.00002 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00009 -0.00005 0.00005 0.00002 -0.00008 -0.00004 -0.00005 0.00001 -0.00003 0.00000 0.00004 0.00007 0.00012 0.00006 -0.00003 0.00001 -0.00001 -0.00003 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00001 -0.00002 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00003 0.00000 -0.00003 -0.00000 0.00003 0.00001 0.00002 0.00001 0.00002 0.00001 0.00001 0.00002 -0.00000 0.00002 0.00003 -0.00004 -0.00000 0.00002 0.00001 -0.00003 0.00007 -0.00005 -0.00003 -0.00001 0.00005 -0.00001 -0.00004 -0.00002 -0.00003 0.00004 0.00007 -0.00001 0.00003 -0.00012 -0.00000 0.00004 -0.00001 -0.00000 0.00002 -0.00003 0.00000 0.00003 -0.00003 0.00004 -0.00000 -0.00003 -0.00002 0.00005 0.00001 -0.00002 0.00002 0.00000 -0.00003 0.00003 -0.00002 -0.00000 0.00002 0.00002 0.00001 -0.00003 -0.00003 0.00002 0.00001 -0.00004 -0.00001 0.00005 0.00007 -0.00004 -0.00003 0.00002 0.00000 -0.00002 0.00002 0.00000 -0.00003 0.00000 0.00002 -0.00003 0.00004 0.00005 -0.00001 -0.00005 -0.00000 -0.00002 0.00003 0.00002 0.00007 -0.00003 -0.00009 0.00000 -0.00022 -0.00010 -0.00015 -0.00018 -0.00000 -0.00000 0.00002 -0.00014 -0.00015 -0.00015 -0.00016 -0.00017 -0.00009 -0.00008 -0.00013 -0.00017 -0.00004 0.00005 0.00005 -0.00010 -0.00010 0.00006 0.00006 0.00020 0.00020 -0.00001 -0.00001 -0.00004 -0.00004 -0.00007 -0.00007 -0.00007 -0.00007 0.00017 0.00001 -0.00009 -0.00010 -0.00007 -0.00008 0.00001 -0.00004 -0.00008 -0.00001 -0.00006 -0.00009 0.00001 -0.00000 0.00003 0.00001 0.00008 0.00005 0.00008 0.00005 0.00004 0.00000 0.00006 0.00002 -0.00003 -0.00005 0.00001 -0.00001 -0.00013 -0.00012 0.00003 0.00004 0.00002 -0.00003 0.00002 -0.00002 -0.00000 -0.00006 -0.00000 -0.00007 -0.00004 -0.00002 0.00001 0.00003 -0.00005 -0.00006 -0.00005 -0.00007 -0.00003 -0.00003 0.00002 0.00002 -0.00001 -0.00002 0.00005 0.00004 0.00004 0.00001 0.00004 0.00002 -0.00002 0.00000 -0.00001 0.00002 -0.00002 0.00005 -0.00003 0.00000 -0.00002 0.00001 -0.00002 -0.00002 0.00001 -0.00002 0.00001 0.00003 0.00005 -0.00001 0.00002 -0.00003 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00000 0.00002 0.00000 0.00004 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00003 -0.00000 0.00003 0.00001 -0.00002 0.00002 -0.00002 -0.00003 -0.00010 0.00002 -0.00002 0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00001 -0.00002 0.00004 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00003 -0.00002 -0.00001 0.00002 0.00001 -0.00002 -0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00003 -0.00004 -0.00000 -0.00001 0.00001 0.00001 0.00002 -0.00002 0.00001 0.00000 -0.00001 0.00002 -0.00002 0.00000 0.00002 -0.00003 0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00003 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00002 0.00002 0.00004 -0.00001 -0.00001 -0.00001 -0.00031 -0.00027 -0.00027 0.00040 0.00045 -0.00026 0.00013 0.00001 0.00001 0.00002 0.00032 0.00027 -0.00100 -0.00098 -0.00100 -0.00018 -0.00000 -0.00036 -0.00038 -0.00056 -0.00059 -0.00001 0.00001 0.00018 0.00020 -0.00016 -0.00014 -0.00058 -0.00056 0.00005 -0.00001 0.00046 0.00041 0.00007 0.00002 0.00012 0.00009 0.00005 0.00003 -0.00028 -0.00032 -0.00030 -0.00021 -0.00026 -0.00023 -0.00003 -0.00001 -0.00009 -0.00008 -0.00002 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00003 -0.00002 -0.00003 -0.00002 -0.00007 -0.00004 -0.00002 0.00001 -0.00001 -0.00004 0.00001 -0.00001 0.00002 0.00001 -0.00001 -0.00002 0.00003 0.00002 0.00003 0.00002 0.00002 -0.00002 0.00000 -0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00002 -0.00000 0.00001 0.00001 0.00002 0.00001 -0.00001 -0.00000 0.00000 0.00001 3.33927 2.72746 2.54682 2.64258 2.72394 2.53902 2.73023 2.30164 2.58735 2.67084 2.58011 2.70510 2.59411 2.49803 2.65069 2.85928 2.64058 2.63570 2.06009 2.06500 2.63231 2.05017 2.62962 2.04779 2.67767 2.64223 2.64103 2.63409 2.04919 2.04854 2.59698 2.03725 2.03589 2.62827 2.04435 2.62958 2.04610 2.62903 2.04622 2.62833 2.04596 2.06557 2.06720 2.06140 2.06307 2.05651 2.05869 2.06042 1.92338 2.02575 2.09296 1.94645 2.24083 2.01323 2.00637 2.19225 1.82228 2.15456 2.05761 2.07066 2.11591 2.05603 2.11123 2.01310 1.80571 1.90369 1.92537 1.91151 1.89977 2.11936 2.07508 2.08846 2.09911 2.07330 2.11076 2.15723 2.15938 1.96628 2.08722 2.10007 2.09589 2.09380 2.09050 2.09882 2.08513 2.09401 2.10402 1.87531 2.12468 2.28265 1.81442 2.22890 2.23938 2.09417 2.09137 2.09763 2.09463 2.10636 2.08207 2.18016 1.92912 2.17356 2.08291 2.09548 2.10474 2.08224 2.09587 2.10493 2.08408 2.08272 2.11638 1.92800 1.93176 1.83252 1.92892 1.92193 1.91860 1.92401 1.83279 1.92976 1.92610 1.92355 1.92594 -1.11560 3.06351 1.04352 0.03965 -3.13011 -1.66485 1.85019 -1.08330 1.05889 3.12838 -0.03273 3.08139 -1.14734 3.06129 0.98397 -3.06325 0.00277 0.41839 -2.72715 -2.63348 0.50417 0.00305 -3.10646 3.06106 -0.04845 -0.99949 2.13647 1.72313 -1.42409 2.92319 -0.24576 0.19914 -2.96981 3.10862 -0.00759 0.01233 -3.12346 3.12498 -0.01081 -0.74330 1.29422 -2.89830 2.42744 -1.81823 0.27244 0.00905 3.12461 3.12312 -0.04450 -3.13644 0.01032 -0.00046 -3.13688 0.00402 3.13351 -3.11136 0.01814 0.01373 -3.13663 -3.13315 -0.00032 -3.10671 0.00353 0.00946 3.11970 3.13396 -0.00020 -0.00370 -3.13786 -3.12090 0.03785 0.01673 -3.10770 -0.01547 3.13494 3.13828 0.00550 -0.00713 -3.11711 3.09843 -0.01156 -0.00945 -3.13941 3.12468 -0.00528 -0.01634 -3.14030 3.10833 -0.01563 -3.13565 0.00984 -0.00576 3.13974 -3.13461 0.00308 -0.01074 3.12695 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000041 0.000006 0.001739 0.000535 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.943091e-08 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 R42 R43 R44 R45 R46 R47 1 2 2 3 3 4 4 5 6 6 6 7 7 8 9 9 9 10 11 11 12 12 13 13 14 15 15 16 16 17 18 18 19 20 20 21 21 23 23 24 24 26 26 26 27 27 27 25 11 14 7 26 22 27 22 8 15 18 10 22 14 10 11 12 13 28 29 16 30 17 31 19 20 21 17 32 33 19 34 35 23 36 24 37 25 38 25 39 40 41 42 43 44 45 1.7671 1.4433 1.3477 1.3984 1.4415 1.3436 1.4448 1.218 1.3692 1.4134 1.3653 1.4315 1.3727 1.3219 1.4027 1.5131 1.3973 1.3948 1.0902 1.0927 1.3929 1.0849 1.3915 1.0836 1.4169 1.3982 1.3976 1.3939 1.0844 1.084 1.3743 1.0781 1.0773 1.3908 1.0818 1.3915 1.0827 1.3912 1.0828 1.3908 1.0827 1.0931 1.0939 1.0908 1.0917 1.0883 1.0894 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A73 A74 A75 A76 11 7 22 8 8 15 3 3 10 6 10 10 11 7 7 9 2 2 2 9 9 28 9 9 16 10 10 17 2 2 8 6 6 20 12 12 17 13 13 16 6 6 19 14 14 18 15 15 23 15 15 24 4 4 5 20 20 25 21 21 25 1 1 23 3 3 3 40 40 41 4 4 4 43 43 44 2 3 4 6 6 6 7 7 7 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 14 26 27 15 18 18 10 22 22 14 11 12 12 9 13 13 9 28 29 28 29 29 16 30 30 17 31 31 8 19 19 20 21 21 17 32 32 16 33 33 19 34 34 18 35 35 23 36 36 24 37 37 5 7 7 25 38 38 25 39 39 23 24 24 40 41 42 41 42 42 43 44 45 44 45 45 118.0515 110.202 116.0653 119.9171 111.5245 128.3893 115.3506 114.9584 125.6121 104.4077 123.4485 117.8923 118.6391 121.2324 117.8021 120.9648 115.3424 103.4607 109.0741 110.317 109.5188 108.8479 121.43 118.8933 119.6599 120.2699 118.7909 120.9386 123.5981 123.7244 112.6603 119.5879 120.3247 120.087 119.9661 119.7771 120.2532 119.4689 119.9785 120.5506 107.4464 121.7336 130.7884 103.9585 127.7072 128.3068 119.9865 119.8255 120.1867 120.0128 120.6852 119.2948 124.9129 110.5315 124.5355 119.3408 120.0637 120.5921 119.3029 120.0853 120.6039 119.4086 119.3302 121.2608 110.4663 110.6815 104.9956 110.5196 110.1186 109.9276 110.2388 105.0099 110.565 110.358 110.2121 110.3491 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 14 14 14 11 11 26 26 7 7 7 27 27 22 22 22 15 18 8 8 18 18 8 8 15 15 3 3 22 22 3 3 10 10 6 6 11 11 12 12 10 10 10 12 12 12 10 10 11 11 7 7 9 9 9 9 30 30 10 10 31 31 2 2 8 8 6 6 21 21 6 6 20 20 12 12 32 32 6 6 34 34 15 15 36 36 15 15 37 37 20 20 38 38 21 21 39 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 20 20 20 20 21 21 21 21 23 23 23 23 24 24 24 11 11 11 14 14 7 7 26 26 26 22 22 27 27 27 8 8 15 15 15 15 18 18 18 18 10 10 10 10 22 22 22 22 14 14 10 10 10 10 11 11 11 11 11 11 12 12 12 12 13 13 13 13 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 17 17 17 17 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 9 28 29 8 19 10 22 40 41 42 5 7 43 44 45 14 14 20 21 20 21 19 34 19 34 9 13 9 13 4 5 4 5 2 19 7 13 7 13 2 28 29 2 28 29 16 30 16 30 17 31 17 31 17 32 17 32 16 33 16 33 18 35 18 35 23 36 23 36 24 37 24 37 13 33 13 33 14 35 14 35 25 38 25 38 25 39 25 39 1 24 1 24 1 23 1 -63.9016 175.5414 59.8043 2.249 -179.3683 -95.3738 106.0005 -62.0691 60.6693 179.242 -1.8936 176.535 -65.6803 175.4556 56.4349 -175.5015 0.1592 23.9924 -156.232 -150.8554 28.9202 0.1753 -177.9876 175.3757 -2.7872 -57.2578 122.4187 98.7611 -81.5624 167.4837 -14.0805 11.3831 -170.1812 178.1068 -0.4355 0.6999 -178.9664 179.0453 -0.6209 -42.5719 74.1719 -166.0434 139.0942 -104.1619 15.6228 0.5198 179.0278 178.9469 -2.5451 -179.7038 0.5923 -0.0264 -179.7303 0.23 179.5369 -178.2667 1.0402 0.7881 -179.7146 -179.5144 -0.0172 -177.9971 0.2047 0.5431 178.7449 179.5635 -0.0093 -0.2126 -179.7855 -178.8155 2.1684 0.9589 -178.0572 -0.888 179.6177 179.8084 0.3142 -0.4094 -178.5964 177.5268 -0.6602 -0.5411 -179.8744 179.0302 -0.3031 -0.9363 -179.9253 178.0935 -0.8955 -179.6605 0.5636 -0.3308 179.8933 -179.5992 0.1769 -0.6156 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0542094162 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.3879,-.1196,-.8653;2.1306,-.6637,1.9566;4.1657,.439,.1885;1.4033,-.4926,-1.6632;3.4078,-1.5001,-1.4482;-.9181,-1.602,.7935;2.9764,.5115,-.482;-.1145,-.6725,1.3411;1.6484,1.6543,1.2295;2.105,1.5543,-.0866;2.0208,.6977,2.3341;.8313,2.7326,1.5555;1.7361,2.4978,-1.0386;1.0439,-1.2656,1.4737;-2.2234,-1.2574,.4164;.464,3.6772,.61;.9095,3.5551,-.6979;-.2661,-2.7708,.5885;1.0183,-2.6036,1.0254;-2.5789,.0837,.3044;-3.1658,-2.2442,.1435;2.651,-.5846,-1.2204;-3.8606,.4331,-.0848;-4.444,-1.8947,-.2579;-4.7874,-.557,-.3688;5.1608,1.2207,-.4617;.9448,-1.5244,-2.5327;3.0004,.9545,2.7395;1.2976,.8027,3.1486;.4618,2.8233,2.5702;2.1083,2.3995,-2.0505;-.1764,4.5021,.8945;.6257,4.2832,-1.4462;-.7377,-3.6263,.1342;1.823,-3.3198,1.0109;-1.8562,.8605,.5106;-2.9256,-3.2936,.2468;-4.1238,1.4786,-.1726;-5.1665,-2.6708,-.4708;5.3559,.8641,-1.4756;4.8888,2.2793,-.4939;6.0642,1.1096,.1364;1.4683,-1.4969,-3.4893;-.1105,-1.3232,-2.6982;1.0535,-2.5136,-2.0897; 0.000000 8.990240 0.000000 10.620845 2.912691 0.000000 7.840828 3.696111 3.453717 0.000000 9.909691 3.731361 2.648319 2.253777 0.000000 5.904869 3.395295 5.511582 3.557397 4.873314 0.000000 9.393440 2.836074 1.367219 2.208694 2.272902 4.611023 0.000000 6.673032 2.327985 4.569947 3.370753 4.568569 1.345254 3.778836 0.000000 8.492238 2.476780 2.982841 3.610723 4.496208 4.169051 2.449296 2.921367 0.000000 8.691229 3.015741 2.359298 2.677322 3.588998 4.458224 1.415399 3.452936 1.396591 0.000000 9.033853 1.417030 3.044894 4.216275 4.589115 4.037231 2.979726 2.724491 1.507997 2.569190 0.000000 8.130965 3.658461 4.271729 4.592329 5.794539 4.736047 3.699553 3.540509 1.391671 2.388943 2.482397 0.000000 8.537047 4.372872 3.412822 3.073016 4.352655 5.216319 2.406994 4.374757 2.421480 1.390191 3.833675 2.757413 0.000000 7.875042 1.332792 3.781992 3.250734 3.765727 2.103687 3.273814 1.308179 2.991832 3.392974 2.355620 4.004716 4.577591 0.000000 4.503427 4.656373 6.614432 4.249997 5.936822 1.401620 5.565475 2.375816 4.912269 5.185880 5.051027 5.152587 5.647709 3.434105 0.000000 7.971294 4.840942 4.936247 4.841247 6.301386 5.460241 4.186537 4.448486 2.424633 2.772169 3.778093 1.386021 2.393232 5.051133 5.622322 0.000000 8.172115 5.131800 4.593323 4.190420 5.688570 5.670941 3.685439 4.803949 2.805996 2.409557 4.311931 2.400003 1.384689 5.288933 5.849500 1.387059 0.000000 6.827846 3.472053 5.486674 3.612075 4.388619 1.353974 4.736361 2.234316 4.863896 4.978317 4.506290 5.694431 5.866354 2.182906 2.480100 6.489238 6.561474 0.000000 8.037237 2.422294 4.456968 3.439976 3.611946 2.192453 3.976266 2.261041 4.309156 4.439110 3.690008 5.365780 5.549780 1.411368 3.562521 6.318946 6.396182 1.366879 0.000000 3.989800 5.046520 6.754931 4.478933 6.435830 2.416326 5.626972 2.778386 4.603556 4.924797 5.064923 4.495702 5.123542 4.038839 1.391935 4.718693 5.022300 3.684774 4.547627 0.000000 3.989168 5.816977 7.807273 5.216236 6.804400 2.426300 6.761114 3.635234 6.289262 6.500972 6.352480 6.537531 6.921930 4.522038 1.391528 6.961075 7.137754 2.980600 4.291128 2.406107 0.000000 9.057837 3.220285 2.308115 1.327165 1.209466 4.222500 1.361087 3.770553 3.466991 2.481673 3.830951 4.692659 3.220443 3.210137 5.185691 5.128055 4.521401 4.069485 3.433055 5.488427 6.200803 0.000000 2.702248 6.423744 8.030971 5.572846 7.643671 3.683859 6.849015 4.157920 5.793792 6.069993 6.364863 5.476501 6.041199 5.419261 2.406135 5.450623 5.733773 4.861956 5.852997 1.384329 2.775357 6.687753 0.000000 2.701626 7.045838 8.931524 6.175018 7.951267 3.690844 7.803986 4.774349 7.205882 7.403574 7.431775 7.247642 7.622119 5.788838 2.406587 7.475782 7.651957 4.351870 5.655580 2.776425 1.384521 7.278805 2.405969 0.000000 1.731936 7.299106 9.025556 6.324866 8.319601 4.172983 7.837816 4.977187 6.990260 7.213961 7.431718 6.789213 7.234386 6.156344 2.771498 6.816398 7.033577 5.124414 6.311758 2.396051 2.395536 7.487017 1.385551 1.385529 0.000000 11.633225 4.310607 1.422684 4.300933 3.383657 6.818845 2.296681 5.887546 3.922348 3.096777 4.236761 5.009931 3.700247 5.184280 7.838259 5.407663 4.855761 6.818047 5.830751 7.860131 9.039054 3.183384 9.063523 10.099415 10.106164 0.000000 7.649945 4.722309 4.651309 1.425042 2.691350 3.813076 3.532382 4.105337 4.975270 4.099736 5.457203 5.903233 4.363078 4.015978 4.336513 6.096294 5.400829 3.572301 3.718881 4.801083 4.957518 2.348717 5.737172 5.860879 6.202882 5.440538 0.000000 10.113777 1.997064 2.851551 4.901947 4.871150 5.067311 3.251952 3.782230 2.144185 3.024598 1.090837 3.044406 4.272500 3.218540 6.130022 4.287296 4.790617 5.401309 4.418969 6.149469 7.415722 4.262866 7.437819 8.515877 8.520255 3.871202 6.177905 0.000000 8.719526 2.065200 4.137659 4.984245 5.557517 4.029731 4.010575 2.727149 2.128701 3.418059 1.094213 2.545658 4.538587 2.673434 4.909842 3.924614 4.745709 4.665671 4.023520 4.861472 6.183557 4.779582 6.099080 7.200393 7.158759 5.304069 6.149519 1.757747 0.000000 8.208674 3.914205 5.007642 5.459298 6.596874 4.964318 4.580870 3.750122 2.138275 3.371791 2.646622 1.083722 3.841063 4.273217 5.338693 2.138109 3.378781 5.979184 5.669908 4.678171 6.687908 5.547572 5.607602 7.370470 6.900546 5.817342 6.721264 3.156793 2.261922 0.000000 8.940747 5.043880 3.617984 3.001923 4.154374 5.767137 2.603559 5.087349 3.394901 2.138109 4.704169 3.839923 1.082631 5.194860 6.182452 3.378598 2.145289 6.271695 5.973365 5.733952 7.361697 3.144629 6.584741 8.036535 7.688934 3.637477 4.121113 5.082134 5.498922 4.923608 0.000000 7.939825 5.756345 5.988351 5.829595 7.372980 6.149810 5.268761 5.194145 3.398788 3.854383 4.623144 2.140828 3.378132 5.923733 6.131149 1.082271 2.147416 7.279831 7.206618 5.063858 7.417086 6.192028 5.575787 7.775528 6.960696 6.410253 7.022882 5.106906 4.575956 2.456310 4.279439 0.000000 8.301392 6.190000 5.475612 4.843617 6.417772 6.483475 4.547747 5.733745 3.888009 3.388808 5.393848 3.384774 2.141750 6.284155 6.502731 2.149752 1.082030 7.395563 7.327484 5.565052 7.714278 5.277220 6.066600 8.079587 7.340944 5.560148 5.917016 5.851452 5.803297 4.276655 2.472223 2.483940 0.000000 6.724677 4.508331 6.369712 4.199315 4.920295 2.136615 5.594248 3.251180 5.897307 5.913363 5.580815 6.702081 6.708178 3.246744 2.810440 7.417023 7.414687 1.077414 2.218917 4.145224 2.793982 4.750759 5.126328 4.109609 5.106270 7.657715 3.789515 6.461029 5.731065 6.997914 7.013063 8.183147 8.180293 0.000000 9.010015 2.836099 4.504816 3.914087 3.445266 3.242202 4.270580 3.297153 4.981949 5.004051 4.234350 6.157240 6.168648 2.245177 4.580372 7.139030 7.142686 2.200899 1.077320 5.608820 5.176638 3.625669 6.898371 6.550985 7.296134 5.824588 4.068369 4.758569 4.673337 6.482427 6.493394 8.074170 8.079409 2.723900 0.000000 4.836359 4.506535 6.045259 4.144982 6.092579 2.650296 4.945884 2.464398 3.664609 4.065555 4.287503 3.437887 4.240947 3.722724 2.151640 3.650610 4.045969 3.964981 4.530812 1.080876 3.389582 5.039824 2.134188 3.857229 3.372587 7.093183 4.774402 5.344442 4.112074 3.669816 4.964406 4.028657 4.658717 4.639476 5.591232 0.000000 4.826912 5.950172 8.013916 5.498458 6.797169 2.681459 7.060033 3.996234 6.809505 6.994271 6.689803 7.220968 7.544834 4.623292 2.160533 7.759774 7.906001 2.731881 4.078771 3.395538 1.081534 6.371008 3.856500 2.125397 3.366691 9.288207 5.082842 7.705654 6.560135 7.368133 7.939143 8.291612 8.537374 2.215932 4.809721 4.297710 0.000000 2.856692 6.945476 8.362215 6.054410 8.199056 4.549627 7.172448 4.794998 5.942618 6.229765 6.681946 5.395469 6.010587 6.078270 3.382919 5.147220 5.470020 5.789481 6.673847 2.135409 3.857025 7.159059 1.081690 3.389496 2.149968 9.292611 6.346494 7.714121 6.393628 5.509827 6.573712 5.085480 5.660855 6.133491 7.732313 2.447539 4.938179 0.000000 2.855857 7.947835 9.858810 7.023403 8.708870 4.559514 8.742682 5.727004 8.248678 8.418604 8.418476 8.323222 8.641920 6.657675 3.383279 8.553822 8.702311 5.014626 6.363550 3.857946 2.135894 8.125710 3.389445 1.081549 2.149969 11.036150 6.550790 9.494555 8.182294 8.432701 9.007020 8.843955 9.102690 4.570952 7.174235 4.938768 2.434066 4.288768 0.000000 11.800792 4.951461 2.089653 4.183252 3.063622 7.112994 2.602603 6.341996 4.656995 3.602031 5.066083 5.757710 3.995344 5.641654 8.094873 6.016194 5.255201 7.005721 6.090631 8.169356 9.214334 3.079088 9.330841 10.253384 10.302016 1.092331 5.126514 4.829503 6.152796 6.645285 3.637993 7.032651 5.836664 7.738701 6.014124 7.480654 9.425365 9.588546 11.145719 0.000000 11.535050 4.719511 2.091662 4.604304 4.169875 7.102274 2.604294 6.092073 3.723008 2.905403 4.327245 4.568267 3.206845 5.587597 7.995016 4.769912 4.183827 7.297072 6.413425 7.824570 9.259875 3.706410 8.951410 10.226337 10.084067 1.093376 5.846370 3.971925 5.323990 5.411420 3.188826 5.703015 4.805948 8.180925 6.558434 6.965424 9.626559 9.053768 11.207708 1.784518 0.000000 12.552701 4.683091 2.014124 5.246916 4.046991 7.519187 3.205387 6.542491 4.581576 3.990385 4.620552 5.659648 4.694664 5.712630 8.623563 6.178955 5.766060 7.438714 6.327735 8.705373 9.820492 4.044923 9.950295 10.936315 10.990439 1.089154 6.345924 4.023399 5.646964 6.344105 4.700566 7.143391 6.492613 8.288234 6.194562 7.933176 10.010868 10.199331 11.865462 1.777724 1.773935 0.000000 8.396526 5.548878 4.954836 2.084999 2.815667 4.903858 3.918127 5.149489 5.677094 4.614488 6.247669 6.613935 4.694130 4.986492 5.379578 6.677163 5.798853 4.610759 4.670095 5.767922 5.935526 2.716405 6.611497 6.749398 7.053654 5.494202 1.090833 6.866921 7.026984 7.509639 4.202587 7.609854 6.188227 4.746549 4.868314 5.710401 6.040914 7.150165 7.383033 4.974281 5.910309 6.407965 0.000000 6.649355 5.208099 5.452044 2.013086 3.737977 3.594681 4.219793 4.091359 5.233172 4.473105 5.826698 5.952331 4.556746 4.329089 3.764210 6.023164 5.370199 3.594762 4.096228 4.133672 4.273015 3.217954 4.896670 5.006045 5.280760 6.265758 1.086960 6.665893 6.378648 6.728825 4.381908 6.844366 5.791490 3.704050 4.634913 4.255882 4.525549 5.507717 5.686858 6.013418 6.544435 7.216682 1.774399 0.000000 7.912371 4.577589 4.857354 2.094856 2.642190 3.609881 3.928495 4.065020 5.361181 4.654620 5.551380 6.392132 5.165686 3.775671 4.312391 6.779544 6.227875 2.996747 3.116631 5.066705 4.781532 2.651103 6.070512 5.827620 6.395806 5.784868 1.089252 6.256133 6.204583 7.109672 5.025185 7.722525 6.840599 3.064671 3.294835 5.158775 4.679897 6.813025 6.429195 5.504239 6.342480 6.571893 1.778870 1.772660 0.000000 C19H18ClN3O4 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 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.3364,1.0348,.7143;-2.0423,-.8815,-1.9221;-4.1761,-.2819,-.0323;-1.2237,-.806,1.6814;-3.0195,-2.1478,1.449;1.167,-1.3168,-.9029;-2.9954,-.035,.6114;.1887,-.5177,-1.3655;-1.9606,1.4358,-1.0515;-2.3422,1.1722,.2659;-2.1946,.4979,-2.2088;-1.3647,2.6636,-1.3239;-2.1149,2.1061,1.2703;-.8474,-1.3033,-1.5089;2.4015,-.7635,-.5363;-1.1393,3.5987,-.3259;-1.5064,3.3159,.9814;.7452,-2.5956,-.7615;-.5636,-2.6393,-1.1534;2.5125,.6104,-.3423;3.5164,-1.5763,-.3551;-2.4498,-1.0969,1.265;3.7235,1.1634,.0372;4.7243,-1.0245,.0368;4.824,.3439,.2297;-5.2712,.2626,.6945;-.5541,-1.7886,2.4668;-3.2189,.596,-2.5709;-1.5332,.7839,-3.0323;-1.0557,2.8833,-2.3391;-2.4253,1.8786,2.2822;-.6698,4.5428,-.5697;-1.3313,4.0356,1.7702;1.3803,-3.3771,-.3784;-1.2244,-3.4901,-1.1674;1.6541,1.2533,-.4769;3.4662,-2.6434,-.5234;3.7963,2.2319,.1892;5.5827,-1.6671,.1781;-5.3608,-.1861,1.6864;-5.1941,1.3489,.7917;-6.1613,.0256,.1133;-1.038,-1.917,3.436;.4528,-1.4085,2.619;-.4986,-2.7514,1.9605; 0.3185598 0.1121095 0.1007000 -101.55887 -19.17982 -19.17252 -19.16418 -19.10835 -14.40183 -14.39704 -14.32757 -10.32980 -10.25354 -10.23655 -10.23166 -10.23143 -10.22209 -10.21779 -10.21153 -10.21151 -10.19417 -10.18976 -10.18859 -10.18820 -10.18430 -10.18130 -10.17890 -10.17809 -10.17757 -10.16782 -9.47410 -7.23844 -7.22900 -7.22865 -1.14715 -1.10827 -1.10222 -1.06458 -1.03072 -0.91453 -0.90848 -0.87677 -0.86178 -0.82795 -0.80434 -0.78580 -0.76807 -0.76326 -0.73863 -0.73493 -0.70471 -0.68229 -0.64972 -0.64718 -0.62929 -0.61441 -0.60247 -0.58804 -0.57280 -0.56174 -0.55614 -0.53957 -0.52534 -0.51271 -0.50005 -0.49551 -0.48960 -0.48156 -0.47826 -0.47581 -0.46570 -0.45941 -0.45744 -0.45228 -0.44960 -0.43898 -0.43757 -0.43467 -0.43137 -0.41319 -0.40902 -0.40651 -0.39395 -0.39079 -0.38618 -0.37710 -0.36952 -0.36862 -0.36276 -0.35726 -0.34909 -0.33720 -0.32297 -0.31621 -0.31046 -0.30587 -0.30186 -0.28176 -0.27535 -0.27410 -0.26357 -0.25793 -0.24641 -0.21878 -0.03890 -0.03171 -0.02820 -0.02118 0.00148 0.01128 0.01326 0.01542 0.01750 0.02064 0.02524 0.03133 0.03495 0.03606 0.03626 0.04062 0.04199 0.05080 0.05167 0.05545 0.05603 0.05976 0.06267 0.06636 0.06781 0.07088 0.07522 0.07829 0.08097 0.08517 0.09179 0.09456 0.09723 0.09935 0.10356 0.10648 0.10889 0.11083 0.11417 0.11561 0.11935 0.12488 0.12526 0.12851 0.13060 0.13635 0.13827 0.14014 0.14182 0.14634 0.14851 0.15117 0.15243 0.15533 0.15832 0.16115 0.16368 0.16594 0.17072 0.17400 0.17504 0.17655 0.17976 0.18116 0.18406 0.18890 0.18973 0.19184 0.19224 0.19581 0.19918 0.20075 0.20414 0.20558 0.20638 0.20738 0.21377 0.21449 0.21786 0.22041 0.22099 0.22392 0.22627 0.22803 0.23115 0.23305 0.23501 0.23574 0.23871 0.24201 0.24598 0.25035 0.25098 0.25414 0.25777 0.26105 0.26376 0.26471 0.26853 0.26972 0.27391 0.27843 0.28103 0.28410 0.28565 0.28909 0.29323 0.29653 0.30011 0.30261 0.30488 0.30863 0.31090 0.31792 0.31991 0.32107 0.32397 0.32725 0.33079 0.33149 0.33679 0.33988 0.34098 0.34745 0.35244 0.35290 0.35596 0.35850 0.36222 0.36303 0.37247 0.37637 0.38044 0.38312 0.38801 0.39129 0.39592 0.39766 0.39912 0.40730 0.41338 0.41959 0.42433 0.43302 0.43795 0.44098 0.44319 0.45471 0.45856 0.46101 0.46203 0.47288 0.47650 0.48294 0.49438 0.49530 0.50657 0.50865 0.51138 0.51650 0.52131 0.52656 0.53522 0.53903 0.54595 0.54691 0.55367 0.55949 0.56072 0.56678 0.57039 0.57728 0.58226 0.58455 0.59348 0.59684 0.60127 0.60633 0.61335 0.61815 0.62132 0.63069 0.63410 0.63547 0.64085 0.64684 0.65096 0.66126 0.66679 0.67001 0.68295 0.68353 0.68944 0.69162 0.69850 0.69938 0.70449 0.70595 0.70871 0.71189 0.72070 0.72748 0.72943 0.73080 0.73700 0.74153 0.74619 0.74988 0.75856 0.76032 0.76395 0.77054 0.77876 0.77909 0.78406 0.78906 0.79419 0.79790 0.79977 0.81231 0.81802 0.82911 0.83672 0.83974 0.84316 0.85106 0.85306 0.85743 0.86357 0.86386 0.86813 0.87075 0.87116 0.88380 0.89353 0.90195 0.90730 0.91154 0.91700 0.92644 0.92729 0.93367 0.93572 0.94549 0.94908 0.95832 0.96598 0.97218 0.98051 0.98606 0.99466 1.00030 1.01170 1.01731 1.02199 1.02889 1.03169 1.04083 1.05572 1.06120 1.06318 1.07527 1.07986 1.08731 1.09035 1.09364 1.10364 1.10991 1.11514 1.12161 1.12405 1.13018 1.14041 1.14459 1.15381 1.15924 1.16503 1.17141 1.19066 1.19758 1.20637 1.21084 1.21877 1.22775 1.23113 1.24852 1.24981 1.27608 1.28362 1.29576 1.30477 1.31202 1.32031 1.32585 1.33697 1.34143 1.35895 1.36840 1.37827 1.38651 1.39858 1.40778 1.42234 1.43154 1.44902 1.45253 1.45619 1.46473 1.47950 1.48671 1.49212 1.50229 1.52088 1.52407 1.53018 1.53587 1.54066 1.54651 1.55692 1.55976 1.57219 1.57914 1.58105 1.58378 1.59331 1.59579 1.59936 1.60703 1.61060 1.61642 1.62393 1.62866 1.64110 1.64759 1.65828 1.66223 1.67443 1.67806 1.69212 1.70097 1.70295 1.71170 1.71650 1.72235 1.74050 1.74344 1.75484 1.76423 1.77205 1.77547 1.77945 1.78442 1.78558 1.79807 1.80972 1.81624 1.81963 1.82961 1.83517 1.84150 1.85158 1.85939 1.87425 1.88375 1.89133 1.90229 1.90871 1.91328 1.92578 1.92771 1.93286 1.93467 1.93942 1.95551 1.95858 1.96528 1.96757 1.97587 1.98094 1.99147 1.99626 2.00172 2.01632 2.01832 2.03503 2.04192 2.04813 2.06598 2.07338 2.07442 2.08395 2.09360 2.09691 2.10662 2.11704 2.12617 2.14145 2.14348 2.15386 2.17255 2.18388 2.18566 2.20053 2.21180 2.21856 2.24091 2.26155 2.26688 2.27574 2.28260 2.29058 2.29540 2.30764 2.33056 2.37215 2.39839 2.40186 2.40929 2.42588 2.43247 2.44203 2.44663 2.45762 2.47202 2.47887 2.49434 2.50402 2.51682 2.52786 2.53042 2.53597 2.54727 2.55299 2.56405 2.58090 2.58656 2.59615 2.61265 2.61590 2.62439 2.64384 2.65876 2.67003 2.67429 2.68213 2.68401 2.69253 2.69612 2.70678 2.71534 2.72459 2.72944 2.73564 2.74622 2.76253 2.77203 2.77544 2.77796 2.78521 2.79101 2.79915 2.80332 2.80992 2.81462 2.82525 2.84361 2.85071 2.85395 2.85544 2.86558 2.87157 2.88925 2.89652 2.90042 2.90852 2.91449 2.92725 2.92991 2.93302 2.93808 2.95385 2.95542 2.97090 2.97236 3.00139 3.02012 3.03577 3.05080 3.06232 3.08203 3.08797 3.09599 3.10624 3.11370 3.14611 3.15602 3.16465 3.19301 3.19910 3.20995 3.21555 3.23610 3.24887 3.25490 3.26609 3.28109 3.32092 3.35034 3.36460 3.37408 3.39089 3.40768 3.42263 3.43468 3.44694 3.46488 3.48400 3.50455 3.52757 3.56311 3.58144 3.58520 3.59273 3.61530 3.64162 3.65538 3.74921 3.75962 3.79001 3.80443 3.81123 3.82552 3.83156 3.86593 3.90821 3.91400 3.93050 3.97736 3.99465 4.00814 4.04715 4.06159 4.06980 4.09214 4.11027 4.12181 4.13871 4.15184 4.17904 4.18279 4.20219 4.20832 4.26460 4.32906 4.38874 4.60008 4.69208 4.85723 4.86648 4.96132 5.14120 5.15152 5.15368 5.18376 5.19814 5.25568 5.42735 5.45004 5.50034 5.53543 5.68887 5.88701 5.90215 5.92680 9.78629 23.57616 23.66057 23.83043 23.88794 23.91637 23.93661 23.94005 23.96683 23.98014 23.98380 24.00688 24.01919 24.05912 24.10185 24.11775 24.12003 24.19834 24.21661 24.22217 25.83195 26.13626 26.60487 35.58116 35.58762 35.66911 49.93281 49.95724 50.00426 50.06503 215.77778 1-A. 0.8764 2.3434 1.0209 2.7022 -173.0442 -148.9879 -158.2675 -27.5156 -0.4050 -0.6541 -12.9444 11.1120 1.8324 -27.5156 -0.4050 -0.6541 -164.1313 -0.0027 24.2635 54.5357 4.5083 -2.4123 -33.8680 15.4105 -2.5282 -15.2593 -10023.8467 -2728.1090 -1479.6931 -396.8641 -82.5751 -45.0824 38.7708 14.2592 -64.9032 -2212.7491 -1956.6058 -743.3156 53.3854 32.0804 -35.1419 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.6058,-.1389,-.6049;2.1377,-.7393,1.7827;4.2852,.5552,.2095;1.543,-.4184,-1.73;3.5726,-1.4065,-1.4728;-1.0079,-1.6449,.7438;3.1107,.6402,-.5447;-.1589,-.71,1.2728;1.6665,1.6417,1.1903;2.1778,1.6376,-.1159;2.0574,.6266,2.242;.7756,2.6596,1.5403;1.7974,2.612,-1.0385;1.0074,-1.3281,1.3445;-2.3414,-1.292,.4358;.3932,3.637,.6245;.8981,3.6096,-.6745;-.3647,-2.824,.4986;.9461,-2.6653,.8799;-2.6612,.0459,.1853;-3.3352,-2.2728,.3765;2.8011,-.4876,-1.2635;-3.969,.4012,-.1276;-4.6411,-1.9216,.0485;-4.9455,-.5872,-.1986;5.3314,1.3298,-.4096;1.117,-1.5127,-2.5718;3.0634,.8304,2.6093;1.3579,.6811,3.0798;.3578,2.6693,2.5415;2.2107,2.5727,-2.0394;-.3059,4.4105,.9227;.6022,4.3619,-1.3967;-.8713,-3.664,.0515;1.7518,-3.3774,.8134;-1.8879,.8012,.2289;-3.1048,-3.3071,.5993;-4.2176,1.4367,-.3237;-5.4122,-2.6803,.0035;5.5619,.9359,-1.4028;5.0464,2.3841,-.4719;6.1939,1.2161,.2486;1.6889,-1.5187,-3.5017;.0656,-1.319,-2.7752;1.2335,-2.4631,-2.0521; 0.000000 9.083483 0.000000 10.943428 2.960123 0.000000 8.230826 3.577093 3.497067 0.000000 10.293708 3.619712 2.680719 2.271986 0.000000 5.951703 3.434333 5.757044 3.759156 5.094308 0.000000 9.747856 2.875121 1.398394 2.232328 2.294242 4.883151 0.000000 6.738945 2.352775 4.741508 3.463845 4.684861 1.369158 3.977045 0.000000 8.650074 2.498391 2.999957 3.575912 4.473974 4.260717 2.469571 2.978196 0.000000 8.974728 3.042341 2.391379 2.689867 3.612919 4.654326 1.431458 3.591665 1.402677 0.000000 9.151049 1.443287 3.016505 4.139293 4.497702 4.098884 2.979182 2.763748 1.513082 2.568378 0.000000 8.180345 3.669708 4.303145 4.556139 5.782372 4.726994 3.725376 3.507071 1.397340 2.398729 2.503736 0.000000 8.852605 4.393875 3.460811 3.118733 4.414591 5.400734 2.420099 4.495019 2.434346 1.394761 3.843360 2.774295 0.000000 7.948226 1.347734 3.947056 3.250670 3.811018 2.126667 3.444866 1.321907 3.045938 3.506835 2.393523 3.999245 4.671959 0.000000 4.538436 4.709810 6.882981 4.532339 6.215435 1.413355 5.866864 2.408821 5.023859 5.413851 5.127697 5.152770 5.877438 3.470080 0.000000 8.047034 4.851473 4.981686 4.828264 6.320147 5.465924 4.211038 4.429680 2.433685 2.780385 3.801147 1.392950 2.405772 5.054496 5.639947 0.000000 8.388388 5.146573 4.645748 4.213683 5.740353 5.766702 3.705396 4.854756 2.817885 2.416270 4.329945 2.413074 1.391525 5.335652 5.979393 1.393904 0.000000 6.883216 3.500981 5.755365 3.793772 4.625836 1.365329 5.016701 2.260629 4.954422 5.171794 4.562083 5.696967 6.048758 2.199039 2.501675 6.506529 6.660502 0.000000 8.100467 2.438155 4.687358 3.495228 3.744196 2.208583 4.200184 2.280006 4.377838 4.585175 3.731898 5.368438 5.679383 1.416942 3.590358 6.331687 6.464775 1.374270 0.000000 4.027193 5.118371 6.965088 4.643178 6.612067 2.429819 5.848152 2.831125 4.720750 5.102918 5.180018 4.525379 5.287861 4.085335 1.398201 4.734808 5.109615 3.688956 4.565677 0.000000 4.026578 5.855094 8.129990 5.627896 7.203414 2.438316 7.133317 3.651613 6.403345 6.776942 6.400565 6.525502 7.225482 4.548365 1.397568 6.992066 7.323193 3.023703 4.328599 2.422267 0.000000 9.436356 3.127749 2.336629 1.343587 1.217986 4.458437 1.372714 3.904374 3.441216 2.494356 3.752781 4.676450 3.265815 3.275007 5.475400 5.135624 4.555787 4.311175 3.574664 5.676295 6.597832 0.000000 2.733561 6.499331 8.262481 5.798378 7.871037 3.703176 7.095971 4.208561 5.918951 6.269854 6.479423 5.512980 6.242445 5.470038 2.415201 5.483119 5.855057 4.876967 5.880130 1.390820 2.793954 6.921998 0.000000 2.732182 7.096328 9.264971 6.607988 8.369306 3.709436 8.185666 4.801724 7.333941 7.693630 7.495009 7.249396 7.949168 5.825570 2.415575 7.521598 7.861318 4.393713 5.697436 2.794610 1.391516 7.691828 2.424501 0.000000 1.767075 7.356663 9.310055 6.668857 8.651769 4.184643 8.156479 5.009095 7.114433 7.463039 7.514689 6.804122 7.510399 6.194086 2.771361 6.857316 7.210212 5.145218 6.339731 2.401276 2.401091 7.820058 1.391220 1.390849 0.000000 12.028816 4.391680 1.441457 4.376314 3.422130 7.096964 2.329267 6.093887 4.011034 3.182234 4.271387 5.130938 3.811734 5.370153 8.152354 5.547853 4.992198 7.108058 6.070851 8.116921 9.418481 3.230264 9.350895 10.499190 10.456296 0.000000 8.086848 4.538848 4.695668 1.444789 2.692437 3.940275 3.566314 4.129477 4.940103 4.132862 5.351021 5.868045 4.452747 3.922123 4.588490 6.104022 5.466764 3.652681 3.643072 4.930027 5.393737 2.366125 5.958517 6.339436 6.575842 5.524148 0.000000 10.235406 2.001007 2.706977 4.764559 4.682598 5.116934 3.160134 3.813494 2.150188 2.977087 1.090155 3.118188 4.252514 3.238207 6.200065 4.352805 4.816238 5.437021 4.437758 6.265960 7.453691 4.099373 7.558360 8.572671 8.604427 3.808849 6.010168 0.000000 8.813043 2.075567 4.101629 4.937339 5.476221 4.057633 4.026284 2.738874 2.142053 3.435078 1.092750 2.573676 4.569695 2.677850 4.956719 3.961947 4.783568 4.681378 4.025821 4.993485 6.169178 4.723656 6.224244 7.207720 7.217305 5.327794 6.067176 1.775453 0.000000 8.141114 3.919445 5.033060 5.402268 6.562138 4.869229 4.606564 3.646444 2.143493 3.382106 2.674088 1.084904 3.859046 4.222995 5.235643 2.147785 3.393968 5.905208 5.618240 4.642037 6.538370 5.514857 5.566815 7.230559 6.799862 5.936328 6.649119 3.272028 2.289726 0.000000 9.334965 5.058003 3.664914 3.080362 4.243832 5.991225 2.603654 5.230925 3.404990 2.139038 4.705525 3.857714 1.083643 5.302397 6.464093 3.395943 2.158962 6.496080 6.128560 5.921979 7.750727 3.211856 6.823431 8.456114 8.036446 3.733674 4.262649 5.037273 5.523795 4.942457 0.000000 7.919575 5.764618 6.037335 5.811493 7.390422 6.098603 5.295417 5.134588 3.410011 3.864722 4.652262 2.148604 3.391799 5.902019 6.074464 1.084383 2.154515 7.247147 7.185828 5.014093 7.358141 6.198682 5.531353 7.723617 6.910870 6.560847 7.022793 5.197491 4.618434 2.468409 4.299382 0.000000 8.534584 6.203927 5.534938 4.883444 6.488768 6.576962 4.568382 5.781883 3.901912 3.397777 5.413941 3.399122 2.149182 6.328870 6.632453 2.157371 1.084042 7.494299 7.394824 5.637410 7.916276 5.326408 6.180075 8.310432 7.530285 5.703883 6.013057 5.880298 5.844566 4.293544 2.490333 2.491265 0.000000 6.763232 4.539310 6.664574 4.419980 5.212338 2.138859 5.893874 3.274896 5.990623 6.118151 5.637836 6.702031 6.906400 3.264635 2.816958 7.431841 7.520875 1.078066 2.233058 4.121284 2.848143 5.030461 5.114043 4.152993 5.111594 7.976497 3.932277 6.497993 5.746292 6.915315 7.264132 8.141027 8.287577 0.000000 9.074594 2.836883 4.716788 3.907396 3.525120 3.259203 4.453268 3.313094 5.033883 5.118086 4.262167 6.158462 6.269312 2.244046 4.609305 7.147235 7.194473 2.210162 1.077347 5.620296 5.223854 3.710192 6.920266 6.601031 7.325503 6.038760 3.916533 4.759269 4.665033 6.441375 6.614593 8.055840 8.130359 2.746524 0.000000 4.882340 4.581820 6.178037 4.134685 6.130829 2.650083 5.060675 2.522468 3.776848 4.165109 4.432702 3.502549 4.297274 3.763125 2.151726 3.660862 4.057748 3.941438 4.524583 1.081823 3.400901 5.086735 2.148912 3.876375 3.385118 7.266769 4.714534 5.493895 4.321771 3.725798 5.008215 4.001424 4.639156 4.582893 5.572202 0.000000 4.872780 5.956344 8.347549 5.947424 7.245285 2.679637 7.451309 3.984496 6.899618 7.270952 6.694831 7.179434 7.858071 4.624037 2.161016 7.775411 8.092376 2.784203 4.110973 3.407420 1.082749 6.804368 3.876375 2.140815 3.379737 9.679279 5.576642 7.694498 6.478738 7.174869 8.354021 8.215805 8.748662 2.327245 4.861840 4.300675 0.000000 2.874862 7.040023 8.564990 6.213161 8.372087 4.575775 7.374780 4.861056 6.079233 6.401903 6.827533 5.468294 6.170276 6.142253 3.397434 5.196181 5.569162 5.802971 6.703611 2.148434 3.876766 7.338126 1.082815 3.405270 2.154367 9.550029 6.496931 7.872960 6.575831 5.537495 6.749636 5.069431 5.739224 6.111899 7.752530 2.477236 4.959154 0.000000 2.872879 7.995881 10.224981 7.516323 9.193952 4.584471 9.163264 5.752347 8.378290 8.733017 8.470035 8.316551 9.003988 6.696077 3.397625 8.602131 8.935471 5.073752 6.418370 3.877255 2.149173 8.594829 3.405243 1.082675 2.154040 11.475038 7.115116 9.536805 8.160695 8.267578 9.480299 8.786294 9.366200 4.646442 7.243233 4.959037 2.464097 4.299235 0.000000 12.241108 4.967743 2.091503 4.253586 3.073882 7.377764 2.613844 6.526551 4.732460 3.687938 5.065760 5.877276 4.136907 5.780735 8.414638 6.174260 5.424966 7.271625 6.283754 8.422210 9.623971 3.109289 9.630666 10.694531 10.685265 1.093050 5.207617 4.727680 6.150778 6.756095 3.783545 7.204965 6.028017 8.041148 6.167040 7.627599 9.855099 9.851611 11.639793 0.000000 11.922898 4.826846 2.094811 4.659449 4.188311 7.373271 2.606381 6.301778 3.838900 2.985421 4.403152 4.729113 3.305901 5.778634 8.301584 4.942030 4.330226 7.572653 6.643497 8.081168 9.625868 3.730168 9.237225 10.613978 10.427829 1.093914 5.918959 3.979950 5.396212 5.580700 3.245581 5.890447 4.951575 8.477720 6.760174 7.147065 9.998892 9.313464 11.629899 1.797126 0.000000 12.899478 4.757069 2.020257 5.312019 4.088052 7.765141 3.235297 6.716977 4.643831 4.054615 4.629473 5.754193 4.789017 5.879975 8.898161 6.296840 5.884402 7.707146 6.557747 8.932315 10.148567 4.086578 10.202426 11.281970 11.293259 1.090843 6.416827 3.939819 5.629285 6.436542 4.789708 7.273607 6.623490 8.589041 6.414927 8.092482 10.346413 10.429566 12.245129 1.790236 1.788857 0.000000 8.893656 5.360328 4.981417 2.090590 2.770794 5.031201 3.927540 5.183010 5.657048 4.654463 6.142302 6.611646 4.810547 4.897549 5.638973 6.729389 5.909097 4.682246 4.589675 5.913114 6.391487 2.703579 6.861629 7.268765 7.469450 5.562603 1.091724 6.689652 6.947224 7.471995 4.376042 7.662161 6.339803 4.876680 4.698772 5.664987 6.557137 7.329396 8.003785 5.042826 5.973546 6.468243 0.000000 7.114086 5.040217 5.497838 2.021417 3.742083 3.693493 4.252772 4.099642 5.201271 4.502708 5.738035 5.912466 4.633374 4.225945 4.013025 6.018903 5.421948 3.628741 3.993435 4.250032 4.733767 3.234092 5.123152 5.521694 5.681984 6.351479 1.088257 6.526837 6.320690 6.652764 4.504281 6.829313 5.870376 3.790331 4.467417 4.163613 5.038928 5.652359 6.291240 6.097335 6.620122 7.288767 1.789635 0.000000 8.303658 4.300526 4.851572 2.092849 2.631244 3.675674 3.927604 4.008335 5.248725 4.632025 5.353906 6.273525 5.205929 3.588328 4.510077 6.714238 6.235999 3.031614 2.953034 5.144856 5.177625 2.642295 6.242882 6.262326 6.718198 5.820350 1.089415 5.993672 6.019746 6.943275 5.129736 7.646220 6.885386 3.208981 3.052152 5.059775 5.153961 6.921687 6.959711 5.541602 6.366273 6.590513 1.788998 1.787642 0.000000 C19H18ClN3O4 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 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.5092,1.0736,.6873;-1.9758,-.9932,-1.8114;-4.3241,-.2002,-.1933;-1.4492,-.7557,1.7187;-3.2628,-2.0844,1.3909;1.283,-1.3602,-.7914;-3.185,.0587,.5755;.2766,-.5702,-1.2789;-1.9499,1.3989,-1.0909;-2.4514,1.2317,.2083;-2.1479,.3866,-2.198;-1.2613,2.5802,-1.3788;-2.2563,2.209,1.1842;-.7564,-1.387,-1.3939;2.529,-.7854,-.4527;-1.0648,3.5611,-.4095;-1.5557,3.3725,.8813;.8674,-2.6486,-.6143;-.4503,-2.7131,-.9993;2.5976,.5732,-.1296;3.6861,-1.569,-.4353;-2.6733,-1.0297,1.2373;3.8179,1.1453,.2138;4.9053,-1.002,-.077;4.9594,.3506,.2424;-5.4947,.3353,.4555;-.8292,-1.7964,2.5062;-3.1743,.4216,-2.5637;-1.4705,.613,-3.0251;-.8527,2.7195,-2.3741;-2.6551,2.0414,2.1777;-.5198,4.4644,-.6603;-1.4028,4.1269,1.6447;1.5199,-3.4039,-.2069;-1.1114,-3.5634,-.9777;1.6987,1.175,-.141;3.6496,-2.6146,-.714;3.8721,2.1969,.4662;5.8027,-1.6077,-.0643;-5.6486,-.1464,1.4245;-5.4082,1.4191,.5755;-6.3218,.1004,-.2159;-1.3901,-1.9566,3.429;.1688,-1.4242,2.7294;-.7693,-2.723,1.9365; 0.3226004 0.1060534 0.0950236 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= 725 723 723 724 725 MxSgAt= 45 MxSgA2= 45. 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= 710 RedAO= T EigKep= 2.00D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 9.69D-07 NBFU= 706 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= 724 724 724 724 724 MxSgAt= 45 MxSgA2= 45. 1 3.44795888e-01 9.21946516e-01 4.01668663e-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 42 43 44 45 17 8 8 8 8 7 7 7 6 6 6 6 6 6 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 -0.014107155 0.003816435 -0.004343090 0.011462011 -0.004779274 0.002615996 0.011157177 -0.005084340 0.013370441 -0.011561299 0.005487110 -0.000651386 0.010040557 -0.013137264 -0.004155369 -0.010288491 -0.003170837 -0.004312622 -0.007471647 0.000546603 -0.005991698 -0.001700835 0.017019689 0.005943018 0.000607142 0.000660230 0.002301898 -0.003110741 0.004034030 0.000858775 0.000452670 0.010346538 0.006606778 -0.001726551 0.001083090 0.004260456 0.001563003 0.000707217 -0.005051448 0.004778345 -0.008193718 0.000650024 -0.002646409 0.000326105 -0.000786798 -0.002884469 0.003470568 0.001644733 -0.001314748 0.002990829 -0.003514349 -0.000202847 -0.012345601 -0.003898050 0.005935835 -0.004798531 0.000456261 0.002632044 0.005210207 0.000446112 0.000066849 -0.005528334 0.000079303 0.000842862 0.004674057 0.002170447 -0.000497323 0.005209540 0.000034131 -0.002886978 -0.004584642 -0.000725128 0.007283456 -0.001830840 0.002077727 0.010406153 0.006961305 -0.004504923 -0.005470305 -0.008177844 -0.007197104 0.001463878 -0.000884506 -0.001276982 -0.000884915 -0.001483110 -0.000281347 -0.000413618 -0.000235985 0.000900334 0.000515489 -0.001192289 -0.000602112 -0.000988132 0.001153355 0.000360177 -0.000321880 0.000948659 -0.001070926 -0.000498940 0.000341318 -0.000200389 0.000466961 0.000665977 -0.000153019 0.001136595 -0.000605703 0.000183097 0.000840289 -0.000438298 0.000421733 -0.000913026 0.000785190 -0.000238463 -0.001213566 -0.000230812 -0.000248684 -0.001404750 -0.001991046 -0.000971158 -0.002238116 0.000672498 0.000731065 0.000547222 -0.001119549 0.001561862 0.002159907 0.001101206 -0.000350779 -0.001326315 0.001360602 0.000551498 0.001714612 0.000240165 0.002299956 0.017019689 0.004658512 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1660.54973201991 -1660.54973578510 -0.000003765192 -1660.54973578279 0.000000002304 -1660.54973583156 -0.000000048767 -1660.54973583288 -0.000000001314 -1660.54973583315 -0.000000000276 -1660.54973583316 -0.000000000010 -1660.54973583314 0.000000000021 -1660.54973583 8 1.654585340337e+03 -9.242242235325e+03 3.253672755654e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773767501 LenY= 3773223595 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) PT239044.100S 2022-05-12T10:06:18.000 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 42 43 44 45 Cl O O O O N N N C C C C C C 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 0.336162 -0.020170 0.135428 -0.054676 -0.328413 0.112674 -0.150212 0.067529 0.267402 -0.921013 -0.554147 0.047104 0.391825 -0.029878 -0.291193 -0.360704 -0.172203 0.121603 -0.629012 -0.370870 -0.116546 0.215438 -0.454718 -0.581514 0.669828 -0.237618 -0.274645 0.209738 0.174564 0.148838 0.164136 0.159413 0.160594 0.177081 0.168735 0.207265 0.159301 0.175871 0.179441 0.183629 0.176202 0.189364 0.183122 0.187953 0.177292 -0.00000 -101.55902 -19.17953 -19.17266 -19.16395 -19.11141 -14.40171 -14.39856 -14.33084 -10.33335 -10.25653 -10.24167 -10.23482 -10.23301 -10.22538 -10.21880 -10.21494 -10.21317 -10.19684 -10.19357 -10.19264 -10.19180 -10.18846 -10.18393 -10.18177 -10.18118 -10.18078 -10.17028 -9.47356 -7.23801 -7.22848 -7.22816 -1.13425 -1.09493 -1.08979 -1.05189 -1.02613 -0.91050 -0.90335 -0.87043 -0.85869 -0.82450 -0.79969 -0.78358 -0.76828 -0.76028 -0.73537 -0.72971 -0.70264 -0.67949 -0.64532 -0.64370 -0.62815 -0.61329 -0.59989 -0.58505 -0.56922 -0.55800 -0.55287 -0.53380 -0.52018 -0.50920 -0.49683 -0.49293 -0.48778 -0.47903 -0.47673 -0.46985 -0.46273 -0.45786 -0.45516 -0.45033 -0.44705 -0.43987 -0.43760 -0.43243 -0.43098 -0.41366 -0.40728 -0.40504 -0.39263 -0.38989 -0.38465 -0.37732 -0.37071 -0.36898 -0.36324 -0.35601 -0.34979 -0.33628 -0.32326 -0.31647 -0.31178 -0.30571 -0.30093 -0.28213 -0.27533 -0.27405 -0.26338 -0.25880 -0.24910 -0.22107 -0.04061 -0.03519 -0.03100 -0.02301 0.00115 0.00726 0.01124 0.01331 0.01518 0.01923 0.02363 0.02970 0.03080 0.03547 0.03632 0.03834 0.04009 0.04902 0.05022 0.05456 0.05537 0.05890 0.05975 0.06393 0.06788 0.06932 0.07332 0.07667 0.07797 0.08108 0.08973 0.09452 0.09582 0.09852 0.10055 0.10339 0.10707 0.10805 0.11206 0.11351 0.11774 0.12090 0.12227 0.12567 0.12677 0.13446 0.13540 0.13871 0.13922 0.14288 0.14681 0.14781 0.15090 0.15203 0.15640 0.15817 0.16054 0.16284 0.16846 0.16880 0.17274 0.17475 0.17796 0.17863 0.18152 0.18336 0.18817 0.19051 0.19134 0.19283 0.19450 0.19886 0.19901 0.20308 0.20368 0.20554 0.21147 0.21239 0.21745 0.21767 0.21880 0.22355 0.22429 0.22708 0.22808 0.22976 0.23114 0.23311 0.23858 0.23915 0.24325 0.24429 0.24773 0.25023 0.25391 0.25793 0.25992 0.26461 0.26652 0.26865 0.27259 0.27587 0.27633 0.27950 0.28073 0.28398 0.29051 0.29363 0.29443 0.29862 0.30126 0.30315 0.30913 0.31250 0.31431 0.31686 0.31956 0.32411 0.32504 0.32907 0.33169 0.33458 0.33822 0.34142 0.34465 0.35037 0.35082 0.35512 0.35715 0.36048 0.36797 0.37295 0.37505 0.37979 0.38230 0.38636 0.39146 0.39270 0.39880 0.40043 0.40602 0.41225 0.41865 0.42881 0.43096 0.43564 0.44090 0.45223 0.45816 0.45961 0.46028 0.46682 0.46803 0.47765 0.49111 0.49321 0.49615 0.50452 0.50661 0.51311 0.51705 0.52205 0.53240 0.53377 0.54244 0.54449 0.54765 0.54931 0.55512 0.56613 0.56629 0.57415 0.57878 0.58316 0.58701 0.59601 0.59698 0.59962 0.60704 0.61530 0.62132 0.62297 0.63238 0.63572 0.63981 0.64435 0.65104 0.65555 0.66018 0.66472 0.67207 0.67957 0.68538 0.68660 0.69469 0.69562 0.70112 0.70229 0.70775 0.70881 0.71580 0.72275 0.72663 0.72863 0.73106 0.73247 0.73793 0.74462 0.75163 0.75321 0.75635 0.76640 0.76933 0.77512 0.78044 0.78341 0.78522 0.79333 0.79553 0.80649 0.81504 0.82200 0.82679 0.83347 0.83993 0.84872 0.84920 0.85470 0.85883 0.86215 0.86344 0.86557 0.87335 0.88455 0.88825 0.89509 0.89973 0.90604 0.91238 0.91474 0.92378 0.93012 0.93284 0.94331 0.94657 0.94979 0.95996 0.96095 0.96963 0.97677 0.99345 0.99439 1.00649 1.01112 1.01768 1.02025 1.02820 1.03828 1.04762 1.05652 1.06019 1.06678 1.07098 1.08133 1.08769 1.09108 1.09536 1.09731 1.10529 1.11432 1.11727 1.12491 1.13878 1.14084 1.14192 1.15583 1.15919 1.16646 1.18175 1.19322 1.19708 1.20115 1.21232 1.22109 1.22537 1.23772 1.24889 1.26644 1.27117 1.28780 1.29708 1.30077 1.31302 1.31868 1.32432 1.34026 1.35125 1.36027 1.37066 1.38410 1.39159 1.40309 1.42544 1.42969 1.44503 1.45177 1.45646 1.45712 1.47423 1.47674 1.49148 1.49541 1.51171 1.51937 1.52429 1.52959 1.53398 1.53920 1.54887 1.55314 1.57276 1.57415 1.57547 1.57977 1.58519 1.59062 1.59270 1.60048 1.60436 1.60920 1.61565 1.62207 1.63076 1.64206 1.64711 1.65785 1.66453 1.67103 1.68676 1.69521 1.69759 1.70551 1.71317 1.72275 1.72927 1.73922 1.74934 1.75272 1.76351 1.76695 1.77123 1.77770 1.78343 1.78559 1.79934 1.80624 1.80838 1.81999 1.82241 1.83389 1.84945 1.85509 1.86317 1.86519 1.88378 1.89515 1.90191 1.91032 1.91592 1.91804 1.92222 1.92457 1.93478 1.94411 1.94973 1.95154 1.95565 1.96282 1.97137 1.98357 1.98500 1.99507 2.00780 2.00945 2.02284 2.02573 2.02778 2.05557 2.05655 2.06310 2.07126 2.07728 2.08633 2.09518 2.10920 2.11513 2.12292 2.13780 2.14572 2.16228 2.16825 2.17912 2.19620 2.20802 2.21156 2.23389 2.24686 2.25493 2.26756 2.27474 2.28629 2.29056 2.30379 2.32402 2.36373 2.38645 2.39560 2.40083 2.41433 2.42104 2.43084 2.44220 2.44818 2.45956 2.47635 2.47942 2.49071 2.51254 2.52102 2.52730 2.53111 2.53795 2.54730 2.55728 2.56789 2.57281 2.59115 2.60052 2.60209 2.62197 2.63277 2.63785 2.65401 2.65828 2.66997 2.67672 2.68178 2.68326 2.70233 2.70574 2.71750 2.72419 2.72894 2.73788 2.75527 2.76218 2.76789 2.76989 2.77913 2.78530 2.78749 2.79930 2.80109 2.80229 2.81829 2.82945 2.83351 2.83745 2.84740 2.84868 2.85593 2.87191 2.88263 2.88832 2.89559 2.90240 2.91202 2.91734 2.92353 2.93220 2.93919 2.94150 2.95005 2.95684 2.98829 2.99742 3.02534 3.03687 3.04748 3.05596 3.07451 3.07614 3.08122 3.09774 3.12344 3.13161 3.13988 3.16461 3.17847 3.19079 3.19636 3.20990 3.22309 3.22533 3.23586 3.25579 3.29963 3.33046 3.34241 3.35664 3.36842 3.38769 3.39220 3.40471 3.42125 3.44579 3.45074 3.48101 3.51048 3.53724 3.54998 3.56926 3.57062 3.59978 3.61905 3.62690 3.72145 3.74176 3.76817 3.80204 3.80743 3.81292 3.82195 3.86144 3.89604 3.89911 3.92326 3.95411 3.98188 3.99636 4.03927 4.04851 4.05590 4.07628 4.09126 4.12700 4.12795 4.14101 4.16271 4.17067 4.18960 4.19296 4.23545 4.31099 4.36167 4.56621 4.67284 4.84065 4.85327 4.93163 5.12793 5.13820 5.15002 5.16543 5.19186 5.24469 5.38403 5.42222 5.47495 5.48879 5.63939 5.82045 5.86332 5.89616 9.77252 23.56695 23.64975 23.80981 23.87337 23.88481 23.91613 23.92744 23.95272 23.96202 23.96380 23.98341 23.98999 24.03495 24.07947 24.09395 24.09438 24.17157 24.18910 24.19366 25.82721 26.11835 26.57388 35.55554 35.56510 35.64446 49.92917 49.94493 49.99238 50.04995 215.76319 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 42 43 44 45 Cl O O O O N N N C C C C C C 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 0.341024 -0.040148 0.089793 -0.039635 -0.332314 0.246332 -0.134423 -0.030691 0.242089 -0.935239 -0.497785 0.060037 0.365861 -0.123984 -0.292332 -0.349305 -0.172353 0.051619 -0.520972 -0.323935 -0.126164 0.215285 -0.384868 -0.636835 0.608275 -0.234510 -0.266600 0.211660 0.178341 0.151339 0.167003 0.161417 0.163034 0.179274 0.169763 0.210343 0.163275 0.179525 0.183299 0.184263 0.176344 0.189706 0.183347 0.188362 0.181484 -0.00000 3.76611184e-01 8.65580195e-01 4.02639098e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.9573 2.2001 1.0234 2.6085 -173.5879 -148.6867 -158.3559 -28.4335 -1.1064 -0.4368 -13.3777 11.5234 1.8543 -28.4335 -1.1064 -0.4368 -180.1714 -2.4975 21.2798 54.3738 4.1804 -11.7449 -35.1740 12.4203 4.3545 -12.1322 -10738.7165 -2756.5898 -1397.2764 -489.2180 -93.1244 -40.3386 41.5630 7.1463 -65.0750 -2339.8311 -2072.4557 -735.6556 79.4544 11.2385 -24.1421 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1660.5497358 5.111E-9 1.023E-5 -16.9640996,15.5306172,1.4334825,16.3910787,0.1632361,0.752335 C01 [X(C19H18Cl1N3O4)] -0.5328602 0.801483 -0.3561857 0.000011535 0.000001029 0.000009515 0.000004881 -0.000002990 0.000006991 0.000020169 -0.000004493 -0.000006189 0.000000016 0.000005490 -0.000015434 0.000001554 -0.000001135 0.000001707 -0.000006266 0.000022394 -0.000008575 0.000024036 0.000036211 0.000004561 -0.000016192 0.000010709 -0.000000738 0.000010810 0.000003512 -0.000001354 -0.000024801 0.000024717 0.000006765 -0.000010175 0.000008103 0.000002032 0.000006324 -0.000004277 0.000002015 0.000007123 -0.000010511 -0.000001676 0.000015401 -0.000012169 -0.000008721 -0.000008958 -0.000004199 0.000010072 0.000004432 0.000002866 -0.000005448 -0.000002981 0.000001521 0.000003041 0.000004714 -0.000019846 0.000009153 -0.000009201 -0.000004968 0.000003687 -0.000002204 0.000005571 0.000003470 -0.000007392 -0.000001504 0.000002585 -0.000017849 -0.000050088 -0.000023077 0.000016529 -0.000003224 0.000008266 0.000017684 0.000000316 0.000010633 -0.000025941 0.000009182 -0.000000719 -0.000018865 -0.000013707 0.000003606 -0.000003198 0.000013391 0.000021950 0.000004462 0.000000693 -0.000011294 0.000001251 -0.000001931 -0.000000418 0.000004214 -0.000001654 -0.000000384 -0.000000634 -0.000002514 -0.000003459 0.000003171 -0.000001200 0.000001332 0.000004092 -0.000001836 -0.000002812 0.000000691 0.000002092 -0.000001975 -0.000001435 -0.000001000 -0.000000433 0.000000766 0.000003482 0.000002600 -0.000000912 0.000003058 0.000002834 0.000000172 0.000004984 0.000004364 -0.000003640 0.000002125 0.000006361 0.000001150 -0.000002446 -0.000010102 0.000001842 -0.000000043 -0.000008627 0.000000329 -0.000003489 -0.000003859 -0.000004154 -0.000003470 -0.000006078 -0.000003670 -0.000002256 0.000001051 0.000001120 -0.000006495 -0.000007224 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.6058,-.1389,-.6049;2.1377,-.7393,1.7827;4.2852,.5552,.2095;1.543,-.4184,-1.73;3.5726,-1.4065,-1.4728;-1.0079,-1.6449,.7438;3.1107,.6402,-.5447;-.1589,-.71,1.2728;1.6665,1.6417,1.1903;2.1778,1.6376,-.1159;2.0574,.6266,2.242;.7756,2.6596,1.5403;1.7974,2.612,-1.0385;1.0074,-1.3281,1.3445;-2.3414,-1.292,.4358;.3932,3.637,.6245;.8981,3.6096,-.6745;-.3647,-2.824,.4986;.9461,-2.6653,.8799;-2.6612,.0459,.1853;-3.3352,-2.2728,.3765;2.8011,-.4876,-1.2635;-3.969,.4012,-.1276;-4.6411,-1.9216,.0485;-4.9455,-.5872,-.1986;5.3314,1.3298,-.4096;1.117,-1.5127,-2.5718;3.0634,.8304,2.6093;1.3579,.6811,3.0798;.3578,2.6693,2.5415;2.2107,2.5727,-2.0394;-.3059,4.4105,.9227;.6022,4.3619,-1.3967;-.8713,-3.664,.0515;1.7518,-3.3774,.8134;-1.8879,.8012,.2289;-3.1048,-3.3071,.5993;-4.2176,1.4367,-.3237;-5.4122,-2.6803,.0035;5.5619,.9359,-1.4028;5.0464,2.3841,-.4719;6.1939,1.2161,.2486;1.6889,-1.5187,-3.5017;.0656,-1.319,-2.7752;1.2335,-2.4631,-2.0521; Gaussian 16 GINC-BELVIS22 APULGAR Optimization pyraclostrobin CONF62 octanol EM64L-G16RevC.01 129 C1[X(C19H18ClN3O4)] 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 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.6058,-.1389,-.6049;2.1377,-.7393,1.7827;4.2852,.5552,.2095;1.543,-.4184,-1.73;3.5726,-1.4065,-1.4728;-1.0079,-1.6449,.7438;3.1107,.6402,-.5447;-.1589,-.71,1.2728;1.6665,1.6417,1.1903;2.1778,1.6376,-.1159;2.0574,.6266,2.242;.7756,2.6596,1.5403;1.7974,2.612,-1.0385;1.0074,-1.3281,1.3445;-2.3414,-1.292,.4358;.3932,3.637,.6245;.8981,3.6096,-.6745;-.3647,-2.824,.4986;.9461,-2.6653,.8799;-2.6612,.0459,.1853;-3.3352,-2.2728,.3765;2.8011,-.4876,-1.2635;-3.969,.4012,-.1276;-4.6411,-1.9216,.0485;-4.9455,-.5872,-.1986;5.3314,1.3298,-.4096;1.117,-1.5127,-2.5718;3.0634,.8304,2.6093;1.3579,.6811,3.0798;.3578,2.6693,2.5415;2.2107,2.5727,-2.0394;-.3059,4.4105,.9227;.6022,4.3619,-1.3967;-.8713,-3.664,.0515;1.7518,-3.3774,.8134;-1.8879,.8012,.2289;-3.1048,-3.3071,.5993;-4.2176,1.4367,-.3237;-5.4122,-2.6803,.0035;5.5619,.9359,-1.4028;5.0464,2.3841,-.4719;6.1939,1.2161,.2486;1.6889,-1.5187,-3.5017;.0656,-1.319,-2.7752;1.2335,-2.4631,-2.0521; Optimization pyraclostrobin CONF62 octanol 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 42 43 44 45 35 16 16 16 16 14 14 14 12 12 12 12 12 12 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 34.9688527 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 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 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 3 0 0 0 0 2 2 2 0 0 0 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyraclostrobin/octanol/CONF62/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 R42 R43 R44 R45 R46 R47 1 2 2 3 3 4 4 5 6 6 6 7 7 8 9 9 9 10 11 11 12 12 13 13 14 15 15 16 16 17 18 18 19 20 20 21 21 23 23 24 24 26 26 26 27 27 27 25 11 14 7 26 22 27 22 8 15 18 10 22 14 10 11 12 13 28 29 16 30 17 31 19 20 21 17 32 33 19 34 35 23 36 24 37 25 38 25 39 40 41 42 43 44 45 1.7671 1.4433 1.3477 1.3984 1.4415 1.3436 1.4448 1.218 1.3692 1.4134 1.3653 1.4315 1.3727 1.3219 1.4027 1.5131 1.3973 1.3948 1.0902 1.0927 1.3929 1.0849 1.3915 1.0836 1.4169 1.3982 1.3976 1.3939 1.0844 1.084 1.3743 1.0781 1.0773 1.3908 1.0818 1.3915 1.0827 1.3912 1.0828 1.3908 1.0827 1.0931 1.0939 1.0908 1.0917 1.0883 1.0894 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A73 A74 A75 A76 11 7 22 8 8 15 3 3 10 6 10 10 11 7 7 9 2 2 2 9 9 28 9 9 16 10 10 17 2 2 8 6 6 20 12 12 17 13 13 16 6 6 19 14 14 18 15 15 23 15 15 24 4 4 5 20 20 25 21 21 25 1 1 23 3 3 3 40 40 41 4 4 4 43 43 44 2 3 4 6 6 6 7 7 7 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 26 26 26 27 27 27 27 27 27 14 26 27 15 18 18 10 22 22 14 11 12 12 9 13 13 9 28 29 28 29 29 16 30 30 17 31 31 8 19 19 20 21 21 17 32 32 16 33 33 19 34 34 18 35 35 23 36 36 24 37 37 5 7 7 25 38 38 25 39 39 23 24 24 40 41 42 41 42 42 43 44 45 44 45 45 118.0515 110.202 116.0653 119.9171 111.5245 128.3893 115.3506 114.9584 125.6121 104.4077 123.4485 117.8923 118.6391 121.2324 117.8021 120.9648 115.3424 103.4607 109.0741 110.317 109.5188 108.8479 121.43 118.8933 119.6599 120.2699 118.7909 120.9386 123.5981 123.7244 112.6603 119.5879 120.3247 120.087 119.9661 119.7771 120.2532 119.4689 119.9785 120.5506 107.4464 121.7336 130.7884 103.9585 127.7072 128.3068 119.9865 119.8255 120.1867 120.0128 120.6852 119.2948 124.9129 110.5315 124.5355 119.3408 120.0637 120.5921 119.3029 120.0853 120.6039 119.4086 119.3302 121.2608 110.4663 110.6815 104.9956 110.5196 110.1186 109.9276 110.2388 105.0099 110.565 110.358 110.2121 110.3491 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 14 14 14 11 11 26 26 7 7 7 27 27 22 22 22 15 18 8 8 18 18 8 8 15 15 3 3 22 22 3 3 10 10 6 6 11 11 12 12 10 10 10 12 12 12 10 10 11 11 7 7 9 9 9 9 30 30 10 10 31 31 2 2 8 8 6 6 21 21 6 6 20 20 12 12 32 32 6 6 34 34 15 15 36 36 15 15 37 37 20 20 38 38 21 21 39 39 2 2 2 2 2 3 3 3 3 3 4 4 4 4 4 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 12 12 12 12 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 18 18 18 18 20 20 20 20 21 21 21 21 23 23 23 23 24 24 24 24 11 11 11 14 14 7 7 26 26 26 22 22 27 27 27 8 8 15 15 15 15 18 18 18 18 10 10 10 10 22 22 22 22 14 14 10 10 10 10 11 11 11 11 11 11 12 12 12 12 13 13 13 13 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 21 21 21 21 17 17 17 17 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 25 25 25 25 9 28 29 8 19 10 22 40 41 42 5 7 43 44 45 14 14 20 21 20 21 19 34 19 34 9 13 9 13 4 5 4 5 2 19 7 13 7 13 2 28 29 2 28 29 16 30 16 30 17 31 17 31 17 32 17 32 16 33 16 33 18 35 18 35 23 36 23 36 24 37 24 37 13 33 13 33 14 35 14 35 25 38 25 38 25 39 25 39 1 24 1 24 1 23 1 23 -63.9016 175.5414 59.8043 2.249 -179.3683 -95.3738 106.0005 -62.0691 60.6693 179.242 -1.8936 176.535 -65.6803 175.4556 56.4349 -175.5015 0.1592 23.9924 -156.232 -150.8554 28.9202 0.1753 -177.9876 175.3757 -2.7872 -57.2578 122.4187 98.7611 -81.5624 167.4837 -14.0805 11.3831 -170.1812 178.1068 -0.4355 0.6999 -178.9664 179.0453 -0.6209 -42.5719 74.1719 -166.0434 139.0942 -104.1619 15.6228 0.5198 179.0278 178.9469 -2.5451 -179.7038 0.5923 -0.0264 -179.7303 0.23 179.5369 -178.2667 1.0402 0.7881 -179.7146 -179.5144 -0.0172 -177.9971 0.2047 0.5431 178.7449 179.5635 -0.0093 -0.2126 -179.7855 -178.8155 2.1684 0.9589 -178.0572 -0.888 179.6177 179.8084 0.3142 -0.4094 -178.5964 177.5268 -0.6602 -0.5411 -179.8744 179.0302 -0.3031 -0.9363 -179.9253 178.0935 -0.8955 -179.6605 0.5636 -0.3308 179.8933 -179.5992 0.1769 -0.6156 179.1605 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00148 0.00272 0.00336 0.00493 0.00581 0.00705 0.00859 0.00946 0.01094 0.01147 0.01245 0.01559 0.01644 0.01701 0.01756 0.01761 0.01785 0.01834 0.02062 0.02114 0.02152 0.02299 0.02328 0.02511 0.02542 0.02680 0.02724 0.02819 0.02834 0.02900 0.02919 0.03238 0.04539 0.05136 0.05301 0.06241 0.07738 0.08249 0.08300 0.08317 0.08376 0.09102 0.10212 0.10805 0.10819 0.10843 0.11173 0.11531 0.11600 0.11820 0.12125 0.12455 0.12530 0.12627 0.12826 0.14951 0.15340 0.17174 0.17445 0.17975 0.18419 0.18580 0.18616 0.18819 0.18935 0.19026 0.19116 0.19276 0.19784 0.20531 0.20692 0.22138 0.22434 0.23003 0.23060 0.24410 0.24666 0.25134 0.26114 0.26342 0.26720 0.28679 0.29322 0.30188 0.30774 0.31880 0.32194 0.32902 0.33190 0.33479 0.33708 0.34010 0.34195 0.34497 0.34609 0.34877 0.34955 0.35584 0.35739 0.35771 0.36016 0.36027 0.36033 0.36164 0.36191 0.36366 0.37218 0.37351 0.37919 0.39039 0.40105 0.40962 0.41428 0.41914 0.42653 0.44822 0.44964 0.45698 0.46412 0.46596 0.46743 0.47928 0.49542 0.50228 0.50490 0.51112 0.57430 0.75879 0.79651 Angle between quadratic step and forces= 76.88 degrees. 1 2 3 0.00456657 0.00000567 0.00000000 0.00000176 0.00000019 0.00000019 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 R42 R43 R44 R45 R46 R47 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 A73 A74 A75 A76 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 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 3.33929 2.72742 2.54685 2.64258 2.72396 2.53901 2.73026 2.30166 2.58733 2.67085 2.58010 2.70506 2.59405 2.49804 2.65068 2.85931 2.64059 2.63572 2.06009 2.06500 2.63229 2.05017 2.62960 2.04779 2.67763 2.64222 2.64102 2.63410 2.04919 2.04854 2.59699 2.03725 2.03589 2.62827 2.04435 2.62958 2.04610 2.62902 2.04622 2.62832 2.04596 2.06557 2.06720 2.06139 2.06306 2.05651 2.05870 2.06039 1.92339 2.02572 2.09295 1.94647 2.24082 2.01325 2.00640 2.19234 1.82226 2.15458 2.05761 2.07064 2.11590 2.05603 2.11123 2.01310 1.80573 1.90370 1.92539 1.91146 1.89975 2.11935 2.07508 2.08846 2.09911 2.07329 2.11078 2.15719 2.15940 1.96629 2.08720 2.10006 2.09591 2.09380 2.09050 2.09881 2.08513 2.09402 2.10401 1.87529 2.12465 2.28269 1.81442 2.22891 2.23938 2.09416 2.09135 2.09765 2.09462 2.10635 2.08209 2.18014 1.92914 2.17355 2.08289 2.09551 2.10473 2.08223 2.09588 2.10494 2.08407 2.08271 2.11640 1.92800 1.93176 1.83252 1.92893 1.92193 1.91860 1.92403 1.83277 1.92972 1.92611 1.92356 1.92596 -1.11529 3.06378 1.04378 0.03925 -3.13057 -1.66459 1.85006 -1.08331 1.05888 3.12836 -0.03305 3.08112 -1.14634 3.06228 0.98497 -3.06308 0.00278 0.41875 -2.72676 -2.63292 0.50475 0.00306 -3.10647 3.06088 -0.04865 -0.99934 2.13661 1.72371 -1.42353 2.92314 -0.24575 0.19867 -2.97022 3.10855 -0.00760 0.01222 -3.12355 3.12493 -0.01084 -0.74302 1.29454 -2.89800 2.42765 -1.81797 0.27267 0.00907 3.12462 3.12321 -0.04442 -3.13642 0.01034 -0.00046 -3.13689 0.00401 3.13351 -3.11134 0.01815 0.01376 -3.13661 -3.13312 -0.00030 -3.10664 0.00357 0.00948 3.11969 3.13397 -0.00016 -0.00371 -3.13785 -3.12092 0.03785 0.01674 -3.10768 -0.01550 3.13492 3.13825 0.00548 -0.00715 -3.11709 3.09843 -0.01152 -0.00944 -3.13940 3.12467 -0.00529 -0.01634 -3.14029 3.10832 -0.01563 -3.13567 0.00984 -0.00577 3.13973 -3.13460 0.00309 -0.01074 3.12694 -0.00001 0.00001 0.00001 0.00000 -0.00002 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00002 0.00002 0.00004 0.00002 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00002 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00003 -0.00001 -0.00001 -0.00002 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 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 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -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 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00008 0.00010 0.00001 0.00015 -0.00013 -0.00005 -0.00002 -0.00006 0.00003 -0.00003 0.00005 0.00019 0.00029 0.00002 0.00001 -0.00006 -0.00003 -0.00007 -0.00001 -0.00002 0.00004 -0.00000 0.00004 0.00000 0.00000 0.00002 0.00002 -0.00002 -0.00000 0.00000 -0.00002 -0.00001 0.00000 -0.00002 -0.00001 -0.00003 -0.00002 0.00001 0.00001 0.00001 0.00001 0.00002 0.00001 0.00001 0.00003 -0.00000 -0.00001 -0.00000 -0.00008 0.00002 0.00001 -0.00002 0.00011 -0.00021 -0.00032 -0.00060 0.00000 -0.00015 -0.00000 0.00015 0.00006 -0.00011 0.00005 -0.00015 -0.00004 0.00005 -0.00011 0.00015 0.00010 -0.00002 -0.00001 0.00003 -0.00004 0.00001 0.00003 0.00000 0.00001 -0.00000 -0.00001 0.00006 -0.00004 0.00001 -0.00002 0.00001 0.00001 -0.00003 0.00002 0.00000 0.00007 -0.00007 0.00002 -0.00002 0.00000 0.00002 0.00003 -0.00004 0.00000 0.00007 -0.00007 0.00008 -0.00009 0.00000 0.00004 -0.00003 -0.00001 0.00006 -0.00003 -0.00003 0.00004 0.00003 -0.00007 0.00004 0.00005 0.00001 -0.00006 -0.00001 -0.00002 -0.00006 0.00004 0.00010 -0.00002 -0.00006 0.00000 -0.00228 -0.00203 -0.00215 0.00081 0.00108 -0.00157 0.00138 -0.00047 -0.00048 -0.00048 -0.00003 -0.00029 -0.00159 -0.00156 -0.00164 -0.00124 0.00001 -0.00112 -0.00106 -0.00261 -0.00255 -0.00003 0.00002 0.00136 0.00140 0.00006 0.00019 -0.00317 -0.00304 -0.00101 -0.00127 0.00218 0.00193 0.00025 0.00001 0.00035 0.00021 0.00017 0.00004 -0.00139 -0.00162 -0.00147 -0.00121 -0.00144 -0.00129 -0.00006 0.00001 -0.00023 -0.00016 -0.00010 -0.00010 0.00003 0.00004 0.00001 0.00003 -0.00006 -0.00004 -0.00008 -0.00004 -0.00009 -0.00004 -0.00027 -0.00022 -0.00002 0.00003 0.00005 0.00002 -0.00001 -0.00004 -0.00008 -0.00013 -0.00002 -0.00007 0.00006 0.00002 0.00004 -0.00000 0.00003 -0.00002 -0.00002 -0.00007 0.00002 0.00000 0.00005 0.00003 0.00003 -0.00002 0.00008 0.00003 -0.00000 -0.00001 0.00002 0.00001 -0.00003 -0.00001 0.00002 0.00004 -0.00008 0.00010 0.00001 0.00015 -0.00013 -0.00005 -0.00002 -0.00006 0.00003 -0.00003 0.00005 0.00019 0.00029 0.00002 0.00001 -0.00006 -0.00003 -0.00007 -0.00001 -0.00002 0.00004 -0.00000 0.00004 0.00000 0.00000 0.00002 0.00002 -0.00002 -0.00000 0.00000 -0.00002 -0.00001 0.00000 -0.00002 -0.00001 -0.00003 -0.00002 0.00001 0.00001 0.00001 0.00001 0.00002 0.00001 0.00001 0.00003 -0.00000 -0.00001 -0.00000 -0.00008 0.00002 0.00001 -0.00002 0.00011 -0.00021 -0.00032 -0.00060 0.00000 -0.00015 -0.00000 0.00015 0.00006 -0.00011 0.00005 -0.00015 -0.00004 0.00005 -0.00011 0.00015 0.00010 -0.00002 -0.00001 0.00003 -0.00004 0.00001 0.00003 0.00000 0.00001 -0.00000 -0.00001 0.00006 -0.00004 0.00001 -0.00002 0.00001 0.00001 -0.00003 0.00002 0.00001 0.00007 -0.00007 0.00002 -0.00002 0.00000 0.00002 0.00003 -0.00004 0.00000 0.00007 -0.00007 0.00008 -0.00009 0.00000 0.00004 -0.00003 -0.00001 0.00006 -0.00003 -0.00003 0.00004 0.00003 -0.00007 0.00004 0.00005 0.00001 -0.00006 -0.00001 -0.00002 -0.00006 0.00004 0.00010 -0.00002 -0.00006 0.00000 -0.00228 -0.00203 -0.00215 0.00081 0.00108 -0.00157 0.00138 -0.00047 -0.00048 -0.00048 -0.00003 -0.00029 -0.00159 -0.00156 -0.00164 -0.00124 0.00001 -0.00112 -0.00106 -0.00261 -0.00255 -0.00003 0.00002 0.00136 0.00140 0.00006 0.00019 -0.00317 -0.00304 -0.00101 -0.00127 0.00218 0.00193 0.00025 0.00001 0.00035 0.00021 0.00017 0.00004 -0.00139 -0.00162 -0.00147 -0.00121 -0.00144 -0.00129 -0.00006 0.00001 -0.00023 -0.00016 -0.00010 -0.00010 0.00003 0.00004 0.00001 0.00003 -0.00006 -0.00004 -0.00008 -0.00004 -0.00009 -0.00004 -0.00027 -0.00022 -0.00002 0.00003 0.00005 0.00002 -0.00001 -0.00004 -0.00008 -0.00013 -0.00002 -0.00007 0.00006 0.00002 0.00004 -0.00000 0.00003 -0.00002 -0.00002 -0.00007 0.00002 0.00000 0.00005 0.00003 0.00003 -0.00002 0.00008 0.00003 -0.00000 -0.00001 0.00002 0.00001 -0.00003 -0.00001 0.00002 0.00004 3.33921 2.72752 2.54686 2.64273 2.72383 2.53896 2.73023 2.30160 2.58736 2.67082 2.58015 2.70526 2.59434 2.49806 2.65068 2.85926 2.64056 2.63565 2.06008 2.06498 2.63233 2.05017 2.62964 2.04779 2.67763 2.64223 2.64104 2.63408 2.04919 2.04854 2.59697 2.03724 2.03589 2.62825 2.04434 2.62955 2.04608 2.62904 2.04623 2.62834 2.04597 2.06559 2.06721 2.06140 2.06309 2.05650 2.05869 2.06038 1.92331 2.02574 2.09296 1.94645 2.24092 2.01303 2.00608 2.19175 1.82226 2.15444 2.05761 2.07079 2.11597 2.05592 2.11128 2.01296 1.80569 1.90376 1.92528 1.91161 1.89986 2.11933 2.07507 2.08849 2.09907 2.07330 2.11080 2.15719 2.15941 1.96629 2.08719 2.10012 2.09587 2.09381 2.09048 2.09883 2.08513 2.09399 2.10403 1.87530 2.12472 2.28261 1.81443 2.22889 2.23938 2.09418 2.09137 2.09761 2.09462 2.10643 2.08201 2.18022 1.92905 2.17356 2.08293 2.09548 2.10472 2.08229 2.09586 2.10491 2.08412 2.08274 2.11633 1.92804 1.93181 1.83253 1.92887 1.92192 1.91858 1.92397 1.83281 1.92983 1.92609 1.92350 1.92596 -1.11757 3.06174 1.04163 0.04006 -3.12949 -1.66615 1.85144 -1.08378 1.05840 3.12788 -0.03308 3.08083 -1.14793 3.06072 0.98333 -3.06432 0.00279 0.41762 -2.72783 -2.63553 0.50220 0.00303 -3.10645 3.06224 -0.04724 -0.99928 2.13680 1.72054 -1.42657 2.92213 -0.24702 0.20085 -2.96830 3.10880 -0.00760 0.01256 -3.12334 3.12511 -0.01080 -0.74441 1.29293 -2.89947 2.42644 -1.81941 0.27138 0.00902 3.12464 3.12299 -0.04458 -3.13652 0.01024 -0.00043 -3.13685 0.00402 3.13354 -3.11140 0.01811 0.01367 -3.13665 -3.13320 -0.00034 -3.10690 0.00335 0.00946 3.11971 3.13402 -0.00014 -0.00372 -3.13788 -3.12100 0.03772 0.01672 -3.10775 -0.01544 3.13494 3.13829 0.00548 -0.00712 -3.11712 3.09841 -0.01159 -0.00942 -3.13940 3.12472 -0.00526 -0.01631 -3.14031 3.10840 -0.01560 -3.13567 0.00982 -0.00575 3.13974 -3.13462 0.00307 -0.01072 3.12698 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000041 0.000006 0.017220 0.004565 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.034604e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 737 A 710 A 710 1133 737 101 101 2673.4848573807 45 45 45 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 -0.0532435709 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 9.083483 0.000000 10.943428 2.960123 0.000000 8.230826 3.577093 3.497067 0.000000 10.293708 3.619712 2.680719 2.271986 0.000000 5.951703 3.434333 5.757044 3.759156 5.094308 0.000000 9.747856 2.875121 1.398394 2.232328 2.294242 4.883151 0.000000 6.738945 2.352775 4.741508 3.463845 4.684861 1.369158 3.977045 0.000000 8.650074 2.498391 2.999957 3.575912 4.473974 4.260717 2.469571 2.978196 0.000000 8.974728 3.042341 2.391379 2.689867 3.612919 4.654326 1.431458 3.591665 1.402677 0.000000 9.151049 1.443287 3.016505 4.139293 4.497702 4.098884 2.979182 2.763748 1.513082 2.568378 0.000000 8.180345 3.669708 4.303145 4.556139 5.782372 4.726994 3.725376 3.507071 1.397340 2.398729 2.503736 0.000000 8.852605 4.393875 3.460811 3.118733 4.414591 5.400734 2.420099 4.495019 2.434346 1.394761 3.843360 2.774295 0.000000 7.948226 1.347734 3.947056 3.250670 3.811018 2.126667 3.444866 1.321907 3.045938 3.506835 2.393523 3.999245 4.671959 0.000000 4.538436 4.709810 6.882981 4.532339 6.215435 1.413355 5.866864 2.408821 5.023859 5.413851 5.127697 5.152770 5.877438 3.470080 0.000000 8.047034 4.851473 4.981686 4.828264 6.320147 5.465924 4.211038 4.429680 2.433685 2.780385 3.801147 1.392950 2.405772 5.054496 5.639947 0.000000 8.388388 5.146573 4.645748 4.213683 5.740353 5.766702 3.705396 4.854756 2.817885 2.416270 4.329945 2.413074 1.391525 5.335652 5.979393 1.393904 0.000000 6.883216 3.500981 5.755365 3.793772 4.625836 1.365329 5.016701 2.260629 4.954422 5.171794 4.562083 5.696967 6.048758 2.199039 2.501675 6.506529 6.660502 0.000000 8.100467 2.438155 4.687358 3.495228 3.744196 2.208583 4.200184 2.280006 4.377838 4.585175 3.731898 5.368438 5.679383 1.416942 3.590358 6.331687 6.464775 1.374270 0.000000 4.027193 5.118371 6.965088 4.643178 6.612067 2.429819 5.848152 2.831125 4.720750 5.102918 5.180018 4.525379 5.287861 4.085335 1.398201 4.734808 5.109615 3.688956 4.565677 0.000000 4.026578 5.855094 8.129990 5.627896 7.203414 2.438316 7.133317 3.651613 6.403345 6.776942 6.400565 6.525502 7.225482 4.548365 1.397568 6.992066 7.323193 3.023703 4.328599 2.422267 0.000000 9.436356 3.127749 2.336629 1.343587 1.217986 4.458437 1.372714 3.904374 3.441216 2.494356 3.752781 4.676450 3.265815 3.275007 5.475400 5.135624 4.555787 4.311175 3.574664 5.676295 6.597832 0.000000 2.733561 6.499331 8.262481 5.798378 7.871037 3.703176 7.095971 4.208561 5.918951 6.269854 6.479423 5.512980 6.242445 5.470038 2.415201 5.483119 5.855057 4.876967 5.880130 1.390820 2.793954 6.921998 0.000000 2.732182 7.096328 9.264971 6.607988 8.369306 3.709436 8.185666 4.801724 7.333941 7.693630 7.495009 7.249396 7.949168 5.825570 2.415575 7.521598 7.861318 4.393713 5.697436 2.794610 1.391516 7.691828 2.424501 0.000000 1.767075 7.356663 9.310055 6.668857 8.651769 4.184643 8.156479 5.009095 7.114433 7.463039 7.514689 6.804122 7.510399 6.194086 2.771361 6.857316 7.210212 5.145218 6.339731 2.401276 2.401091 7.820058 1.391220 1.390849 0.000000 12.028816 4.391680 1.441457 4.376314 3.422130 7.096964 2.329267 6.093887 4.011034 3.182234 4.271387 5.130938 3.811734 5.370153 8.152354 5.547853 4.992198 7.108058 6.070851 8.116921 9.418481 3.230264 9.350895 10.499190 10.456296 0.000000 8.086848 4.538848 4.695668 1.444789 2.692437 3.940275 3.566314 4.129477 4.940103 4.132862 5.351021 5.868045 4.452747 3.922123 4.588490 6.104022 5.466764 3.652681 3.643072 4.930027 5.393737 2.366125 5.958517 6.339436 6.575842 5.524148 0.000000 10.235406 2.001007 2.706977 4.764559 4.682598 5.116934 3.160134 3.813494 2.150188 2.977087 1.090155 3.118188 4.252514 3.238207 6.200065 4.352805 4.816238 5.437021 4.437758 6.265960 7.453691 4.099373 7.558360 8.572671 8.604427 3.808849 6.010168 0.000000 8.813043 2.075567 4.101629 4.937339 5.476221 4.057633 4.026284 2.738874 2.142053 3.435078 1.092750 2.573676 4.569695 2.677850 4.956719 3.961947 4.783568 4.681378 4.025821 4.993485 6.169178 4.723656 6.224244 7.207720 7.217305 5.327794 6.067176 1.775453 0.000000 8.141114 3.919445 5.033060 5.402268 6.562138 4.869229 4.606564 3.646444 2.143493 3.382106 2.674088 1.084904 3.859046 4.222995 5.235643 2.147785 3.393968 5.905208 5.618240 4.642037 6.538370 5.514857 5.566815 7.230559 6.799862 5.936328 6.649119 3.272028 2.289726 0.000000 9.334965 5.058003 3.664914 3.080362 4.243832 5.991225 2.603654 5.230925 3.404990 2.139038 4.705525 3.857714 1.083643 5.302397 6.464093 3.395943 2.158962 6.496080 6.128560 5.921979 7.750727 3.211856 6.823431 8.456114 8.036446 3.733674 4.262649 5.037273 5.523795 4.942457 0.000000 7.919575 5.764618 6.037335 5.811493 7.390422 6.098603 5.295417 5.134588 3.410011 3.864722 4.652262 2.148604 3.391799 5.902019 6.074464 1.084383 2.154515 7.247147 7.185828 5.014093 7.358141 6.198682 5.531353 7.723617 6.910870 6.560847 7.022793 5.197491 4.618434 2.468409 4.299382 0.000000 8.534584 6.203927 5.534938 4.883444 6.488768 6.576962 4.568382 5.781883 3.901912 3.397777 5.413941 3.399122 2.149182 6.328870 6.632453 2.157371 1.084042 7.494299 7.394824 5.637410 7.916276 5.326408 6.180075 8.310432 7.530285 5.703883 6.013057 5.880298 5.844566 4.293544 2.490333 2.491265 0.000000 6.763232 4.539310 6.664574 4.419980 5.212338 2.138859 5.893874 3.274896 5.990623 6.118151 5.637836 6.702031 6.906400 3.264635 2.816958 7.431841 7.520875 1.078066 2.233058 4.121284 2.848143 5.030461 5.114043 4.152993 5.111594 7.976497 3.932277 6.497993 5.746292 6.915315 7.264132 8.141027 8.287577 0.000000 9.074594 2.836883 4.716788 3.907396 3.525120 3.259203 4.453268 3.313094 5.033883 5.118086 4.262167 6.158462 6.269312 2.244046 4.609305 7.147235 7.194473 2.210162 1.077347 5.620296 5.223854 3.710192 6.920266 6.601031 7.325503 6.038760 3.916533 4.759269 4.665033 6.441375 6.614593 8.055840 8.130359 2.746524 0.000000 4.882340 4.581820 6.178037 4.134685 6.130829 2.650083 5.060675 2.522468 3.776848 4.165109 4.432702 3.502549 4.297274 3.763125 2.151726 3.660862 4.057748 3.941438 4.524583 1.081823 3.400901 5.086735 2.148912 3.876375 3.385118 7.266769 4.714534 5.493895 4.321771 3.725798 5.008215 4.001424 4.639156 4.582893 5.572202 0.000000 4.872780 5.956344 8.347549 5.947424 7.245285 2.679637 7.451309 3.984496 6.899618 7.270952 6.694831 7.179434 7.858071 4.624037 2.161016 7.775411 8.092376 2.784203 4.110973 3.407420 1.082749 6.804368 3.876375 2.140815 3.379737 9.679279 5.576642 7.694498 6.478738 7.174869 8.354021 8.215805 8.748662 2.327245 4.861840 4.300675 0.000000 2.874862 7.040023 8.564990 6.213161 8.372087 4.575775 7.374780 4.861056 6.079233 6.401903 6.827533 5.468294 6.170276 6.142253 3.397434 5.196181 5.569162 5.802971 6.703611 2.148434 3.876766 7.338126 1.082815 3.405270 2.154367 9.550029 6.496931 7.872960 6.575831 5.537495 6.749636 5.069431 5.739224 6.111899 7.752530 2.477236 4.959154 0.000000 2.872879 7.995881 10.224981 7.516323 9.193952 4.584471 9.163264 5.752347 8.378290 8.733017 8.470035 8.316551 9.003988 6.696077 3.397625 8.602131 8.935471 5.073752 6.418370 3.877255 2.149173 8.594829 3.405243 1.082675 2.154040 11.475038 7.115116 9.536805 8.160695 8.267578 9.480299 8.786294 9.366200 4.646442 7.243233 4.959037 2.464097 4.299235 0.000000 12.241108 4.967743 2.091503 4.253586 3.073882 7.377764 2.613844 6.526551 4.732460 3.687938 5.065760 5.877276 4.136907 5.780735 8.414638 6.174260 5.424966 7.271625 6.283754 8.422210 9.623971 3.109289 9.630666 10.694531 10.685265 1.093050 5.207617 4.727680 6.150778 6.756095 3.783545 7.204965 6.028017 8.041148 6.167040 7.627599 9.855099 9.851611 11.639793 0.000000 11.922898 4.826846 2.094811 4.659449 4.188311 7.373271 2.606381 6.301778 3.838900 2.985421 4.403152 4.729113 3.305901 5.778634 8.301584 4.942030 4.330226 7.572653 6.643497 8.081168 9.625868 3.730168 9.237225 10.613978 10.427829 1.093914 5.918959 3.979950 5.396212 5.580700 3.245581 5.890447 4.951575 8.477720 6.760174 7.147065 9.998892 9.313464 11.629899 1.797126 0.000000 12.899478 4.757069 2.020257 5.312019 4.088052 7.765141 3.235297 6.716977 4.643831 4.054615 4.629473 5.754193 4.789017 5.879975 8.898161 6.296840 5.884402 7.707146 6.557747 8.932315 10.148567 4.086578 10.202426 11.281970 11.293259 1.090843 6.416827 3.939819 5.629285 6.436542 4.789708 7.273607 6.623490 8.589041 6.414927 8.092482 10.346413 10.429566 12.245129 1.790236 1.788857 0.000000 8.893656 5.360328 4.981417 2.090590 2.770794 5.031201 3.927540 5.183010 5.657048 4.654463 6.142302 6.611646 4.810547 4.897549 5.638973 6.729389 5.909097 4.682246 4.589675 5.913114 6.391487 2.703579 6.861629 7.268765 7.469450 5.562603 1.091724 6.689652 6.947224 7.471995 4.376042 7.662161 6.339803 4.876680 4.698772 5.664987 6.557137 7.329396 8.003785 5.042826 5.973546 6.468243 0.000000 7.114086 5.040217 5.497838 2.021417 3.742083 3.693493 4.252772 4.099642 5.201271 4.502708 5.738035 5.912466 4.633374 4.225945 4.013025 6.018903 5.421948 3.628741 3.993435 4.250032 4.733767 3.234092 5.123152 5.521694 5.681984 6.351479 1.088257 6.526837 6.320690 6.652764 4.504281 6.829313 5.870376 3.790331 4.467417 4.163613 5.038928 5.652359 6.291240 6.097335 6.620122 7.288767 1.789635 0.000000 8.303658 4.300526 4.851572 2.092849 2.631244 3.675674 3.927604 4.008335 5.248725 4.632025 5.353906 6.273525 5.205929 3.588328 4.510077 6.714238 6.235999 3.031614 2.953034 5.144856 5.177625 2.642295 6.242882 6.262326 6.718198 5.820350 1.089415 5.993672 6.019746 6.943275 5.129736 7.646220 6.885386 3.208981 3.052152 5.059775 5.153961 6.921687 6.959711 5.541602 6.366273 6.590513 1.788998 1.787642 0.000000 C19H18ClN3O4 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 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.5092,1.0736,.6873;-1.9758,-.9932,-1.8114;-4.3241,-.2002,-.1933;-1.4492,-.7557,1.7187;-3.2628,-2.0844,1.3909;1.283,-1.3602,-.7914;-3.185,.0587,.5755;.2766,-.5702,-1.2789;-1.9499,1.3989,-1.0909;-2.4514,1.2317,.2083;-2.1479,.3866,-2.198;-1.2613,2.5802,-1.3788;-2.2563,2.209,1.1842;-.7564,-1.387,-1.3939;2.529,-.7854,-.4527;-1.0648,3.5611,-.4095;-1.5557,3.3725,.8813;.8674,-2.6486,-.6143;-.4503,-2.7131,-.9993;2.5976,.5732,-.1296;3.6861,-1.569,-.4353;-2.6733,-1.0297,1.2373;3.8179,1.1453,.2138;4.9053,-1.002,-.077;4.9594,.3506,.2424;-5.4947,.3353,.4555;-.8292,-1.7964,2.5062;-3.1743,.4216,-2.5637;-1.4705,.613,-3.0251;-.8527,2.7195,-2.3741;-2.6551,2.0414,2.1777;-.5198,4.4644,-.6603;-1.4028,4.1269,1.6447;1.5199,-3.4039,-.2069;-1.1114,-3.5634,-.9777;1.6987,1.175,-.141;3.6496,-2.6146,-.714;3.8721,2.1969,.4662;5.8027,-1.6077,-.0643;-5.6486,-.1464,1.4245;-5.4082,1.4191,.5755;-6.3218,.1004,-.2159;-1.3901,-1.9566,3.429;.1688,-1.4242,2.7294;-.7693,-2.723,1.9365; 0.3226004 0.1060534 0.0950236 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= 710 RedAO= T EigKep= 2.00D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 9.69D-07 NBFU= 706 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= 721 721 721 721 721 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1660.54973583316 -1660.54973583 1 1.654585339971e+03 -9.242242229139e+03 3.253672749834e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773767501 LenY= 3773223595 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= 45. Will process 46 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 9.8629, EpsInf= 2.0435) 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. 13943 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3774873600 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= 135 IRICut= 337 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 138 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 135 vectors produced by pass 0 Test12= 6.11D-14 1.00D-09 XBig12= 3.43D+02 1.03D+01. AX will form 135 AO Fock derivatives at one time. 135 vectors produced by pass 1 Test12= 6.11D-14 1.00D-09 XBig12= 5.70D+01 1.06D+00. 135 vectors produced by pass 2 Test12= 6.11D-14 1.00D-09 XBig12= 4.76D-01 4.86D-02. 135 vectors produced by pass 3 Test12= 6.11D-14 1.00D-09 XBig12= 2.07D-03 3.94D-03. 135 vectors produced by pass 4 Test12= 6.11D-14 1.00D-09 XBig12= 6.29D-06 2.57D-04. 125 vectors produced by pass 5 Test12= 6.11D-14 1.00D-09 XBig12= 1.28D-08 1.12D-05. 58 vectors produced by pass 6 Test12= 6.11D-14 1.00D-09 XBig12= 1.90D-11 3.47D-07. 3 vectors produced by pass 7 Test12= 6.11D-14 1.00D-09 XBig12= 2.46D-14 1.32D-08. InvSVY: IOpt=1 It= 1 EMax= 3.91D-14 Solved reduced A of dimension 861 with 138 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 373.21 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 432.242 47.669 397.697 30.912 8.915 289.681 462.142 59.627 451.369 33.014 14.628 332.651 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT172849.600S 2022-05-12T13:06:31.000 -101.55902 -19.17953 -19.17266 -19.16395 -19.11141 -14.40171 -14.39856 -14.33084 -10.33335 -10.25653 -10.24167 -10.23482 -10.23301 -10.22538 -10.21880 -10.21494 -10.21317 -10.19684 -10.19357 -10.19264 -10.19180 -10.18846 -10.18393 -10.18177 -10.18118 -10.18078 -10.17028 -9.47356 -7.23801 -7.22848 -7.22816 -1.13425 -1.09493 -1.08979 -1.05189 -1.02613 -0.91050 -0.90335 -0.87043 -0.85869 -0.82450 -0.79969 -0.78358 -0.76828 -0.76028 -0.73537 -0.72971 -0.70264 -0.67949 -0.64532 -0.64370 -0.62815 -0.61329 -0.59989 -0.58505 -0.56922 -0.55800 -0.55287 -0.53380 -0.52018 -0.50920 -0.49683 -0.49293 -0.48778 -0.47903 -0.47673 -0.46985 -0.46273 -0.45786 -0.45516 -0.45033 -0.44705 -0.43987 -0.43760 -0.43243 -0.43098 -0.41366 -0.40728 -0.40504 -0.39263 -0.38989 -0.38465 -0.37732 -0.37071 -0.36898 -0.36324 -0.35601 -0.34979 -0.33628 -0.32326 -0.31647 -0.31178 -0.30571 -0.30093 -0.28213 -0.27533 -0.27405 -0.26338 -0.25880 -0.24910 -0.22107 -0.04061 -0.03519 -0.03100 -0.02301 0.00115 0.00726 0.01124 0.01331 0.01518 0.01923 0.02363 0.02970 0.03080 0.03547 0.03632 0.03834 0.04009 0.04902 0.05022 0.05456 0.05537 0.05890 0.05975 0.06393 0.06788 0.06932 0.07332 0.07667 0.07797 0.08108 0.08973 0.09452 0.09582 0.09852 0.10055 0.10339 0.10707 0.10805 0.11206 0.11351 0.11774 0.12090 0.12227 0.12567 0.12677 0.13446 0.13540 0.13871 0.13922 0.14288 0.14681 0.14781 0.15090 0.15203 0.15640 0.15817 0.16054 0.16284 0.16846 0.16880 0.17274 0.17475 0.17796 0.17863 0.18152 0.18336 0.18817 0.19051 0.19134 0.19283 0.19450 0.19886 0.19901 0.20308 0.20368 0.20554 0.21147 0.21239 0.21745 0.21767 0.21880 0.22355 0.22429 0.22708 0.22808 0.22976 0.23114 0.23311 0.23858 0.23915 0.24325 0.24429 0.24773 0.25023 0.25391 0.25793 0.25992 0.26461 0.26652 0.26865 0.27259 0.27587 0.27633 0.27950 0.28073 0.28398 0.29051 0.29363 0.29443 0.29862 0.30126 0.30315 0.30913 0.31250 0.31431 0.31686 0.31956 0.32411 0.32504 0.32907 0.33169 0.33458 0.33822 0.34142 0.34465 0.35037 0.35082 0.35512 0.35715 0.36048 0.36797 0.37295 0.37505 0.37979 0.38230 0.38636 0.39146 0.39270 0.39880 0.40043 0.40602 0.41225 0.41865 0.42881 0.43096 0.43564 0.44090 0.45223 0.45816 0.45961 0.46028 0.46682 0.46803 0.47765 0.49111 0.49321 0.49615 0.50452 0.50661 0.51311 0.51705 0.52205 0.53240 0.53377 0.54244 0.54449 0.54765 0.54931 0.55512 0.56613 0.56629 0.57415 0.57878 0.58316 0.58701 0.59601 0.59698 0.59962 0.60704 0.61530 0.62132 0.62297 0.63238 0.63572 0.63981 0.64435 0.65104 0.65555 0.66018 0.66472 0.67207 0.67957 0.68538 0.68660 0.69469 0.69562 0.70112 0.70229 0.70775 0.70881 0.71580 0.72275 0.72663 0.72863 0.73106 0.73247 0.73793 0.74462 0.75163 0.75321 0.75635 0.76640 0.76933 0.77512 0.78044 0.78341 0.78522 0.79333 0.79553 0.80649 0.81504 0.82200 0.82679 0.83347 0.83993 0.84872 0.84920 0.85470 0.85883 0.86215 0.86344 0.86557 0.87335 0.88455 0.88825 0.89509 0.89973 0.90604 0.91238 0.91474 0.92378 0.93012 0.93284 0.94331 0.94657 0.94979 0.95996 0.96095 0.96963 0.97677 0.99345 0.99439 1.00649 1.01112 1.01768 1.02025 1.02820 1.03828 1.04762 1.05652 1.06019 1.06678 1.07098 1.08133 1.08769 1.09108 1.09536 1.09731 1.10529 1.11432 1.11727 1.12491 1.13878 1.14084 1.14192 1.15583 1.15919 1.16646 1.18175 1.19322 1.19708 1.20115 1.21232 1.22109 1.22537 1.23772 1.24889 1.26644 1.27117 1.28780 1.29708 1.30077 1.31302 1.31868 1.32432 1.34026 1.35125 1.36027 1.37066 1.38410 1.39159 1.40309 1.42544 1.42969 1.44503 1.45177 1.45646 1.45712 1.47423 1.47674 1.49148 1.49541 1.51171 1.51937 1.52429 1.52959 1.53398 1.53920 1.54887 1.55314 1.57276 1.57415 1.57547 1.57977 1.58519 1.59062 1.59270 1.60048 1.60436 1.60920 1.61565 1.62207 1.63076 1.64206 1.64711 1.65785 1.66453 1.67103 1.68676 1.69521 1.69759 1.70551 1.71317 1.72275 1.72927 1.73922 1.74934 1.75272 1.76351 1.76695 1.77123 1.77770 1.78343 1.78559 1.79934 1.80624 1.80838 1.81999 1.82241 1.83389 1.84945 1.85509 1.86317 1.86519 1.88378 1.89515 1.90191 1.91032 1.91592 1.91804 1.92222 1.92457 1.93478 1.94411 1.94973 1.95154 1.95565 1.96282 1.97137 1.98357 1.98500 1.99507 2.00780 2.00945 2.02284 2.02573 2.02778 2.05557 2.05655 2.06310 2.07126 2.07728 2.08633 2.09518 2.10920 2.11513 2.12292 2.13780 2.14572 2.16228 2.16825 2.17912 2.19620 2.20802 2.21156 2.23389 2.24686 2.25493 2.26756 2.27474 2.28629 2.29056 2.30379 2.32402 2.36373 2.38645 2.39560 2.40083 2.41433 2.42104 2.43084 2.44220 2.44818 2.45956 2.47635 2.47942 2.49071 2.51254 2.52102 2.52730 2.53111 2.53795 2.54730 2.55728 2.56789 2.57281 2.59115 2.60052 2.60209 2.62197 2.63277 2.63785 2.65401 2.65828 2.66997 2.67672 2.68178 2.68326 2.70233 2.70574 2.71750 2.72419 2.72894 2.73788 2.75527 2.76218 2.76789 2.76989 2.77913 2.78530 2.78749 2.79930 2.80109 2.80229 2.81829 2.82945 2.83351 2.83745 2.84740 2.84868 2.85593 2.87191 2.88263 2.88832 2.89559 2.90240 2.91202 2.91734 2.92353 2.93220 2.93919 2.94150 2.95005 2.95684 2.98829 2.99742 3.02534 3.03687 3.04748 3.05596 3.07451 3.07614 3.08122 3.09774 3.12344 3.13161 3.13988 3.16461 3.17847 3.19079 3.19636 3.20990 3.22309 3.22533 3.23586 3.25579 3.29963 3.33046 3.34241 3.35664 3.36842 3.38769 3.39220 3.40471 3.42125 3.44579 3.45074 3.48101 3.51048 3.53724 3.54998 3.56926 3.57062 3.59978 3.61905 3.62690 3.72145 3.74176 3.76817 3.80204 3.80743 3.81292 3.82195 3.86144 3.89604 3.89911 3.92326 3.95411 3.98188 3.99636 4.03927 4.04851 4.05590 4.07628 4.09126 4.12700 4.12795 4.14101 4.16271 4.17067 4.18960 4.19296 4.23545 4.31099 4.36167 4.56621 4.67284 4.84065 4.85327 4.93163 5.12793 5.13820 5.15002 5.16543 5.19186 5.24469 5.38403 5.42222 5.47495 5.48879 5.63939 5.82045 5.86332 5.89616 9.77252 23.56695 23.64975 23.80981 23.87337 23.88481 23.91613 23.92744 23.95272 23.96202 23.96380 23.98341 23.98999 24.03495 24.07947 24.09395 24.09438 24.17157 24.18910 24.19366 25.82721 26.11835 26.57388 35.55554 35.56510 35.64446 49.92917 49.94493 49.99238 50.04995 215.76319 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 42 43 44 45 Cl O O O O N N N C C C C C C 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 0.341023 -0.040148 0.089793 -0.039635 -0.332314 0.246332 -0.134423 -0.030691 0.242089 -0.935239 -0.497785 0.060037 0.365861 -0.123985 -0.292332 -0.349305 -0.172353 0.051619 -0.520972 -0.323935 -0.126165 0.215285 -0.384868 -0.636834 0.608276 -0.234510 -0.266601 0.211660 0.178341 0.151339 0.167003 0.161417 0.163034 0.179274 0.169763 0.210343 0.163275 0.179525 0.183299 0.184263 0.176344 0.189706 0.183347 0.188362 0.181484 -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 20 21 22 23 24 25 26 27 Cl O O O O N N N C C C C C C C C C C C C C C C C C C C 0.341023 -0.040148 0.089793 -0.039635 -0.332314 0.246332 -0.134423 -0.030691 0.242089 -0.935239 -0.107784 0.211376 0.532864 -0.123985 -0.292332 -0.187888 -0.009318 0.230893 -0.351209 -0.113592 0.037110 0.215285 -0.205343 -0.453535 0.608276 0.315803 0.286592 0.00000 3.76612674e-01 8.65580587e-01 4.02639764e-01 4.32242362e+02 4.76686709e+01 3.97696730e+02 3.09119518e+01 8.91483296e+00 2.89681080e+02 -9.2974 -0.0015 -0.0011 -0.0008 2.2080 5.8956 13.3145 22.6649 28.4128 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 9.5691 22.2495 28.1838 41.8844 56.9828 61.8958 69.1706 81.9716 83.7508 90.4859 107.9807 136.0257 145.5551 152.9816 165.7417 184.3615 200.0780 216.6434 259.1175 273.3109 286.2543 298.5341 330.2931 335.7816 358.3397 379.3763 387.7305 402.4849 422.0241 456.5285 464.6766 472.0603 505.7535 522.3941 532.1961 551.9465 600.0927 612.1612 637.1798 643.4351 671.5030 703.4185 707.3588 717.8693 743.9885 755.6851 757.7653 762.3505 773.2481 788.1120 825.7890 842.2595 844.9113 870.2609 889.1392 936.2316 953.1427 961.1904 972.4944 983.6080 988.7425 994.3421 1010.1681 1012.1060 1022.1282 1028.0042 1047.8586 1068.7596 1077.6541 1083.5361 1099.3025 1128.6328 1138.8253 1140.5823 1169.5717 1169.7761 1184.4958 1205.2908 1208.8160 1211.2443 1215.7819 1251.5522 1265.9743 1287.6274 1292.0560 1311.9663 1321.1505 1333.6295 1339.8012 1349.8165 1398.9076 1417.4839 1429.5894 1451.9963 1458.7131 1468.2699 1469.4180 1474.2953 1476.1120 1478.4536 1483.6461 1486.9571 1503.3427 1520.6301 1525.8414 1575.1046 1614.8475 1619.2662 1630.8093 1640.0907 1711.1753 3023.2738 3052.2593 3059.3353 3100.4152 3117.8284 3133.7207 3134.3919 3160.3970 3165.3149 3175.7473 3185.6670 3194.0978 3195.8609 3196.4435 3207.8139 3212.4017 3256.4537 3271.7291 7.1370 5.3914 5.1591 4.6514 7.5394 4.7598 3.0661 3.6700 4.6032 6.5960 3.3943 4.8720 2.7715 4.4247 1.6777 1.3156 6.4594 3.3693 3.3007 4.4523 9.3892 6.0821 4.3853 6.0292 5.6016 5.4595 4.1013 6.4379 2.9996 4.0604 3.7751 6.0576 7.3850 3.2734 4.2170 4.4186 4.2284 5.1051 5.4847 6.4260 6.1103 4.2574 3.8792 3.8796 3.1954 2.1695 4.5103 3.7588 2.2394 2.5109 1.2704 4.3478 1.5868 1.3814 1.4207 5.8725 6.8005 1.3294 1.4993 1.3722 5.2028 6.3697 1.3513 2.2033 4.0333 9.1446 2.0406 2.0519 2.2662 3.6373 2.2659 5.1528 1.9939 1.3694 1.2716 1.2682 1.1149 1.1413 1.5703 1.5144 2.5154 2.2383 2.6884 2.9413 1.8790 2.6699 2.8630 1.6471 2.0510 5.1719 2.0145 3.3419 3.3211 3.1947 1.1405 1.0701 1.3269 1.1810 1.2332 1.6226 1.0638 1.0526 2.7892 2.4437 2.7093 5.7333 6.2261 7.2289 5.7856 6.1481 11.2616 1.0298 1.0305 1.0621 1.1084 1.1041 1.1052 1.1065 1.1077 1.0877 1.0900 1.0937 1.0896 1.0978 1.0906 1.0958 1.0950 1.0929 1.1071 0.0004 0.0016 0.0024 0.0048 0.0144 0.0107 0.0086 0.0145 0.0190 0.0318 0.0233 0.0531 0.0346 0.0610 0.0272 0.0263 0.1523 0.0932 0.1306 0.1960 0.4533 0.3194 0.2819 0.4005 0.4238 0.4630 0.3633 0.6145 0.3148 0.4986 0.4803 0.7953 1.1130 0.5263 0.7037 0.7931 0.8972 1.1272 1.3120 1.5675 1.6233 1.2411 1.1436 1.1779 1.0421 0.7299 1.5259 1.2871 0.7889 0.9189 0.5104 1.8172 0.6674 0.6164 0.6617 3.0328 3.6401 0.7236 0.8355 0.7822 2.9968 3.7105 0.8124 1.3297 2.4827 5.6938 1.3201 1.3809 1.5506 2.5161 1.6133 3.8672 1.5236 1.0496 1.0249 1.0224 0.9216 0.9769 1.3519 1.3090 2.1907 2.0657 2.5386 2.8732 1.8482 2.7076 2.9443 1.7260 2.1692 5.5520 2.3227 3.9562 3.9990 3.9684 1.4298 1.3592 1.6881 1.5124 1.5832 2.0897 1.3796 1.3712 3.7141 3.3292 3.7165 8.3806 9.5659 11.1675 9.0658 9.7437 19.4285 5.5456 5.6562 5.8570 6.2773 6.3234 6.3947 6.4047 6.5187 6.4209 6.4770 6.5398 6.5493 6.6063 6.5653 6.6433 6.6576 6.8283 6.9822 0.2592 1.1447 2.6553 1.0784 1.0222 1.0593 7.2020 4.1019 0.2348 6.3000 7.9264 8.4241 0.3434 5.7357 0.3534 0.8478 3.8546 4.3167 3.3468 6.9325 0.9858 1.6148 26.3167 10.1150 17.9061 10.8052 3.6657 9.8656 0.4614 1.1752 33.0542 8.9205 67.6287 26.3064 17.4504 2.4199 5.3438 1.3672 10.8701 4.2685 21.7488 0.7654 0.9161 1.2635 39.8681 170.1981 40.0069 1.2122 47.7184 38.7896 8.0799 16.5506 86.9409 0.7073 3.4549 16.7578 114.7007 0.2264 13.6209 0.7000 27.6094 21.7141 1.4156 23.7021 22.7154 57.6595 118.8803 7.6442 108.5170 15.8436 58.8594 233.8516 97.2431 15.6231 4.6576 0.4781 0.4880 2.6662 62.7300 2.9028 20.4588 57.4198 84.7728 42.6460 63.4394 129.7513 0.8123 9.2888 13.1423 315.1003 353.8213 86.1475 27.4994 35.9664 3.0122 8.4844 46.1933 63.6576 58.7750 2.1992 17.2907 12.7845 284.6371 50.7659 263.2919 538.4871 7.5179 5.0180 25.4251 24.9011 975.3200 47.2577 43.5977 42.8028 35.1970 9.2111 17.1941 24.0804 11.7702 2.9191 7.8835 18.3119 3.7876 8.9408 0.3344 0.3749 0.8332 1.9505 3.6820 -0.13 0.00 0.14 -0.06 -0.00 -0.07 0.06 -0.02 0.10 0.16 0.02 -0.04 0.14 0.01 0.08 -0.07 -0.01 -0.06 0.11 -0.01 0.02 -0.06 -0.01 -0.05 -0.00 0.00 -0.06 0.08 -0.00 -0.03 -0.06 0.00 -0.05 -0.03 0.01 -0.10 0.14 -0.00 -0.04 -0.06 -0.01 -0.08 -0.08 -0.01 -0.01 0.03 0.01 -0.11 0.11 0.00 -0.08 -0.06 -0.02 -0.08 -0.06 -0.01 -0.09 -0.11 -0.02 0.04 -0.07 0.01 -0.02 0.14 0.01 0.02 -0.12 -0.02 0.09 -0.09 0.01 0.03 -0.11 -0.00 0.08 0.11 -0.00 0.16 0.20 0.03 -0.05 -0.08 0.02 -0.01 -0.09 -0.00 -0.08 -0.10 0.01 -0.13 0.21 -0.01 -0.01 0.00 0.01 -0.15 0.16 -0.00 -0.09 -0.07 -0.02 -0.09 -0.06 -0.01 -0.11 -0.12 -0.03 0.05 -0.05 0.02 -0.07 -0.14 -0.03 0.13 -0.08 0.02 0.02 0.17 0.02 0.18 0.12 0.00 0.14 0.06 -0.01 0.22 0.26 0.06 -0.01 0.22 0.03 -0.12 0.16 0.02 -0.03 -0.06 0.09 -0.05 -0.01 0.01 -0.07 0.04 0.03 -0.03 -0.02 -0.11 0.02 -0.09 -0.01 0.00 -0.04 0.01 0.02 0.05 -0.03 -0.03 -0.02 -0.01 -0.05 0.06 -0.02 -0.01 0.09 -0.05 0.00 0.01 0.02 -0.03 0.09 -0.03 0.02 0.16 -0.09 0.03 -0.03 0.00 -0.02 -0.04 0.02 0.01 0.16 -0.08 0.05 0.20 -0.11 0.06 -0.06 0.03 0.08 -0.05 0.02 0.06 -0.04 0.05 -0.12 -0.05 0.01 0.13 -0.03 -0.04 0.00 -0.04 0.07 -0.14 -0.06 0.03 0.11 -0.05 0.06 -0.02 0.06 0.09 -0.03 -0.11 -0.13 0.06 -0.00 0.05 -0.01 -0.01 0.03 -0.04 0.07 -0.01 0.01 0.18 -0.11 0.04 0.19 -0.09 0.07 0.25 -0.15 0.09 -0.08 0.04 0.14 -0.06 0.03 0.09 -0.03 0.06 -0.21 -0.05 -0.02 0.24 -0.04 0.10 -0.24 -0.06 0.02 0.20 0.03 0.10 -0.03 0.12 0.09 -0.03 0.05 0.14 -0.03 -0.14 -0.07 0.05 -0.09 -0.19 0.08 -0.15 -0.15 0.09 0.04 -0.09 -0.03 0.01 0.07 -0.10 0.06 -0.11 -0.04 0.06 0.03 0.01 0.10 -0.03 0.03 -0.04 0.04 0.05 0.06 -0.06 -0.05 -0.00 0.05 -0.03 -0.02 0.05 -0.02 -0.00 -0.02 -0.02 0.02 0.08 -0.06 -0.08 0.09 0.02 -0.05 -0.03 0.01 -0.02 0.07 -0.04 -0.03 0.01 0.03 -0.13 0.07 0.04 -0.11 0.01 0.04 -0.08 0.06 0.08 -0.07 0.08 0.03 0.04 0.04 -0.11 -0.07 -0.05 0.16 0.07 -0.02 0.00 0.06 0.01 -0.13 -0.05 -0.08 0.15 0.01 -0.05 -0.00 0.05 -0.15 -0.03 0.07 0.07 0.06 0.03 0.10 -0.09 0.04 0.12 -0.03 -0.09 0.14 0.02 -0.04 -0.09 0.01 -0.17 0.11 0.07 -0.15 -0.01 0.06 -0.12 0.06 0.14 -0.09 0.10 0.05 0.07 0.09 -0.21 -0.11 -0.08 0.28 0.10 0.04 -0.24 -0.09 -0.13 0.25 0.07 -0.16 -0.03 0.00 -0.15 -0.03 0.05 -0.19 -0.02 0.06 0.10 0.06 0.06 0.11 0.06 0.10 0.05 0.10 0.01 -0.01 -0.09 0.00 0.03 -0.08 0.07 -0.06 -0.07 -0.00 -0.00 0.06 0.00 -0.00 0.04 -0.05 0.03 0.08 0.05 -0.05 -0.06 -0.02 0.03 0.01 0.01 0.01 -0.04 0.04 -0.03 -0.03 0.02 0.03 -0.06 -0.01 0.03 -0.02 0.05 -0.06 -0.01 -0.02 0.03 -0.00 -0.04 0.02 0.07 0.00 0.00 0.00 0.04 -0.04 0.01 -0.07 0.04 0.11 -0.05 0.04 0.06 -0.05 -0.02 0.24 -0.02 0.05 -0.13 0.02 -0.01 0.02 -0.04 -0.03 0.20 -0.00 0.03 -0.17 -0.01 -0.00 -0.01 0.06 -0.04 -0.11 -0.04 0.02 0.13 0.03 0.05 -0.08 0.04 0.04 -0.05 -0.03 0.06 -0.02 0.07 -0.09 -0.01 -0.01 0.01 0.02 0.05 -0.06 0.03 -0.08 0.06 0.17 -0.06 0.05 0.07 -0.07 -0.05 0.39 -0.03 0.08 -0.27 -0.04 -0.06 0.33 0.02 0.06 -0.33 0.03 -0.01 -0.10 0.06 -0.04 -0.14 0.07 -0.05 -0.12 -0.10 0.04 0.10 -0.06 0.03 0.18 -0.01 0.01 0.15 0.03 -0.09 0.20 -0.00 -0.01 -0.02 -0.01 -0.04 0.03 -0.04 -0.04 0.08 -0.11 0.03 0.17 0.05 0.08 -0.15 0.01 -0.05 -0.02 0.03 0.04 -0.18 -0.06 -0.02 -0.04 0.01 -0.05 -0.02 -0.07 -0.03 -0.03 -0.10 -0.00 -0.06 0.04 -0.07 -0.01 0.02 0.04 -0.03 0.06 0.08 -0.18 -0.07 -0.02 -0.05 0.00 -0.05 -0.03 0.04 0.11 0.03 0.02 0.08 0.11 0.08 0.07 -0.15 0.05 0.06 -0.19 -0.05 -0.02 0.09 0.08 0.03 -0.07 0.04 0.02 -0.11 0.05 -0.00 -0.02 0.02 0.04 0.02 -0.12 -0.01 0.18 -0.09 -0.07 0.01 -0.11 -0.01 -0.06 -0.15 0.02 -0.08 0.09 -0.08 0.01 -0.10 0.00 -0.07 0.03 -0.06 -0.02 0.05 0.15 0.09 0.00 0.09 0.24 0.09 0.09 -0.16 0.03 0.08 -0.24 0.09 0.02 -0.02 0.03 -0.01 -0.09 0.03 0.11 0.06 0.07 0.05 -0.04 -0.00 0.03 0.06 -0.17 0.06 0.16 -0.12 -0.03 0.21 -0.11 -0.05 0.24 0.07 -0.02 -0.04 0.03 -0.01 -0.04 -0.07 0.06 0.07 0.03 -0.14 -0.11 -0.09 -0.01 0.00 -0.00 0.05 0.10 0.03 -0.04 -0.04 0.01 0.04 0.05 -0.03 -0.00 -0.06 0.02 -0.03 -0.04 -0.01 -0.02 -0.05 -0.11 0.03 -0.08 0.01 -0.03 -0.04 0.02 0.02 0.01 0.00 0.04 0.09 -0.13 0.04 -0.09 -0.06 0.01 -0.06 0.01 0.04 0.07 0.02 0.03 0.02 0.03 0.04 0.09 -0.01 0.02 0.07 -0.02 -0.05 -0.05 0.05 0.02 0.06 0.01 -0.00 0.04 0.04 0.00 0.03 0.04 0.14 0.20 -0.02 -0.17 -0.11 -0.01 -0.04 -0.05 -0.01 -0.01 -0.05 -0.15 0.06 -0.09 0.06 -0.05 -0.03 -0.19 0.08 -0.10 -0.07 0.01 -0.07 -0.00 0.05 0.10 0.03 0.02 -0.01 0.04 0.05 0.11 -0.03 0.02 0.07 0.08 0.02 0.05 0.00 -0.01 0.01 0.12 0.15 0.22 0.14 0.14 0.20 -0.05 0.20 0.30 0.06 -0.03 -0.04 0.05 -0.29 -0.25 -0.21 -0.22 -0.05 -0.02 0.02 -0.01 0.00 -0.01 0.01 0.04 -0.05 0.01 0.03 -0.02 0.02 0.02 -0.02 0.07 0.01 -0.03 -0.01 0.03 -0.04 0.02 -0.00 -0.02 0.02 -0.01 -0.01 0.02 0.01 -0.03 0.03 0.01 -0.00 0.02 -0.06 0.02 0.02 -0.03 -0.02 0.03 0.00 -0.02 -0.01 0.00 -0.03 -0.00 -0.10 0.03 0.02 -0.08 0.01 0.02 0.01 -0.04 -0.06 0.01 -0.03 -0.05 -0.01 -0.02 -0.01 0.01 -0.02 0.01 0.02 -0.02 0.05 -0.02 -0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.07 0.27 -0.19 0.05 -0.02 0.01 0.02 0.00 0.00 0.02 0.00 0.03 -0.07 0.04 0.02 -0.02 -0.03 0.03 -0.15 0.06 0.01 -0.11 0.02 0.02 0.02 -0.05 -0.09 0.02 -0.04 -0.08 -0.01 -0.03 -0.02 0.02 -0.02 0.02 -0.02 -0.01 -0.02 0.00 0.00 0.02 -0.05 0.54 -0.08 0.21 0.29 -0.46 0.08 0.22 -0.18 0.07 -0.03 0.01 0.05 -0.00 -0.00 0.06 -0.01 -0.00 0.03 -0.02 -0.01 -0.03 -0.01 0.05 0.06 0.02 -0.01 -0.06 0.00 0.18 0.04 -0.05 -0.13 -0.01 0.03 0.02 0.02 0.02 0.05 -0.04 0.04 0.10 -0.05 0.01 -0.01 0.04 0.01 0.02 -0.07 -0.02 0.02 -0.11 0.02 -0.08 0.11 0.01 0.00 -0.01 0.01 0.02 -0.01 0.02 0.02 -0.05 0.04 -0.10 0.07 0.02 -0.06 0.04 -0.00 -0.11 0.04 -0.02 -0.12 0.01 0.03 -0.00 -0.02 0.01 0.04 0.01 -0.01 0.01 0.02 0.02 -0.01 -0.01 -0.01 0.04 0.01 -0.00 0.01 0.02 -0.04 -0.03 -0.08 -0.08 0.09 -0.08 -0.05 0.05 -0.10 -0.03 -0.01 -0.19 0.03 -0.11 0.19 0.02 0.04 -0.10 0.05 -0.16 0.12 0.03 -0.07 0.06 -0.03 -0.20 0.07 -0.04 -0.21 0.02 0.05 -0.02 -0.03 0.00 0.06 0.04 0.02 -0.03 -0.02 -0.02 0.05 -0.01 -0.10 -0.06 -0.00 -0.04 0.04 0.06 -0.01 -0.08 -0.27 -0.39 -0.08 -0.19 0.02 0.40 0.19 0.06 -0.12 -0.05 0.07 -0.02 0.06 0.03 -0.07 0.01 0.05 0.01 -0.03 -0.01 0.09 -0.08 0.05 0.07 0.04 -0.09 -0.06 0.08 -0.02 -0.07 0.05 -0.06 -0.04 0.10 0.03 -0.01 0.05 0.01 -0.03 0.14 0.05 -0.04 0.04 0.07 0.02 -0.06 0.03 -0.03 0.03 -0.03 -0.06 0.02 -0.09 -0.01 -0.08 0.09 0.02 -0.13 0.08 -0.01 0.01 -0.08 -0.09 0.00 -0.04 -0.09 -0.02 -0.09 -0.00 0.04 -0.05 0.01 -0.02 0.02 0.03 -0.05 -0.05 0.00 0.02 -0.01 0.01 -0.02 -0.01 0.00 0.07 -0.04 0.18 -0.12 -0.03 0.15 0.16 0.10 -0.10 0.19 0.05 0.01 0.07 0.09 0.03 -0.09 0.01 -0.04 -0.13 0.13 0.03 -0.22 0.10 -0.01 -0.01 -0.11 -0.11 -0.01 -0.03 -0.12 -0.04 -0.11 -0.01 0.07 -0.06 0.01 -0.08 -0.04 0.00 0.04 0.02 0.02 0.17 -0.14 0.14 0.07 -0.05 0.28 0.00 0.02 0.23 -0.26 -0.09 0.05 -0.17 -0.01 0.32 -0.01 -0.00 0.11 0.06 -0.01 -0.05 0.01 0.00 -0.07 -0.05 -0.08 -0.00 -0.03 0.05 -0.01 -0.14 0.11 0.31 0.00 0.05 0.02 -0.05 -0.03 -0.04 -0.02 0.07 0.09 -0.05 -0.01 -0.04 -0.05 -0.03 -0.04 -0.05 0.00 -0.05 0.01 -0.04 -0.01 0.01 -0.07 -0.01 0.03 0.03 -0.08 -0.00 0.03 0.06 0.08 -0.09 0.02 0.09 -0.11 0.02 0.06 -0.00 -0.21 0.08 -0.01 -0.27 0.02 0.03 0.06 -0.02 0.01 0.10 -0.08 0.05 0.11 0.04 0.02 0.04 -0.01 -0.01 0.09 0.03 0.00 0.04 -0.06 -0.07 -0.02 0.02 0.08 -0.01 -0.06 -0.03 -0.02 -0.08 0.04 -0.06 0.01 -0.03 -0.01 0.02 -0.08 -0.01 0.14 -0.11 0.05 0.15 -0.15 0.05 0.08 -0.04 -0.31 0.13 -0.06 -0.44 0.04 0.05 0.04 -0.03 0.01 0.12 0.06 0.02 0.02 -0.02 -0.03 0.10 -0.03 -0.02 0.01 -0.09 -0.06 -0.08 -0.06 -0.14 0.01 0.10 0.13 0.04 0.05 0.08 -0.12 -0.04 0.06 0.02 0.02 -0.02 -0.01 0.01 -0.02 -0.07 -0.10 -0.02 0.07 -0.05 0.08 0.05 0.10 -0.08 -0.11 -0.01 0.03 0.01 -0.02 -0.05 -0.05 -0.00 0.01 -0.02 -0.00 -0.04 -0.02 -0.05 -0.03 -0.04 -0.01 -0.01 -0.04 0.06 -0.06 0.02 -0.07 -0.04 -0.03 0.01 -0.00 -0.04 -0.01 0.03 0.01 0.06 -0.08 0.04 -0.02 -0.07 0.01 0.00 0.02 0.00 0.01 0.01 -0.03 0.00 0.03 0.02 -0.01 0.02 0.01 0.01 -0.02 -0.04 0.01 0.01 0.01 -0.01 0.00 0.01 0.01 0.00 0.01 0.01 0.16 0.14 -0.00 0.13 0.08 -0.01 -0.01 -0.03 -0.02 0.01 -0.05 0.12 -0.07 0.04 -0.12 -0.04 -0.05 0.13 -0.11 0.08 -0.03 -0.08 0.03 0.00 0.03 0.02 0.02 -0.00 -0.04 0.01 0.03 0.02 -0.02 0.02 0.01 0.02 0.01 0.01 -0.01 -0.00 0.00 0.10 0.31 0.23 0.11 0.17 -0.03 -0.09 0.13 0.28 -0.17 -0.09 -0.06 -0.13 0.32 0.34 0.32 0.21 -0.01 -0.01 -0.07 0.06 -0.01 -0.03 -0.04 0.05 -0.03 -0.00 -0.01 -0.01 0.10 -0.02 0.02 0.07 -0.08 0.06 0.13 0.05 -0.01 -0.01 -0.09 0.02 0.12 0.12 -0.04 0.01 0.03 -0.00 -0.02 0.09 -0.01 -0.01 0.17 -0.07 0.04 -0.11 0.07 -0.06 -0.04 -0.03 0.02 -0.06 0.08 0.01 0.07 -0.01 0.00 -0.12 0.07 -0.05 -0.00 0.02 0.02 0.02 -0.03 -0.04 -0.02 0.10 -0.05 -0.07 0.07 -0.06 0.01 0.01 0.05 0.01 0.07 -0.10 -0.05 0.04 -0.11 -0.02 0.04 -0.08 0.05 -0.02 -0.01 0.04 -0.14 -0.10 0.10 0.08 -0.04 0.13 -0.04 0.02 0.28 -0.12 0.07 -0.22 0.12 -0.09 0.10 -0.03 0.02 -0.24 0.13 -0.09 0.02 0.04 0.00 0.07 -0.08 -0.12 -0.00 0.12 -0.04 -0.10 0.07 -0.06 0.04 0.08 -0.11 -0.06 0.02 -0.13 0.07 0.01 0.01 0.04 -0.02 -0.05 0.04 -0.06 0.01 0.04 -0.37 -0.13 0.02 -0.14 -0.01 0.09 -0.02 -0.29 -0.01 -0.02 0.03 -0.02 -0.01 0.04 0.01 0.02 -0.02 0.06 -0.05 -0.13 0.02 -0.02 -0.05 -0.03 0.01 0.07 0.01 -0.01 -0.02 -0.05 0.01 0.13 0.02 0.00 0.01 0.01 -0.00 0.00 0.03 -0.01 0.02 0.01 0.01 0.01 0.01 -0.01 0.01 -0.02 -0.02 0.03 -0.02 0.02 0.01 -0.01 0.01 0.01 -0.00 -0.00 0.01 0.02 -0.03 -0.05 0.03 -0.05 -0.08 -0.00 0.03 -0.03 -0.02 0.02 -0.03 0.03 -0.03 -0.06 0.01 0.03 -0.06 -0.01 0.02 -0.06 -0.00 0.02 -0.05 0.02 0.01 0.01 -0.08 0.10 0.17 0.04 0.01 -0.01 0.06 -0.04 0.03 0.01 0.02 0.01 0.01 -0.02 0.01 -0.02 0.01 0.02 -0.01 -0.00 0.01 0.05 -0.04 -0.13 0.07 -0.08 -0.17 -0.00 0.03 -0.03 -0.02 0.02 -0.02 0.01 0.03 -0.07 -0.01 0.01 -0.07 0.01 -0.04 -0.01 0.04 0.00 0.07 0.01 0.07 -0.00 -0.03 0.55 0.28 0.02 -0.02 -0.05 -0.32 -0.12 0.51 -0.04 0.03 0.07 0.02 0.03 0.05 -0.04 0.00 -0.05 -0.06 0.08 0.01 -0.03 0.02 0.02 -0.01 -0.05 0.12 0.00 -0.03 -0.12 -0.00 -0.02 0.17 -0.04 0.05 -0.06 -0.00 -0.02 -0.06 0.07 0.02 -0.05 -0.10 0.10 -0.03 0.08 -0.11 0.02 -0.01 0.00 0.10 0.02 -0.06 0.01 -0.05 0.03 0.04 0.08 -0.10 0.07 -0.02 -0.06 0.04 -0.02 -0.02 0.04 0.02 -0.04 -0.06 0.04 -0.03 -0.05 -0.04 0.02 -0.02 0.01 -0.01 -0.11 0.05 0.01 -0.11 0.02 0.00 -0.10 0.01 0.01 0.05 0.06 0.06 -0.12 0.12 0.00 -0.18 0.18 -0.03 0.02 -0.16 0.19 -0.04 0.15 -0.20 0.03 -0.09 0.06 0.07 0.17 -0.18 0.14 -0.02 -0.09 -0.01 -0.03 -0.02 -0.01 0.01 -0.06 -0.05 0.05 -0.04 -0.03 -0.00 -0.01 -0.13 0.06 0.02 -0.12 0.07 -0.00 0.05 0.04 0.01 0.06 -0.05 0.04 0.10 0.02 -0.22 -0.20 -0.03 0.21 0.03 0.29 0.18 -0.29 -0.00 0.01 0.01 0.01 0.00 -0.03 -0.01 -0.00 0.00 -0.08 0.06 0.15 0.02 -0.03 -0.06 0.00 -0.01 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.01 0.01 -0.02 -0.01 0.00 -0.01 0.01 -0.01 -0.00 0.01 0.00 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.02 0.01 0.03 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.01 0.02 0.03 0.00 -0.01 0.01 0.00 -0.02 0.01 0.02 -0.01 -0.01 0.01 -0.01 0.01 -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 -0.03 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.03 0.02 0.03 0.02 0.01 0.01 -0.01 0.01 0.04 0.41 0.27 0.27 0.23 -0.23 -0.53 -0.48 -0.09 0.09 0.00 -0.02 -0.00 0.01 -0.03 -0.03 0.01 0.06 -0.03 -0.02 0.02 0.01 -0.01 -0.01 0.02 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.03 0.02 -0.03 0.02 0.02 -0.02 0.02 0.01 -0.02 0.01 -0.01 -0.01 0.01 0.01 -0.02 0.02 0.01 -0.03 -0.02 -0.01 0.02 0.00 -0.03 -0.00 0.00 -0.02 -0.01 0.01 0.01 0.00 0.01 0.02 -0.02 -0.01 -0.01 0.02 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.01 0.01 0.00 0.00 0.03 -0.00 0.04 0.05 -0.01 0.00 -0.01 0.02 -0.00 -0.00 0.00 -0.02 -0.01 0.01 0.02 -0.03 0.02 -0.06 0.01 -0.00 -0.03 0.00 0.00 0.01 0.02 0.04 0.03 -0.03 0.00 -0.01 0.02 0.00 -0.02 0.02 -0.00 -0.00 0.01 0.01 -0.02 0.01 0.00 -0.28 -0.37 -0.25 0.22 -0.05 0.50 0.08 0.52 -0.27 0.06 0.00 -0.01 0.02 0.10 -0.01 0.10 0.06 -0.02 0.02 -0.07 -0.08 -0.10 0.00 0.28 0.02 -0.02 -0.09 -0.04 0.03 0.02 -0.02 0.01 -0.00 0.03 0.04 -0.20 0.07 -0.06 -0.16 -0.07 0.02 -0.00 0.06 0.03 -0.05 0.04 -0.03 -0.08 0.10 -0.05 0.02 0.05 0.04 -0.01 -0.01 -0.07 -0.03 -0.07 -0.01 0.17 -0.03 0.08 -0.10 -0.00 0.01 0.04 -0.03 -0.05 0.03 0.09 0.03 -0.12 0.02 0.00 0.13 -0.05 0.06 -0.01 -0.05 0.05 0.00 -0.01 -0.00 -0.04 -0.06 0.03 0.12 -0.08 0.01 0.13 -0.07 0.01 0.13 0.10 -0.00 0.04 0.02 0.02 -0.04 0.16 0.02 -0.14 0.26 -0.24 0.09 0.07 0.09 0.01 -0.03 -0.12 -0.05 -0.01 0.03 0.10 -0.06 -0.07 0.06 0.17 0.04 -0.24 0.05 -0.02 0.23 -0.04 0.07 -0.04 -0.05 0.06 -0.03 -0.05 0.02 0.15 -0.09 -0.00 0.17 0.22 0.01 0.06 0.13 -0.00 0.03 0.01 0.01 0.15 0.10 0.02 0.01 0.04 0.01 -0.12 -0.03 0.03 -0.05 -0.00 0.08 0.02 -0.04 0.08 0.07 0.00 -0.07 0.00 0.04 -0.03 0.02 0.04 -0.02 0.03 -0.00 0.00 -0.01 0.03 -0.05 -0.04 -0.01 0.08 0.08 -0.06 0.03 -0.05 -0.06 0.00 -0.05 -0.10 0.03 -0.02 0.05 -0.03 -0.03 -0.11 0.03 -0.07 -0.04 0.11 0.08 0.03 -0.06 -0.01 0.10 -0.06 -0.01 -0.04 -0.01 -0.05 -0.05 0.01 -0.05 -0.07 0.09 0.02 0.05 -0.06 -0.00 0.04 -0.06 -0.00 0.04 -0.02 0.00 0.04 -0.06 -0.00 0.05 -0.05 -0.00 0.05 -0.04 -0.00 0.05 0.03 0.00 -0.01 -0.07 0.02 -0.12 -0.01 0.03 -0.15 0.01 -0.07 0.10 -0.07 -0.01 -0.16 0.06 -0.09 0.21 -0.12 0.04 -0.05 -0.00 -0.05 -0.06 -0.04 -0.14 -0.11 0.12 -0.01 0.05 -0.06 0.00 0.05 -0.06 0.01 0.03 -0.06 -0.00 0.05 -0.05 -0.00 -0.20 -0.22 -0.16 0.30 -0.03 0.33 0.08 0.44 -0.18 -0.02 -0.03 0.03 0.01 -0.12 0.02 -0.07 -0.07 0.03 -0.02 -0.05 -0.02 0.05 0.03 0.00 -0.07 -0.09 0.12 0.06 0.01 0.02 0.10 0.01 0.01 0.03 -0.01 -0.01 -0.05 0.03 0.07 0.03 -0.02 -0.00 -0.06 0.04 -0.05 -0.09 0.03 -0.05 0.18 0.02 -0.08 -0.06 0.05 -0.02 -0.03 0.02 -0.04 0.03 -0.01 0.01 -0.00 0.02 -0.00 0.03 0.01 0.00 0.07 -0.03 0.01 0.04 -0.01 0.00 0.03 -0.01 0.01 -0.04 0.02 -0.01 -0.01 0.02 -0.00 0.05 0.04 0.03 -0.05 0.04 0.00 -0.03 0.03 0.01 -0.05 0.03 0.00 -0.10 0.02 -0.02 -0.08 -0.10 0.02 0.27 0.04 -0.36 0.40 -0.02 0.09 -0.07 0.07 -0.02 -0.02 0.01 -0.04 0.09 -0.03 0.02 0.17 -0.09 0.05 0.04 -0.01 -0.00 0.03 -0.01 0.02 -0.05 0.00 -0.02 -0.01 0.02 -0.01 -0.05 0.04 -0.00 -0.02 0.05 0.02 -0.35 -0.07 -0.10 0.05 -0.01 0.12 -0.01 0.23 -0.20 -0.13 -0.04 -0.01 -0.04 -0.23 0.05 -0.19 -0.09 0.00 -0.04 0.04 -0.01 0.00 0.06 -0.02 -0.06 0.01 0.07 -0.06 -0.09 -0.01 -0.06 -0.12 -0.00 -0.01 0.06 -0.02 -0.06 -0.02 0.11 -0.03 0.09 0.07 0.10 -0.06 0.03 0.07 -0.08 0.03 0.18 0.04 -0.05 0.07 -0.05 -0.01 0.11 -0.03 -0.03 -0.03 0.08 0.06 0.01 0.01 -0.04 -0.03 0.04 -0.09 -0.00 0.03 -0.09 -0.01 0.06 -0.05 -0.03 0.08 0.02 0.03 -0.00 -0.02 -0.01 -0.03 -0.03 -0.07 -0.11 0.03 0.03 -0.05 0.02 0.00 -0.07 0.02 0.01 -0.08 0.03 -0.13 -0.01 -0.02 0.12 0.07 0.04 0.25 0.17 -0.24 0.35 0.00 0.08 0.08 -0.10 -0.01 0.14 0.01 -0.00 -0.12 0.08 -0.14 -0.07 0.07 -0.11 0.00 0.03 -0.12 -0.04 0.09 0.01 0.05 0.02 -0.03 -0.04 -0.02 -0.05 0.06 -0.06 0.04 -0.01 -0.10 0.03 -0.18 0.04 -0.01 -0.19 0.01 -0.08 -0.06 -0.09 -0.08 0.17 0.05 0.07 0.06 0.26 -0.01 0.26 0.04 0.10 0.30 0.07 0.08 -0.19 0.01 -0.03 -0.03 -0.01 0.04 0.01 -0.01 0.00 0.02 -0.01 0.00 -0.11 -0.12 -0.08 -0.02 0.01 0.04 -0.16 -0.14 -0.07 0.03 -0.01 -0.01 0.01 -0.01 -0.01 0.08 0.03 -0.06 0.02 0.01 0.00 0.03 -0.02 -0.01 -0.21 -0.10 -0.02 -0.06 -0.04 -0.01 -0.02 0.02 -0.00 0.00 0.00 0.00 -0.19 -0.13 -0.07 -0.23 -0.10 -0.01 0.02 -0.03 0.01 0.04 0.09 0.04 0.00 -0.00 0.01 0.04 0.05 0.02 0.05 0.15 0.01 0.14 0.16 0.03 -0.06 -0.00 -0.01 0.00 -0.01 0.01 0.17 0.21 -0.28 0.29 -0.06 0.08 0.02 0.03 0.01 0.04 -0.03 -0.01 -0.05 0.04 -0.01 -0.01 -0.01 0.01 -0.21 -0.16 -0.12 -0.24 -0.09 0.02 0.05 0.01 0.02 0.15 0.07 0.09 -0.08 0.06 0.01 0.04 0.12 -0.01 -0.11 0.00 -0.02 -0.07 -0.00 -0.01 -0.02 -0.00 -0.06 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.02 0.14 -0.01 -0.06 -0.12 -0.08 0.01 0.04 -0.00 0.06 0.09 -0.00 0.10 0.08 0.01 -0.08 0.10 0.04 0.00 0.05 -0.00 -0.14 0.00 0.01 0.02 -0.04 -0.00 -0.00 0.01 -0.01 0.05 -0.07 -0.02 -0.03 -0.00 0.03 -0.00 -0.03 0.03 -0.07 -0.10 -0.03 -0.01 0.06 -0.11 -0.06 -0.01 0.05 -0.00 -0.04 0.07 0.02 0.07 0.05 0.05 -0.07 -0.01 0.11 0.04 -0.07 -0.06 -0.02 -0.11 0.06 0.10 -0.01 0.14 -0.14 0.07 0.00 -0.19 0.05 0.08 -0.20 0.13 -0.01 0.00 -0.00 -0.11 -0.05 -0.04 0.09 0.01 -0.12 0.15 -0.09 0.05 -0.03 0.05 0.04 -0.01 -0.09 0.02 -0.09 0.01 0.05 0.02 -0.05 0.09 0.07 0.14 0.09 0.14 -0.14 -0.00 0.17 0.14 -0.08 -0.13 0.00 -0.18 0.23 -0.15 0.11 -0.06 -0.29 0.04 0.00 -0.01 -0.01 -0.04 0.01 0.00 0.00 -0.02 -0.01 -0.18 -0.02 -0.07 -0.06 -0.23 0.03 -0.24 -0.03 -0.09 -0.02 -0.01 0.02 -0.02 0.02 0.07 -0.07 -0.01 0.02 0.03 0.12 -0.02 0.15 0.01 0.06 0.02 0.01 -0.04 -0.03 -0.00 -0.03 0.03 0.04 -0.03 0.14 -0.06 0.01 0.09 -0.07 -0.02 -0.04 -0.01 0.03 0.14 -0.06 0.02 0.14 -0.14 0.02 0.01 0.06 0.01 -0.01 -0.02 0.07 -0.12 0.03 -0.03 -0.08 -0.03 -0.02 -0.01 0.02 -0.04 -0.02 0.06 -0.01 -0.02 -0.02 0.08 -0.01 -0.02 0.08 0.03 0.06 -0.02 0.00 0.01 -0.05 0.01 0.01 -0.04 0.01 0.03 -0.11 -0.10 0.00 -0.01 -0.16 -0.03 -0.07 -0.10 0.02 0.20 -0.16 -0.05 -0.08 0.19 -0.07 0.04 0.21 -0.20 0.04 -0.31 0.14 -0.05 -0.21 0.02 -0.04 -0.03 0.00 -0.05 -0.05 0.08 -0.01 -0.03 -0.04 0.12 -0.02 -0.03 0.12 0.00 0.01 -0.05 0.01 0.02 -0.05 -0.16 0.00 -0.02 -0.10 0.00 -0.01 -0.06 0.00 -0.06 -0.23 0.01 -0.10 -0.10 -0.23 -0.01 -0.32 -0.01 -0.12 -0.03 0.05 0.05 -0.09 0.02 0.24 0.00 -0.06 0.01 -0.03 -0.04 0.02 -0.06 -0.02 -0.02 -0.03 0.06 -0.03 0.01 -0.02 -0.01 0.01 -0.02 -0.24 -0.01 0.04 -0.01 -0.03 0.02 -0.01 0.09 -0.03 0.03 -0.03 0.05 -0.02 -0.04 0.04 -0.03 0.02 -0.05 -0.15 -0.06 0.04 0.15 0.04 0.02 -0.00 0.04 0.00 -0.00 -0.00 0.07 0.04 0.05 -0.03 -0.13 0.02 0.03 0.17 -0.10 -0.02 0.13 -0.02 -0.03 0.00 0.11 -0.04 -0.07 -0.00 -0.09 -0.10 0.09 -0.06 -0.20 0.03 -0.00 0.01 0.05 0.02 0.02 0.17 0.04 -0.17 0.27 -0.17 0.14 -0.04 0.05 -0.03 -0.05 0.06 -0.03 0.10 -0.01 0.02 0.09 -0.03 0.02 -0.04 0.13 0.22 0.07 -0.05 -0.08 0.05 0.08 0.27 -0.20 -0.03 0.17 0.21 -0.04 -0.08 -0.05 -0.16 -0.14 0.01 -0.00 0.00 0.09 -0.01 0.02 0.02 0.05 0.01 0.09 -0.01 0.04 0.03 0.09 -0.01 0.11 0.01 0.04 -0.02 -0.01 0.03 0.01 -0.06 -0.12 0.08 0.25 -0.07 0.06 -0.01 0.02 0.02 0.05 -0.01 0.04 0.02 -0.14 0.01 0.07 0.08 -0.03 0.06 0.03 -0.09 -0.08 -0.03 -0.01 -0.02 0.01 0.06 -0.06 -0.10 -0.10 -0.08 0.00 -0.10 -0.03 0.01 -0.03 0.05 0.11 -0.01 -0.01 0.08 -0.02 -0.14 0.05 -0.05 -0.07 0.04 0.04 0.02 -0.13 -0.03 0.07 0.13 -0.02 -0.03 0.13 -0.02 -0.03 0.12 0.04 0.03 0.02 0.02 0.00 -0.05 0.01 -0.01 -0.05 0.03 0.02 -0.17 0.01 0.01 -0.01 0.04 -0.03 0.03 0.13 -0.04 -0.31 0.22 -0.03 0.04 -0.10 -0.04 0.01 -0.18 -0.05 -0.03 0.05 -0.19 0.05 -0.02 -0.06 0.03 0.10 -0.01 -0.29 -0.03 0.07 0.17 -0.03 -0.04 0.21 -0.04 -0.05 0.21 0.03 -0.00 -0.04 0.00 -0.02 -0.03 0.19 -0.00 0.01 -0.22 0.04 -0.04 0.02 -0.20 0.06 0.02 -0.02 0.03 0.04 -0.05 0.05 0.03 -0.03 0.03 0.00 -0.01 -0.02 -0.04 0.06 0.19 -0.01 0.26 -0.03 0.06 -0.05 0.07 0.05 -0.00 0.03 -0.02 -0.01 0.12 0.02 0.03 0.03 0.06 0.00 -0.04 -0.01 0.00 -0.11 0.05 -0.06 -0.09 -0.03 -0.03 -0.07 0.01 0.01 -0.03 -0.06 -0.10 -0.07 0.05 0.03 -0.10 0.03 -0.02 -0.03 0.00 -0.07 0.06 -0.09 -0.08 0.02 -0.07 0.01 0.11 0.01 0.01 -0.16 0.01 -0.01 -0.08 0.05 0.00 -0.07 0.05 -0.01 0.02 -0.04 0.01 0.02 0.01 0.03 0.03 -0.04 0.01 0.11 -0.14 0.02 -0.03 0.10 -0.06 0.08 -0.03 -0.06 -0.07 -0.02 -0.14 -0.09 0.03 0.08 -0.01 -0.13 -0.16 -0.11 0.03 -0.07 0.13 -0.16 -0.09 0.03 -0.14 0.02 0.25 -0.03 0.04 -0.21 -0.00 -0.03 -0.15 0.08 0.02 -0.13 -0.06 0.02 0.00 0.03 0.07 0.02 -0.06 -0.00 -0.03 -0.42 0.05 -0.06 -0.05 -0.22 -0.06 0.11 -0.07 0.09 0.09 -0.03 0.07 0.11 -0.06 0.08 -0.01 0.01 0.01 0.00 -0.05 -0.05 -0.05 -0.07 0.13 0.04 -0.07 0.05 -0.11 0.11 -0.12 0.02 -0.00 -0.04 0.04 0.05 -0.00 -0.03 -0.03 0.02 0.07 0.05 -0.11 0.04 0.02 -0.12 -0.11 -0.01 -0.05 0.08 0.10 0.00 0.03 -0.06 -0.06 -0.02 -0.05 0.05 -0.01 0.02 0.02 -0.01 0.08 0.08 -0.04 -0.00 0.06 0.07 -0.02 -0.03 0.04 -0.05 0.08 -0.00 0.01 0.04 -0.02 0.00 0.03 0.03 0.04 -0.00 0.02 -0.01 -0.01 -0.00 -0.02 -0.01 0.02 -0.01 -0.04 -0.11 -0.01 -0.03 0.13 -0.02 0.08 -0.22 -0.09 0.23 -0.34 -0.02 -0.24 0.11 0.20 0.03 -0.00 -0.16 -0.09 -0.06 0.12 0.14 -0.11 -0.04 0.11 0.11 -0.01 -0.09 0.08 -0.08 0.11 0.01 0.03 0.07 -0.04 0.00 0.04 0.05 -0.01 -0.00 -0.02 -0.04 -0.00 -0.31 0.01 -0.05 -0.10 -0.01 -0.03 0.00 0.02 -0.18 0.16 -0.03 0.10 0.10 0.07 0.05 0.20 -0.03 0.10 0.00 -0.02 -0.01 -0.02 0.01 0.08 0.12 -0.16 0.11 0.02 0.04 -0.03 -0.18 0.21 -0.20 -0.01 0.02 0.05 -0.01 0.12 0.14 0.04 0.07 -0.01 -0.04 -0.10 -0.02 -0.02 -0.02 -0.00 0.06 -0.06 -0.06 0.03 -0.16 0.03 0.04 -0.10 0.05 0.03 0.07 -0.05 0.03 -0.04 -0.01 -0.12 -0.11 0.00 -0.08 -0.07 0.02 -0.08 0.04 0.03 -0.04 0.07 -0.09 0.00 -0.04 -0.04 0.05 -0.02 -0.02 0.00 0.13 0.01 -0.04 0.01 0.01 0.02 0.04 0.01 -0.03 0.03 0.04 0.18 -0.03 0.02 -0.00 0.06 -0.03 0.13 -0.01 -0.26 0.23 -0.11 0.07 0.13 -0.18 0.07 0.09 -0.19 0.05 -0.19 -0.08 -0.03 -0.11 -0.02 -0.02 -0.13 0.02 0.09 -0.09 0.12 -0.14 -0.02 -0.08 -0.07 0.09 -0.02 -0.02 -0.09 0.02 0.00 0.05 0.08 0.01 0.08 0.00 0.02 0.33 -0.04 0.03 0.16 0.11 0.00 -0.03 0.05 -0.04 -0.01 0.05 0.01 0.02 0.06 -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 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 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 -0.20 -0.04 -0.05 0.21 0.00 -0.00 -0.00 -0.03 -0.05 0.21 0.04 0.04 -0.20 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 -0.01 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 -0.01 0.01 -0.00 0.00 0.07 0.10 -0.41 -0.07 -0.11 0.45 -0.08 -0.11 0.45 0.07 0.09 -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 -0.03 -0.00 -0.07 -0.09 -0.01 -0.01 -0.03 0.04 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.04 0.10 0.01 0.02 -0.00 -0.01 -0.08 0.10 0.00 0.20 -0.07 0.04 0.09 -0.03 -0.00 0.03 -0.07 0.05 -0.09 0.09 -0.04 -0.12 0.07 -0.06 -0.03 0.01 -0.03 0.08 -0.09 -0.07 0.02 0.02 0.02 0.10 -0.04 0.05 -0.01 0.12 0.03 0.02 0.04 -0.04 0.01 -0.13 0.01 0.11 -0.09 0.02 -0.01 -0.00 -0.01 -0.06 0.01 0.00 0.05 0.05 0.04 -0.02 0.08 -0.06 -0.02 -0.01 -0.00 -0.02 0.02 -0.02 -0.01 0.07 0.17 -0.03 -0.13 -0.02 -0.33 0.25 -0.12 -0.36 0.17 -0.13 -0.03 0.05 0.02 0.15 -0.08 0.08 0.01 0.17 0.08 0.05 0.02 -0.04 -0.06 -0.24 0.09 0.19 -0.12 0.15 -0.18 -0.00 0.07 0.09 0.12 0.16 -0.08 0.00 -0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.05 -0.02 0.02 -0.02 -0.02 0.01 -0.01 -0.02 0.02 -0.02 0.02 0.03 0.00 0.07 0.05 0.03 0.06 -0.01 0.07 -0.03 0.04 -0.04 -0.01 -0.02 -0.01 0.02 -0.08 -0.01 -0.01 0.03 0.10 0.09 -0.03 0.00 0.16 -0.07 0.00 0.12 -0.09 -0.01 -0.00 0.00 0.01 -0.09 0.06 -0.06 -0.12 -0.00 -0.08 0.04 0.04 0.03 -0.07 0.06 0.07 0.02 -0.04 0.02 0.03 -0.08 0.01 -0.03 -0.09 -0.05 -0.06 0.02 0.02 -0.02 0.09 -0.02 -0.10 0.07 -0.03 -0.03 -0.00 0.02 0.04 -0.01 -0.01 -0.05 -0.04 -0.04 0.00 -0.06 0.07 0.04 -0.01 -0.00 -0.07 0.05 -0.06 -0.08 -0.01 0.25 -0.18 0.01 -0.14 -0.33 0.21 -0.14 -0.38 0.09 -0.16 -0.01 -0.01 0.05 0.01 -0.10 0.03 -0.07 -0.15 -0.11 -0.14 0.09 -0.01 0.04 0.19 -0.11 -0.16 0.10 -0.17 0.12 0.01 -0.10 -0.08 -0.09 -0.16 -0.01 -0.00 -0.00 0.02 -0.01 -0.01 0.07 -0.02 -0.04 -0.08 0.05 -0.06 -0.06 0.02 -0.04 -0.08 0.05 -0.06 -0.04 -0.02 -0.01 -0.07 0.00 0.00 0.13 0.02 0.07 -0.12 0.03 -0.08 0.04 -0.15 0.07 0.01 0.02 0.01 -0.05 0.06 0.22 -0.05 -0.03 0.00 -0.11 0.08 -0.16 0.10 -0.05 -0.06 -0.09 0.01 -0.18 0.04 0.09 0.04 0.08 -0.03 -0.08 -0.04 -0.06 -0.01 0.05 -0.00 -0.03 0.10 0.05 0.10 -0.10 0.10 0.02 0.06 0.02 0.04 0.06 -0.06 0.01 0.03 -0.02 0.02 0.06 -0.02 0.03 -0.09 -0.07 0.05 0.01 0.01 0.02 0.05 0.02 0.02 0.01 0.03 -0.04 0.13 -0.02 0.00 -0.13 0.09 -0.11 -0.08 -0.07 -0.21 -0.06 -0.05 -0.17 0.11 0.15 0.08 0.07 -0.11 -0.10 0.21 0.00 0.15 -0.31 0.11 0.05 0.09 0.06 0.06 0.15 -0.13 0.04 0.00 -0.06 0.07 0.08 -0.04 0.10 -0.01 -0.00 0.07 0.06 0.04 0.09 0.12 -0.01 0.01 0.10 -0.02 0.01 0.13 -0.04 0.00 -0.13 0.09 -0.11 -0.13 0.07 -0.10 -0.14 0.08 -0.09 0.22 0.10 0.07 0.14 -0.01 0.03 0.02 0.01 0.01 -0.02 -0.00 -0.01 0.01 -0.03 0.01 -0.03 0.04 -0.01 -0.01 0.01 0.03 0.03 0.09 0.04 -0.04 0.03 -0.04 -0.01 0.01 -0.02 0.01 -0.05 -0.01 0.02 0.01 0.01 0.03 -0.01 -0.01 0.11 0.04 0.01 -0.12 -0.07 -0.14 0.01 0.02 0.02 -0.02 0.03 0.01 0.07 0.07 0.06 0.12 0.03 -0.01 -0.20 -0.13 -0.05 -0.21 -0.12 -0.04 -0.01 -0.01 0.01 -0.21 -0.12 -0.03 -0.22 -0.07 -0.02 -0.08 -0.01 -0.11 0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.18 0.05 -0.06 -0.01 -0.05 0.08 0.00 0.04 0.07 -0.05 -0.00 0.05 0.00 0.03 -0.05 0.02 0.02 0.11 0.15 0.15 0.11 0.04 -0.01 -0.25 -0.20 0.08 -0.21 -0.15 0.07 -0.33 -0.14 0.09 -0.27 -0.15 0.09 0.02 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 -0.00 0.02 0.01 -0.00 -0.02 -0.11 -0.01 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 0.01 -0.03 0.02 -0.00 0.03 -0.03 0.00 0.00 -0.01 -0.00 0.07 -0.04 -0.02 -0.01 -0.04 -0.01 0.04 -0.02 0.00 -0.11 -0.03 0.01 0.02 0.04 0.03 0.04 -0.01 0.01 0.03 0.01 -0.04 -0.09 0.23 0.00 0.05 0.04 0.02 0.07 0.05 0.01 0.05 -0.05 0.00 0.05 0.02 -0.02 -0.05 -0.03 0.01 -0.03 -0.01 -0.01 -0.01 -0.00 -0.02 0.00 -0.09 0.01 0.02 -0.09 -0.06 -0.04 0.21 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 -0.09 -0.09 0.06 -0.14 0.00 0.06 0.04 0.06 0.06 -0.00 -0.00 0.02 0.04 0.01 0.03 0.05 0.07 0.03 0.06 -0.06 -0.01 0.07 0.02 0.02 0.01 -0.37 0.09 0.05 -0.35 0.00 0.09 -0.46 0.09 0.13 -0.45 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 0.01 0.01 -0.00 0.01 -0.00 0.02 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.15 0.00 0.07 -0.00 -0.06 0.04 -0.04 0.00 0.00 -0.00 0.19 -0.10 -0.14 0.00 0.00 -0.00 -0.10 0.02 0.03 0.17 -0.05 0.10 0.01 0.00 0.01 -0.12 -0.00 -0.02 0.05 0.01 0.09 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.13 -0.12 0.03 -0.12 0.09 -0.03 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.03 -0.01 -0.05 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.12 -0.00 -0.02 -0.06 0.05 -0.05 0.08 -0.01 -0.18 0.15 0.02 0.13 -0.19 0.00 -0.05 0.04 0.04 0.09 0.33 -0.24 0.04 -0.27 0.23 -0.14 0.01 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.02 -0.01 0.00 -0.03 0.00 0.01 -0.03 -0.34 0.02 -0.05 -0.24 0.01 -0.07 0.08 -0.11 -0.24 -0.07 0.04 -0.06 -0.04 -0.02 -0.02 -0.09 0.06 -0.07 0.02 0.00 0.00 -0.04 0.16 -0.02 0.02 0.02 -0.00 0.02 0.02 -0.00 -0.01 0.03 -0.03 -0.01 0.06 -0.03 -0.03 0.01 0.05 -0.09 -0.04 -0.02 0.03 0.05 0.07 -0.01 -0.06 0.03 -0.01 0.24 0.05 0.01 -0.00 -0.08 -0.06 -0.09 0.01 -0.07 -0.08 0.00 -0.01 -0.06 0.11 0.00 -0.06 -0.07 -0.04 -0.15 -0.10 0.14 0.07 0.03 0.13 -0.10 0.05 -0.02 -0.07 -0.00 0.02 -0.06 0.02 0.01 0.02 0.02 -0.04 -0.01 -0.06 0.01 0.01 -0.05 -0.04 -0.01 0.09 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.26 0.11 -0.06 0.27 0.02 -0.06 -0.06 -0.11 -0.08 -0.02 0.01 -0.03 -0.02 0.02 -0.05 -0.12 -0.12 0.23 0.18 0.09 0.32 -0.24 0.14 -0.02 -0.08 -0.18 0.08 -0.02 -0.14 -0.05 0.03 -0.26 0.07 0.09 -0.24 0.04 -0.00 0.00 0.01 0.00 0.01 0.01 -0.01 0.01 -0.02 0.00 -0.01 0.01 -0.03 0.02 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.14 0.10 0.20 -0.07 0.00 -0.02 -0.02 -0.08 0.03 -0.00 0.00 -0.01 0.17 -0.04 -0.04 -0.01 0.01 0.00 -0.02 0.06 -0.03 -0.13 0.13 -0.04 0.01 -0.00 0.03 0.13 -0.04 -0.05 -0.12 0.02 0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.16 0.02 -0.05 0.08 -0.11 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 -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.03 -0.07 0.06 -0.06 0.00 -0.01 0.05 -0.01 -0.00 0.01 0.38 -0.15 0.03 0.06 -0.10 0.09 -0.19 0.05 0.02 0.41 -0.23 0.08 -0.01 0.01 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 -0.00 -0.21 -0.01 -0.06 -0.22 0.01 -0.06 0.23 -0.18 -0.26 -0.05 0.05 -0.05 -0.06 0.06 -0.07 -0.06 0.06 -0.05 0.01 0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.12 0.09 0.35 0.00 -0.00 0.00 0.06 -0.04 -0.23 -0.00 0.01 0.00 -0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.03 -0.03 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.10 -0.04 -0.24 -0.03 0.04 0.16 0.08 -0.03 -0.01 -0.03 -0.09 -0.05 -0.00 -0.00 0.00 0.01 0.06 0.03 -0.08 0.01 0.00 -0.03 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.23 -0.17 -0.70 -0.00 0.03 0.17 0.03 -0.10 0.08 0.01 -0.12 0.07 -0.05 0.05 0.09 -0.07 0.03 0.09 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.00 -0.00 0.11 -0.13 -0.04 0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.02 0.01 -0.08 -0.05 0.04 0.06 -0.04 0.06 0.03 -0.00 0.16 0.02 -0.06 0.03 -0.01 0.09 -0.07 0.22 0.03 0.16 -0.16 0.02 -0.14 0.06 0.04 -0.02 -0.02 0.00 -0.05 -0.01 0.12 -0.00 -0.02 -0.16 -0.10 -0.12 -0.10 0.01 -0.01 -0.08 0.00 -0.02 0.16 -0.03 0.03 -0.05 -0.09 -0.02 -0.01 0.01 0.03 0.09 0.12 0.04 -0.12 0.05 -0.02 0.01 0.05 0.02 0.03 -0.00 0.00 0.00 -0.01 0.00 0.08 -0.12 0.24 0.03 -0.05 0.19 0.10 0.08 -0.14 0.21 -0.19 0.12 0.30 -0.03 0.28 -0.19 -0.11 -0.10 -0.13 0.02 0.04 -0.18 0.08 -0.02 0.16 -0.04 0.00 0.02 -0.10 -0.02 0.04 0.13 -0.01 -0.10 0.08 -0.03 0.05 -0.01 0.00 0.03 -0.00 0.01 0.00 0.01 0.02 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.01 -0.02 -0.00 0.01 -0.09 -0.03 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.04 0.03 0.10 -0.03 0.02 0.03 -0.00 0.04 -0.05 0.01 0.10 0.01 -0.04 0.02 -0.00 0.04 -0.04 0.12 0.02 0.10 -0.10 0.01 -0.08 0.04 0.01 0.01 -0.03 -0.04 0.08 0.02 0.07 -0.00 -0.01 -0.09 -0.07 -0.07 -0.01 0.02 -0.07 -0.04 0.05 0.03 -0.28 0.05 -0.06 0.14 0.25 0.06 -0.01 0.01 0.02 -0.14 -0.25 -0.07 0.29 -0.05 0.06 0.05 -0.08 -0.03 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.06 -0.01 0.09 0.06 -0.05 0.13 0.06 0.05 -0.09 0.12 -0.11 0.08 0.17 -0.01 0.17 -0.10 -0.07 -0.06 0.03 -0.02 -0.21 -0.08 0.08 0.02 -0.24 0.11 0.00 0.05 0.24 0.07 -0.06 -0.28 0.01 0.23 -0.14 0.09 0.03 -0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.00 0.00 0.00 -0.03 0.03 0.00 -0.05 -0.08 -0.03 -0.10 -0.11 -0.01 0.11 -0.04 0.06 0.02 -0.01 0.00 -0.02 0.14 -0.04 0.01 -0.02 0.00 0.11 0.04 -0.10 0.11 0.21 0.04 -0.01 -0.01 -0.12 0.06 -0.01 -0.26 -0.01 0.07 0.31 -0.01 0.01 0.01 0.01 0.00 0.00 -0.08 -0.25 0.01 -0.05 0.02 0.11 0.02 -0.01 0.01 0.02 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.07 0.05 -0.02 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.02 0.02 -0.02 0.03 -0.09 -0.01 -0.08 -0.14 -0.03 0.23 -0.26 -0.16 0.03 0.25 -0.19 -0.16 0.09 -0.02 0.31 -0.19 0.01 -0.01 0.02 0.04 -0.02 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 0.01 0.02 0.12 -0.02 0.01 -0.08 0.09 0.06 0.11 -0.03 0.07 -0.02 0.15 -0.08 0.13 -0.06 0.09 0.03 0.01 0.01 -0.17 -0.11 -0.09 0.00 0.01 -0.00 0.02 0.01 -0.00 -0.01 0.00 -0.01 0.09 -0.05 0.02 -0.01 -0.02 0.01 0.12 -0.04 -0.10 0.01 0.04 0.03 -0.01 -0.01 0.03 -0.04 0.02 0.01 0.04 0.05 -0.03 -0.03 -0.03 0.02 -0.10 0.11 0.26 0.05 0.02 0.07 0.03 0.05 -0.02 -0.01 -0.05 -0.04 0.02 -0.02 0.10 0.07 0.06 -0.09 -0.02 0.07 -0.04 -0.00 -0.06 -0.05 -0.00 -0.00 0.02 -0.04 0.06 0.05 -0.03 -0.07 0.02 -0.06 -0.02 -0.08 0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 0.18 -0.18 0.14 -0.06 0.14 0.01 0.03 -0.04 -0.02 0.03 0.03 0.00 0.09 0.06 -0.03 -0.06 -0.03 -0.03 -0.12 0.01 0.22 -0.07 -0.69 -0.06 0.01 -0.10 -0.08 -0.04 -0.13 0.02 0.03 0.13 -0.01 -0.04 0.09 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.01 0.01 -0.02 0.02 -0.02 0.01 -0.01 -0.02 -0.01 -0.01 0.18 0.06 0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.09 0.05 -0.01 0.01 0.01 -0.01 -0.04 -0.01 -0.16 -0.00 -0.03 -0.02 -0.00 0.02 -0.03 0.04 -0.02 0.00 -0.04 -0.03 0.02 0.02 0.01 -0.02 -0.06 0.01 0.29 -0.05 -0.02 -0.07 -0.02 -0.04 0.02 -0.00 0.04 0.02 -0.07 0.06 0.05 -0.02 -0.09 -0.07 0.02 -0.07 0.02 0.00 0.06 0.04 -0.01 0.01 0.01 0.03 -0.06 -0.04 0.03 0.06 -0.02 0.06 0.02 0.07 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.19 0.20 -0.15 0.08 -0.13 0.00 -0.02 0.03 0.05 -0.04 -0.02 0.04 -0.08 -0.03 0.03 0.03 0.03 0.05 0.09 -0.09 0.17 -0.26 -0.67 0.05 -0.03 0.11 0.07 0.03 0.14 -0.03 -0.04 -0.08 0.00 0.03 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.00 0.06 0.03 0.02 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.03 0.02 -0.03 0.00 0.01 -0.00 -0.04 0.02 -0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.01 0.02 0.00 -0.00 -0.02 -0.02 0.01 0.01 0.01 -0.01 0.00 -0.02 0.01 -0.07 -0.08 0.25 -0.01 -0.02 0.01 0.00 0.02 0.01 -0.01 0.03 -0.03 -0.01 -0.04 0.01 0.06 -0.02 -0.14 0.02 0.04 -0.12 -0.00 0.00 -0.00 -0.01 -0.06 0.16 -0.03 -0.00 0.17 0.07 0.08 -0.23 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.06 0.07 -0.05 0.03 -0.05 -0.00 -0.01 0.02 0.01 -0.02 -0.01 0.01 -0.04 -0.02 0.01 0.02 0.01 0.04 0.10 0.03 0.01 -0.05 0.05 0.13 0.09 -0.49 0.13 0.14 -0.51 -0.08 -0.07 0.25 -0.05 -0.03 0.25 -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 0.00 0.02 0.01 0.01 -0.02 0.05 -0.00 0.02 0.02 0.03 -0.05 -0.04 0.01 0.03 0.01 0.03 0.03 0.01 -0.00 0.01 0.04 -0.01 -0.01 -0.03 0.01 0.13 -0.11 0.03 -0.13 0.07 -0.10 0.05 0.02 0.04 -0.14 -0.02 0.02 0.07 -0.01 -0.07 -0.03 -0.02 -0.01 0.07 0.03 0.02 0.01 -0.07 0.03 -0.10 0.10 -0.00 -0.01 0.02 -0.00 -0.03 -0.01 -0.00 -0.04 0.08 0.01 0.04 -0.08 -0.01 0.02 -0.00 -0.07 -0.04 0.08 0.01 0.04 -0.08 -0.01 -0.08 -0.04 -0.03 0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.03 0.13 0.26 -0.10 0.03 -0.08 -0.05 -0.03 0.06 0.49 -0.31 0.04 0.37 -0.29 0.03 0.23 -0.10 0.13 -0.03 -0.01 -0.03 0.02 -0.04 -0.01 -0.10 -0.00 -0.03 -0.05 -0.07 -0.04 0.06 0.08 0.03 0.10 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.06 -0.02 -0.04 0.04 -0.01 0.03 -0.02 0.07 -0.05 0.04 -0.01 0.02 0.00 0.00 0.00 0.01 0.00 -0.02 0.01 0.01 0.00 0.01 -0.03 -0.04 0.04 -0.02 -0.05 -0.01 0.01 0.04 0.02 -0.01 -0.05 0.00 -0.01 -0.03 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.02 -0.04 0.02 0.11 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.08 0.02 -0.03 -0.12 -0.01 0.02 0.00 0.01 -0.02 0.00 -0.10 0.09 0.18 -0.01 0.02 0.00 0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.01 0.01 0.00 0.02 -0.02 0.02 0.01 -0.01 -0.01 0.03 -0.02 -0.00 0.01 -0.02 0.01 -0.17 0.14 0.50 -0.21 0.17 0.71 -0.02 -0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.03 0.01 -0.00 -0.01 -0.01 -0.00 -0.02 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.02 -0.00 -0.01 0.03 0.01 0.03 -0.03 0.04 0.04 0.02 0.01 0.13 0.03 0.03 -0.01 -0.01 -0.02 0.02 0.00 -0.02 0.01 -0.01 -0.03 0.00 0.06 -0.03 0.01 -0.01 -0.01 -0.08 -0.01 -0.01 -0.11 0.06 -0.04 0.09 -0.04 0.03 0.01 -0.04 0.01 0.06 -0.02 0.00 -0.02 0.01 0.01 0.01 -0.09 -0.04 0.12 0.05 0.04 -0.02 0.02 -0.01 0.07 -0.04 0.02 -0.11 0.07 -0.01 -0.13 -0.08 0.05 -0.07 0.14 0.02 0.09 -0.15 -0.02 -0.04 0.04 0.09 -0.07 0.16 0.03 0.11 -0.15 -0.01 -0.15 -0.07 -0.05 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.23 0.01 -0.04 0.04 -0.01 0.05 -0.02 -0.00 -0.32 0.17 -0.08 -0.23 0.13 -0.06 -0.18 0.10 -0.07 -0.02 -0.01 -0.31 0.00 -0.19 -0.31 -0.17 0.01 -0.07 -0.06 -0.13 -0.08 0.12 0.15 0.04 0.22 0.02 0.03 0.00 -0.00 0.00 0.00 0.00 0.01 -0.03 0.01 0.02 -0.02 0.01 -0.01 0.00 -0.01 0.02 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.05 0.00 0.01 0.01 0.01 0.01 0.02 -0.05 -0.07 0.07 -0.04 -0.09 0.02 -0.02 -0.03 0.04 -0.03 -0.09 0.01 0.01 0.04 0.04 -0.03 0.01 -0.02 0.01 -0.02 -0.00 0.01 0.00 -0.04 -0.00 0.01 0.00 -0.00 -0.02 0.03 -0.00 -0.13 -0.03 -0.01 -0.01 -0.00 0.00 0.00 -0.03 0.02 -0.01 0.01 -0.00 0.08 0.01 0.05 0.11 0.02 -0.03 -0.00 -0.02 0.04 -0.00 -0.17 0.15 0.31 0.02 -0.04 -0.00 -0.03 0.03 0.00 0.03 0.02 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.08 0.01 0.00 -0.01 0.00 0.03 -0.04 0.04 0.15 -0.08 0.02 0.15 -0.09 0.02 0.13 -0.08 0.05 0.17 -0.15 -0.45 0.20 -0.12 -0.58 0.04 -0.00 0.00 0.02 0.03 0.02 -0.03 -0.03 -0.01 -0.06 -0.01 -0.00 -0.02 -0.01 -0.01 -0.04 0.00 0.00 0.02 -0.03 -0.02 -0.02 0.03 -0.01 -0.02 0.04 0.01 0.05 -0.04 0.05 0.00 0.00 0.00 0.01 0.01 0.02 -0.03 -0.01 -0.06 0.11 0.10 0.01 -0.09 -0.04 -0.03 -0.00 0.01 -0.00 -0.01 -0.06 0.06 -0.01 -0.00 0.00 0.05 -0.00 -0.03 0.05 -0.02 0.06 0.00 -0.03 -0.09 0.01 0.04 -0.07 -0.06 0.05 0.07 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.06 0.02 -0.02 -0.04 0.04 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.06 0.06 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.03 0.01 0.00 0.00 0.01 -0.00 -0.04 -0.05 0.03 -0.09 -0.05 -0.17 0.32 -0.08 0.04 0.27 -0.08 0.19 0.41 -0.20 0.17 0.51 -0.18 0.11 -0.01 0.02 0.02 -0.01 -0.01 0.04 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 0.00 -0.00 0.05 0.00 0.01 0.02 0.00 0.02 -0.09 0.04 0.07 -0.09 0.01 -0.06 0.05 -0.18 0.10 -0.11 0.04 -0.07 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.02 -0.03 -0.00 -0.08 -0.07 0.00 0.08 0.05 0.03 0.00 -0.00 0.00 -0.01 0.07 -0.01 0.01 0.00 -0.00 -0.09 0.04 -0.00 0.21 -0.08 0.02 -0.01 0.02 0.09 -0.02 -0.01 0.01 -0.05 0.02 -0.07 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.11 0.03 -0.03 -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 0.06 -0.07 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 0.04 0.03 -0.03 0.07 0.06 0.16 0.46 -0.27 0.18 -0.05 -0.04 -0.08 0.40 -0.24 0.11 0.38 -0.24 0.15 0.00 -0.01 -0.00 0.00 0.01 -0.02 0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 0.04 -0.01 -0.00 -0.03 0.03 0.02 0.08 -0.02 0.05 -0.04 0.14 -0.09 0.09 -0.04 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 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.05 0.02 0.02 -0.09 0.00 -0.00 0.00 -0.01 -0.01 0.06 0.01 0.02 -0.08 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 0.02 0.06 0.08 -0.37 -0.09 -0.16 0.58 0.07 0.08 -0.36 -0.10 -0.13 0.54 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.01 -0.05 -0.02 -0.02 -0.04 0.10 0.09 0.00 -0.09 -0.10 -0.01 0.02 -0.01 -0.00 0.01 0.01 0.04 0.01 -0.01 0.00 -0.05 0.06 -0.07 0.05 0.06 -0.14 0.04 0.07 0.25 -0.01 -0.04 -0.09 0.10 0.03 -0.15 -0.02 0.01 -0.01 -0.00 -0.01 0.03 -0.11 -0.18 0.05 0.05 0.09 0.15 0.02 -0.01 0.00 0.02 0.04 0.01 0.01 -0.00 -0.03 -0.00 0.01 -0.02 -0.01 -0.08 0.07 0.01 -0.00 -0.02 -0.01 0.01 -0.01 0.00 -0.00 0.02 -0.02 0.01 0.00 0.01 0.01 0.00 0.08 0.19 0.18 0.08 0.09 0.29 0.21 0.01 0.01 -0.23 -0.09 -0.30 -0.17 -0.19 -0.09 -0.19 0.26 0.02 -0.02 -0.02 0.05 0.03 0.02 -0.03 -0.02 -0.03 0.14 -0.02 -0.02 0.08 -0.03 -0.04 0.15 -0.03 -0.02 0.08 0.03 0.00 0.01 0.02 -0.00 0.02 -0.09 0.04 0.06 -0.10 0.01 -0.06 0.06 -0.19 0.12 -0.11 0.04 -0.07 0.00 0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.01 -0.00 -0.03 -0.00 -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 -0.02 -0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.02 0.12 0.01 0.02 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.02 -0.00 -0.01 0.02 0.02 0.02 -0.09 0.01 0.01 -0.06 0.00 0.01 -0.01 0.02 0.02 -0.09 0.01 0.01 -0.05 -0.02 -0.02 0.08 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.01 -0.01 -0.01 -0.03 -0.02 -0.00 0.00 0.02 0.01 0.03 0.02 0.02 0.01 0.01 -0.02 -0.00 -0.03 0.05 0.11 0.03 -0.04 -0.03 -0.08 -0.12 0.53 -0.04 -0.08 0.30 -0.11 -0.14 0.62 -0.06 -0.08 0.33 -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 0.02 -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 -0.01 0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.03 -0.13 -0.04 0.03 0.10 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.23 0.21 0.76 0.13 -0.12 -0.51 0.01 0.01 -0.05 -0.00 0.00 -0.01 0.01 0.02 -0.08 0.01 0.01 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.01 0.02 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.04 -0.02 0.01 -0.06 0.02 0.00 0.03 -0.02 -0.04 -0.10 0.05 -0.02 0.08 -0.05 0.05 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 0.04 -0.02 0.04 -0.02 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 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.03 0.01 0.11 -0.08 -0.02 -0.13 0.51 -0.29 0.18 -0.49 0.28 -0.12 0.27 -0.11 0.08 -0.29 0.16 -0.11 -0.00 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.04 -0.02 -0.03 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.08 0.09 0.19 0.01 0.21 -0.09 -0.02 -0.08 0.03 -0.00 0.00 -0.00 -0.18 0.03 -0.14 0.00 0.01 0.00 -0.01 0.00 0.01 0.06 -0.03 0.00 -0.03 0.01 0.01 0.03 -0.01 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.01 -0.02 0.03 0.01 -0.01 0.00 -0.00 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.18 0.03 -0.11 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.25 -0.09 -0.08 0.16 -0.20 0.17 0.01 -0.02 -0.12 0.06 0.02 0.09 -0.15 0.08 -0.06 -0.06 0.02 -0.01 0.09 -0.05 0.01 0.19 -0.07 0.06 0.00 0.02 0.01 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.03 -0.05 -0.09 0.02 -0.05 -0.11 0.42 -0.18 -0.25 0.03 -0.14 0.09 0.17 -0.26 0.21 0.03 -0.14 0.07 -0.00 -0.00 -0.00 -0.03 0.07 -0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.17 0.09 0.04 0.00 0.00 0.00 0.16 -0.32 0.12 -0.02 -0.01 -0.01 0.01 0.00 0.00 0.01 -0.12 0.04 0.01 0.01 -0.01 -0.02 -0.00 0.01 -0.07 -0.10 0.00 0.15 0.07 0.05 0.02 0.03 -0.00 0.00 -0.01 0.00 -0.10 0.35 -0.11 -0.15 0.06 -0.05 -0.00 -0.06 -0.01 -0.04 0.03 0.00 -0.00 0.00 -0.00 -0.02 -0.16 -0.04 -0.14 0.08 -0.01 0.05 0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.06 0.03 -0.01 -0.07 0.03 0.01 -0.01 -0.01 0.04 -0.03 0.03 -0.02 0.06 0.02 -0.03 -0.01 0.01 -0.28 0.21 -0.14 0.31 -0.29 0.15 -0.04 -0.14 -0.03 -0.12 0.05 -0.03 -0.15 -0.16 -0.05 -0.22 -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 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.06 -0.02 -0.02 0.09 0.00 -0.00 0.00 0.01 0.01 -0.06 0.02 0.02 -0.10 -0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.01 0.00 -0.02 0.02 -0.02 0.06 0.08 -0.38 0.06 0.14 -0.53 -0.07 -0.08 0.35 -0.09 -0.14 0.59 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.01 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.02 -0.02 -0.00 -0.01 0.01 -0.01 0.04 -0.03 0.02 0.05 -0.03 0.00 -0.07 0.03 -0.02 -0.10 0.05 -0.02 -0.02 0.01 -0.01 -0.01 -0.00 0.00 0.06 -0.02 0.02 0.06 -0.03 0.02 0.02 -0.02 0.01 0.02 0.04 -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 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.01 0.01 -0.02 0.01 -0.01 -0.01 0.17 -0.10 -0.03 -0.12 0.39 -0.23 0.14 0.53 -0.25 0.18 -0.33 0.18 -0.10 -0.32 0.18 -0.11 0.00 -0.03 0.01 0.01 0.06 -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 -0.01 0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.00 0.00 0.01 -0.02 0.01 -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 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.02 0.00 0.02 0.02 -0.10 -0.01 -0.02 0.06 -0.00 0.00 0.00 -0.02 -0.03 0.09 0.01 0.02 -0.07 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.01 0.01 0.01 0.00 0.02 -0.01 0.01 0.02 -0.01 0.00 -0.01 -0.00 -0.01 -0.02 0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.02 0.01 -0.09 -0.13 0.58 0.03 0.09 -0.34 0.09 0.12 -0.55 -0.07 -0.09 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 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.22 0.07 -0.03 0.02 0.01 -0.00 -0.02 0.01 0.01 0.03 -0.01 0.06 0.06 0.01 -0.02 -0.05 0.00 0.11 0.14 0.00 0.07 0.02 0.04 -0.03 -0.05 0.02 -0.08 0.29 -0.10 -0.04 0.03 -0.05 -0.03 0.04 -0.05 0.13 -0.05 0.05 0.06 0.02 -0.00 -0.03 -0.08 0.02 0.06 0.02 0.04 -0.12 0.06 -0.05 -0.12 -0.22 0.02 -0.02 -0.00 0.04 -0.01 0.01 -0.01 0.02 0.01 0.02 -0.00 -0.05 -0.05 -0.06 0.03 0.01 0.01 0.00 0.00 0.04 -0.01 -0.01 -0.02 0.01 -0.01 -0.04 0.26 -0.19 0.09 0.15 0.01 0.30 -0.08 0.08 0.28 -0.10 0.05 -0.09 -0.06 -0.04 -0.19 0.21 -0.10 -0.05 0.14 -0.03 -0.10 -0.25 0.02 0.03 0.06 -0.21 -0.04 -0.01 0.08 -0.05 -0.10 0.15 -0.06 0.03 -0.11 0.00 -0.01 -0.02 -0.01 -0.00 -0.01 0.06 -0.03 -0.03 0.01 0.01 0.00 -0.02 0.05 -0.03 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.01 0.18 -0.12 -0.07 0.01 0.14 -0.06 -0.05 -0.15 0.04 0.01 0.01 0.00 0.12 0.22 -0.03 0.03 0.04 -0.00 0.04 -0.04 0.03 0.09 0.19 -0.06 -0.07 0.03 -0.03 -0.11 -0.01 0.18 -0.03 -0.01 0.01 0.04 -0.00 0.01 0.01 0.00 -0.00 0.03 0.04 -0.01 -0.02 -0.17 -0.14 -0.03 0.01 -0.01 -0.03 -0.08 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.13 -0.02 -0.07 -0.00 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.22 0.07 0.08 0.09 -0.09 0.09 -0.01 0.05 -0.21 0.10 0.06 0.12 0.04 -0.16 0.23 0.10 -0.09 0.04 0.00 0.05 0.01 -0.20 -0.14 -0.15 0.01 0.04 -0.00 0.00 -0.10 0.02 0.01 0.02 -0.05 -0.01 -0.00 0.01 -0.01 -0.02 0.03 -0.01 0.01 -0.02 -0.04 0.08 0.11 0.06 0.03 0.07 -0.31 0.17 0.16 -0.03 -0.07 0.01 0.12 -0.23 0.16 -0.05 -0.04 -0.00 0.00 0.00 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 -0.01 -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 -0.01 -0.03 -0.02 0.01 0.05 -0.02 0.00 -0.04 0.02 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.09 0.05 -0.03 0.09 -0.05 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 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.10 0.06 -0.01 0.09 -0.25 0.15 -0.10 0.26 -0.14 0.08 0.54 -0.27 0.18 -0.52 0.26 -0.14 0.01 0.01 0.00 0.02 -0.02 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.10 0.03 0.03 -0.01 -0.00 -0.01 0.02 -0.01 0.00 0.00 0.00 0.02 0.00 0.01 -0.01 -0.00 -0.00 -0.02 -0.03 0.00 -0.07 0.08 -0.04 0.01 -0.01 0.02 0.17 0.10 -0.06 0.03 -0.04 0.09 0.00 0.01 0.01 -0.01 -0.03 0.00 0.02 0.01 0.01 -0.06 -0.03 -0.01 0.02 -0.02 -0.05 0.01 0.01 -0.00 0.01 0.08 -0.02 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.02 -0.00 -0.02 0.01 -0.00 0.01 0.00 0.00 -0.02 0.01 0.01 0.01 -0.02 0.02 -0.05 0.02 0.57 -0.30 0.02 -0.46 -0.30 0.16 -0.00 0.01 0.10 0.03 0.16 -0.18 -0.02 0.02 0.07 -0.14 -0.06 -0.05 -0.00 -0.13 0.19 -0.08 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.00 -0.02 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.02 0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.02 0.01 0.01 0.01 0.00 -0.00 -0.03 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.04 -0.03 0.02 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.03 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.04 -0.02 -0.01 0.01 -0.01 0.19 -0.21 -0.02 -0.06 0.27 0.05 -0.00 0.00 -0.00 -0.06 0.18 0.03 0.11 -0.15 -0.02 -0.15 -0.07 -0.04 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 0.01 -0.01 0.01 -0.02 0.02 0.00 0.01 0.00 0.02 -0.00 -0.02 -0.01 -0.01 0.02 0.00 -0.01 0.02 0.07 -0.01 0.01 -0.00 0.00 0.03 -0.47 -0.09 -0.35 0.30 0.04 -0.31 0.20 -0.02 -0.03 -0.36 -0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.40 -0.06 -0.02 -0.14 0.12 -0.12 0.05 0.09 -0.01 -0.01 -0.00 -0.00 -0.16 -0.19 -0.02 -0.01 -0.02 0.00 0.00 -0.01 0.02 -0.13 -0.20 0.06 -0.01 0.00 0.01 0.09 0.02 -0.23 0.00 -0.02 -0.03 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.04 0.17 0.19 0.01 0.00 0.00 0.01 0.02 -0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.02 0.07 -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.26 0.13 0.13 0.08 -0.18 0.12 0.01 -0.02 -0.05 0.03 -0.02 0.03 0.06 -0.00 -0.26 -0.04 -0.06 -0.04 0.04 -0.01 -0.01 -0.01 0.15 0.23 0.01 0.01 0.00 0.00 0.02 -0.01 -0.00 0.02 0.01 0.02 -0.01 -0.00 0.01 -0.00 0.00 0.01 0.01 0.01 -0.02 0.03 0.10 -0.09 0.09 0.13 -0.17 0.04 0.07 0.11 -0.09 0.14 0.00 0.10 -0.05 0.14 -0.15 0.10 0.00 0.00 0.00 -0.06 0.05 -0.03 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.07 -0.03 0.03 -0.01 -0.01 0.00 0.00 0.16 -0.03 -0.04 0.02 -0.03 0.01 -0.01 0.00 0.08 -0.07 0.03 0.01 -0.02 0.01 -0.01 -0.01 0.02 -0.01 0.05 -0.02 0.05 0.01 -0.00 0.01 0.02 -0.01 -0.00 0.01 0.00 -0.06 -0.05 -0.01 0.01 -0.10 0.03 0.02 -0.01 0.01 -0.01 0.04 0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.03 0.01 -0.00 -0.02 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.03 0.25 -0.11 -0.09 -0.14 -0.10 0.00 -0.03 -0.04 -0.01 0.01 0.03 0.00 -0.04 0.02 0.00 0.01 -0.32 -0.28 -0.01 0.52 -0.50 0.27 0.01 -0.03 -0.04 -0.08 0.05 -0.02 -0.02 -0.02 -0.00 -0.06 -0.03 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.03 0.00 0.01 0.01 0.00 0.00 -0.02 0.01 -0.01 0.01 0.02 -0.00 0.00 -0.02 0.00 -0.02 -0.04 -0.00 -0.03 -0.02 -0.00 0.03 0.02 0.02 -0.02 -0.01 0.04 -0.04 -0.03 -0.01 0.01 0.07 0.04 0.07 0.08 -0.09 -0.02 0.02 -0.01 -0.02 -0.01 -0.01 -0.09 -0.12 0.10 -0.00 -0.06 -0.11 -0.02 0.01 -0.01 0.03 0.05 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.10 -0.14 0.06 -0.03 0.07 0.19 0.35 0.16 0.23 0.50 0.04 -0.14 -0.04 0.36 0.08 0.01 -0.21 -0.20 -0.15 -0.02 0.27 -0.13 0.11 -0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.00 0.01 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.01 0.03 -0.02 0.02 -0.01 0.01 0.00 0.00 0.00 -0.10 0.08 -0.05 0.01 0.00 0.00 -0.01 0.00 -0.01 0.00 0.01 -0.00 -0.05 0.02 -0.02 -0.01 -0.03 0.00 0.14 0.04 0.03 -0.03 0.02 -0.03 -0.00 -0.01 0.02 0.05 -0.11 0.03 0.01 0.02 0.03 0.02 0.03 -0.01 0.04 0.01 0.01 -0.02 -0.01 -0.01 -0.03 -0.04 0.03 -0.00 -0.02 -0.05 0.04 0.00 0.01 -0.08 -0.14 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.12 0.17 -0.08 -0.11 -0.09 0.01 0.16 0.05 0.07 0.22 0.04 -0.05 -0.00 0.13 0.05 0.01 -0.09 0.58 0.47 0.03 -0.35 0.04 -0.11 0.02 0.04 0.02 0.09 -0.01 0.04 0.04 0.01 0.01 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.01 0.02 -0.01 0.02 -0.01 0.01 0.02 0.01 0.01 0.02 0.05 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.12 0.05 0.03 -0.00 -0.01 -0.00 -0.15 0.05 -0.06 0.01 -0.01 0.01 -0.01 0.00 0.01 -0.03 -0.04 0.01 0.01 0.02 -0.01 0.02 0.02 -0.02 -0.02 -0.05 0.00 0.18 0.09 0.06 -0.01 -0.01 0.02 -0.00 -0.01 -0.01 0.06 -0.10 0.04 -0.02 -0.03 -0.00 0.09 -0.05 0.01 0.03 0.09 0.02 0.00 0.00 -0.00 -0.01 -0.16 -0.04 -0.13 0.08 -0.01 -0.18 -0.08 -0.05 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.07 -0.10 0.04 0.02 0.07 0.05 0.06 0.02 0.05 0.11 0.01 -0.02 0.01 0.11 -0.01 -0.02 -0.02 -0.00 -0.17 0.06 -0.59 0.40 -0.26 0.09 -0.08 -0.02 -0.00 0.10 0.04 0.07 -0.18 -0.02 -0.08 0.19 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 0.01 -0.00 0.00 -0.00 0.00 -0.02 -0.01 -0.01 -0.01 0.03 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.06 0.03 0.01 0.00 -0.00 0.00 -0.06 0.04 -0.03 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.02 0.00 0.09 0.04 0.03 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.03 -0.04 0.02 -0.02 -0.04 0.00 -0.06 -0.02 -0.01 -0.04 -0.03 -0.02 0.00 0.00 -0.00 -0.04 0.06 0.00 0.01 -0.07 -0.01 0.22 0.10 0.06 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 0.02 0.01 0.02 0.00 0.01 0.03 0.00 -0.00 0.01 0.03 -0.01 -0.01 0.00 0.00 -0.08 0.02 -0.29 0.17 -0.12 -0.29 -0.35 -0.14 -0.35 -0.02 -0.03 -0.40 0.10 -0.04 -0.21 -0.41 -0.15 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.18 0.00 -0.06 -0.19 0.14 -0.16 0.01 0.03 -0.01 -0.00 -0.00 0.00 0.28 -0.00 0.14 0.01 0.00 0.00 -0.02 -0.01 0.05 -0.04 0.03 0.06 0.02 0.01 -0.04 0.02 -0.05 -0.10 0.05 0.02 -0.07 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.02 -0.03 -0.03 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 0.11 -0.02 0.08 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.04 -0.05 0.04 -0.17 0.09 -0.01 0.00 0.06 -0.05 0.00 -0.10 -0.12 -0.28 -0.19 0.02 0.17 -0.07 -0.01 0.11 0.26 -0.26 -0.30 0.36 0.01 0.02 0.00 0.01 -0.01 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.02 0.02 -0.03 -0.03 -0.11 0.07 0.08 0.04 0.01 0.10 -0.07 0.23 -0.12 0.12 -0.13 0.05 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.03 -0.00 0.01 0.07 -0.05 0.05 -0.00 -0.03 0.01 -0.00 -0.01 0.00 -0.03 0.06 -0.06 0.01 0.01 0.00 -0.03 0.00 0.08 -0.00 0.01 0.07 0.04 0.00 -0.05 0.02 -0.04 -0.11 0.05 0.05 -0.10 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.03 -0.03 -0.03 0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 -0.07 0.01 -0.05 0.01 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.02 -0.00 0.06 -0.03 -0.01 -0.03 0.08 -0.07 0.01 -0.14 -0.13 -0.33 -0.21 0.17 0.29 -0.02 -0.03 0.12 0.33 -0.32 -0.35 0.43 0.02 0.02 -0.00 0.01 -0.01 0.00 -0.04 -0.04 -0.02 0.06 0.01 0.01 0.07 0.00 0.01 -0.04 -0.04 -0.01 -0.06 0.04 0.03 0.06 -0.01 -0.05 0.03 0.02 -0.04 -0.03 -0.02 -0.05 0.05 -0.14 0.07 -0.07 0.06 -0.03 -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 -0.03 0.01 0.00 -0.00 0.00 -0.02 0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.02 -0.04 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.00 -0.00 0.01 -0.00 -0.08 -0.00 -0.02 0.05 0.06 0.03 0.01 -0.00 0.00 0.05 0.05 0.02 -0.08 0.01 -0.01 0.01 -0.05 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.02 0.01 0.00 0.02 0.01 0.03 0.02 -0.02 -0.03 -0.00 0.00 -0.01 -0.03 0.03 0.03 -0.04 0.05 0.07 0.01 0.04 -0.02 0.01 -0.33 -0.37 -0.14 0.45 0.04 0.05 0.54 0.02 0.10 -0.29 -0.29 -0.11 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.05 -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 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.11 0.07 0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.01 0.03 0.01 -0.02 -0.04 -0.01 0.00 -0.01 -0.01 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 -0.46 0.42 0.26 0.49 -0.10 -0.43 0.05 0.24 -0.14 -0.02 0.04 -0.01 -0.01 0.01 0.01 0.01 -0.03 0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.05 -0.05 -0.11 -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 0.01 -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 0.04 -0.02 -0.02 -0.02 0.00 0.03 -0.01 -0.01 0.02 -0.30 0.57 -0.23 -0.09 0.09 0.29 0.13 -0.41 0.47 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.03 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.03 -0.02 -0.00 -0.02 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.02 0.05 0.03 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 -0.01 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 -0.01 -0.01 -0.02 -0.14 -0.30 -0.11 -0.12 -0.33 -0.12 -0.07 0.21 0.61 0.28 0.32 -0.37 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 -0.01 0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.02 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 0.02 -0.01 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 -0.00 -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 0.01 -0.00 -0.01 0.00 -0.00 0.02 0.04 0.01 0.06 0.01 0.01 0.00 -0.00 0.00 -0.05 0.01 -0.01 -0.03 -0.04 -0.02 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.02 0.01 0.00 -0.00 0.00 0.27 0.40 0.14 0.49 -0.02 0.06 -0.43 0.04 -0.06 -0.30 -0.43 -0.15 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 -0.02 0.01 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.01 0.10 0.05 0.02 -0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.03 -0.02 -0.00 -0.00 -0.00 -0.00 -0.01 -0.04 -0.05 0.02 0.03 -0.03 0.00 0.02 0.02 -0.01 -0.02 -0.00 0.00 0.02 0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.03 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 -0.02 -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 -0.01 -0.12 -0.07 -0.03 0.00 0.06 0.02 0.01 0.05 0.04 -0.03 -0.06 -0.02 0.03 0.10 0.05 -0.01 0.08 0.15 -0.03 -0.04 0.02 -0.03 -0.02 -0.00 -0.01 0.01 -0.01 0.02 0.03 0.01 0.04 -0.00 0.00 -0.02 0.00 -0.00 -0.02 -0.03 -0.01 0.04 0.01 0.01 0.06 -0.01 -0.00 -0.04 0.02 0.02 0.35 0.00 0.27 -0.26 0.51 -0.35 0.44 -0.14 0.15 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.05 -0.10 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 -0.00 -0.00 0.00 -0.01 -0.02 -0.03 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.07 0.14 -0.00 -0.01 -0.00 0.00 0.02 0.01 0.00 0.03 0.02 0.00 0.01 -0.00 0.02 0.05 0.03 -0.00 0.03 0.05 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.45 -0.05 -0.00 -0.44 0.13 -0.09 0.56 -0.29 -0.36 0.01 0.01 0.01 -0.01 0.02 -0.01 0.02 -0.02 0.02 0.00 -0.00 0.00 0.00 0.02 -0.01 -0.01 -0.02 -0.02 0.05 0.02 0.02 -0.01 -0.02 0.00 0.00 -0.01 0.00 0.02 0.03 0.00 -0.00 0.00 -0.00 0.05 0.19 0.18 -0.02 0.02 0.09 -0.02 -0.08 -0.09 0.01 0.04 0.03 0.01 -0.05 -0.10 -0.02 0.02 -0.01 0.01 0.01 0.00 -0.04 -0.08 -0.02 0.01 0.02 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.02 -0.05 -0.03 -0.01 -0.01 -0.20 -0.10 -0.02 -0.20 -0.13 -0.01 -0.04 0.02 -0.16 -0.47 -0.25 0.01 -0.24 -0.43 0.01 0.02 0.01 0.09 0.06 0.01 0.02 -0.03 0.01 -0.01 -0.01 -0.01 -0.04 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.02 0.00 -0.05 -0.03 -0.01 -0.09 0.02 0.00 0.08 -0.05 -0.05 0.15 0.01 0.12 -0.11 0.21 -0.14 0.20 -0.07 0.07 0.00 -0.00 -0.00 -0.04 0.03 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.07 0.20 -0.06 0.00 -0.01 0.01 0.07 -0.06 0.03 0.00 0.03 0.01 -0.00 0.00 0.01 -0.01 -0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.09 -0.04 0.04 -0.07 0.05 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.03 -0.06 0.00 0.08 -0.04 0.03 -0.01 -0.04 -0.01 0.04 -0.02 0.00 -0.01 0.00 -0.00 0.02 -0.00 0.00 0.00 -0.03 -0.01 -0.02 0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.27 0.02 -0.01 -0.11 -0.03 -0.02 -0.03 -0.01 -0.01 -0.02 -0.02 -0.00 -0.02 -0.04 -0.00 -0.00 0.00 -0.57 -0.53 -0.03 -0.17 0.15 -0.08 -0.06 -0.12 -0.03 0.33 -0.04 0.03 0.04 -0.00 0.01 -0.04 -0.09 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.02 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.00 0.01 -0.03 -0.01 -0.01 0.05 0.00 0.03 0.01 -0.03 0.02 -0.00 0.01 -0.00 0.15 0.10 0.02 0.01 0.01 0.00 -0.08 -0.14 0.03 -0.10 -0.13 0.07 0.04 0.01 -0.00 0.05 0.05 -0.07 -0.01 -0.03 -0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 0.01 0.01 -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 -0.14 0.04 -0.09 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 -0.01 0.00 -0.13 0.08 -0.07 0.38 0.01 0.31 0.68 0.12 -0.07 -0.13 -0.04 0.01 0.04 0.02 0.11 0.15 -0.11 -0.04 -0.04 -0.00 -0.02 0.01 -0.01 0.00 0.01 0.00 0.02 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.04 -0.01 -0.01 0.01 -0.01 0.01 -0.08 0.04 0.05 0.08 -0.04 0.04 0.01 -0.04 0.03 0.07 -0.04 0.07 0.00 0.00 0.00 0.03 -0.05 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.14 0.07 -0.06 -0.00 0.01 -0.01 0.03 -0.06 0.02 -0.00 -0.02 -0.00 -0.00 -0.01 -0.01 0.01 0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.04 0.13 -0.04 0.08 0.18 0.06 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.03 -0.18 0.03 -0.03 0.05 -0.02 0.03 -0.02 0.00 0.08 -0.03 0.01 0.01 -0.01 0.01 0.03 -0.07 -0.01 -0.06 -0.03 -0.02 -0.03 0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.20 0.01 0.01 0.06 0.01 0.00 -0.00 -0.00 0.02 0.04 0.02 0.00 0.01 0.02 0.01 0.01 -0.01 0.42 0.22 0.08 0.40 -0.29 0.19 -0.18 -0.34 -0.10 0.10 -0.03 0.02 -0.30 -0.05 -0.07 -0.06 -0.03 -0.02 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.04 -0.00 0.01 0.01 0.01 0.00 -0.03 -0.00 -0.01 -0.01 0.02 -0.01 -0.00 0.02 -0.00 -0.08 -0.07 -0.02 0.03 0.01 0.01 -0.05 -0.08 0.07 0.07 0.13 0.01 0.04 -0.01 -0.03 0.01 0.02 -0.00 0.04 0.07 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.05 -0.02 -0.05 -0.02 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.08 -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 0.01 0.01 -0.01 0.01 0.02 -0.33 0.02 -0.10 0.52 -0.00 0.14 0.31 0.08 -0.17 -0.49 -0.20 -0.02 0.07 0.16 -0.12 -0.16 0.11 -0.06 -0.06 -0.00 -0.02 0.01 -0.01 0.00 0.00 0.00 0.02 -0.00 0.00 0.02 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.04 -0.02 -0.03 -0.04 0.02 -0.02 -0.01 0.03 -0.02 -0.04 0.02 -0.04 0.00 0.00 0.00 0.04 -0.01 0.00 -0.01 0.00 -0.00 0.01 -0.01 0.01 0.02 0.03 0.00 -0.01 -0.02 0.00 0.00 -0.11 0.05 -0.03 -0.01 -0.00 0.02 0.00 -0.12 0.01 0.13 0.18 -0.02 0.02 0.02 -0.05 -0.12 -0.03 -0.01 -0.06 -0.04 0.01 0.02 -0.00 0.02 0.01 0.00 -0.00 0.04 0.08 0.06 0.04 -0.11 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.08 0.04 -0.06 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.02 0.43 0.07 0.09 -0.30 0.03 0.16 0.41 0.12 -0.15 -0.35 -0.15 0.01 0.02 0.03 -0.20 -0.24 0.21 0.08 0.07 0.00 0.05 -0.03 0.02 -0.02 -0.03 -0.01 -0.01 0.00 0.00 -0.05 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.02 -0.00 -0.01 0.00 -0.01 -0.00 0.02 -0.05 -0.01 0.04 -0.10 0.07 -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 0.04 -0.03 0.02 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.06 0.08 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.02 -0.00 -0.02 -0.01 -0.00 -0.08 -0.15 -0.04 0.13 -0.03 0.02 -0.00 0.00 -0.00 0.10 -0.03 0.01 -0.02 -0.11 -0.03 -0.12 0.25 0.03 -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 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.03 0.04 -0.00 -0.02 -0.00 -0.00 0.27 0.36 0.11 -0.45 0.00 -0.07 0.50 -0.07 0.08 -0.16 -0.34 -0.10 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.05 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.02 0.00 -0.01 0.02 -0.02 -0.04 -0.02 -0.01 -0.09 -0.06 0.08 0.00 -0.02 -0.04 -0.02 -0.03 -0.04 0.03 0.06 0.01 0.04 0.08 0.01 0.03 0.02 0.00 0.02 0.00 0.00 0.01 -0.02 -0.08 -0.03 -0.04 0.04 -0.02 0.00 -0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.02 -0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.08 0.80 0.18 0.06 -0.39 -0.06 0.05 0.12 0.03 -0.08 -0.19 -0.08 -0.02 0.06 0.13 0.01 0.00 -0.02 0.07 0.08 0.00 0.05 -0.02 0.02 0.00 0.01 0.00 -0.06 0.01 -0.01 -0.00 -0.01 -0.00 -0.03 -0.03 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.02 -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 0.00 -0.00 -0.00 -0.00 0.00 0.10 -0.06 0.04 -0.00 0.00 -0.00 -0.02 0.03 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.14 0.12 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.05 -0.01 -0.03 -0.02 -0.01 -0.04 -0.05 -0.02 0.02 -0.00 0.01 0.00 -0.00 0.00 0.12 0.01 0.03 -0.05 -0.11 -0.03 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 -0.05 -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 -0.02 0.02 -0.01 -0.07 0.00 -0.02 -0.16 -0.23 -0.09 0.48 -0.04 0.05 -0.46 0.07 -0.06 0.34 0.46 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 0.01 0.00 -0.00 0.02 -0.01 0.03 -0.03 0.01 -0.02 -0.07 -0.09 0.00 0.01 0.01 0.00 -0.09 0.28 -0.21 0.00 -0.00 0.00 -0.01 -0.01 -0.04 -0.04 -0.09 0.16 0.00 0.02 0.01 -0.03 -0.11 -0.07 -0.05 -0.10 -0.03 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.05 0.07 0.05 0.08 -0.06 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.28 -0.10 0.17 -0.01 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.05 0.02 -0.01 0.10 0.04 0.03 -0.21 -0.03 0.21 0.48 0.10 0.06 0.02 0.04 0.02 0.04 0.03 -0.03 -0.03 0.07 -0.03 -0.03 -0.00 -0.04 0.01 -0.01 0.01 0.01 0.01 0.00 -0.00 0.00 0.03 0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.04 0.01 0.02 0.05 -0.00 -0.04 -0.14 0.19 -0.03 -0.11 0.32 -0.22 -0.07 0.11 -0.22 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 -0.11 -0.10 -0.01 -0.01 0.00 -0.00 -0.01 0.03 -0.01 0.01 0.04 -0.00 0.01 0.02 0.01 -0.01 -0.10 -0.04 0.00 -0.01 -0.01 -0.02 -0.05 -0.02 0.10 -0.09 0.05 0.07 0.02 0.01 -0.01 0.01 0.04 0.01 0.01 -0.00 -0.03 0.04 -0.02 0.04 0.06 -0.00 -0.02 0.01 0.00 0.06 0.02 0.02 0.02 -0.00 0.01 0.05 -0.01 0.01 -0.05 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.47 -0.02 -0.09 0.71 0.10 -0.04 -0.08 -0.05 0.06 0.13 0.04 0.02 -0.05 -0.13 0.05 0.06 -0.06 -0.03 0.06 -0.02 0.08 0.05 0.01 -0.04 -0.02 -0.01 -0.16 0.04 -0.02 -0.22 0.01 -0.04 -0.02 0.05 0.01 -0.01 0.01 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 0.02 -0.01 -0.02 0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.17 0.07 0.04 -0.01 -0.01 0.00 -0.14 -0.14 -0.01 0.00 0.02 0.00 0.01 0.02 0.00 0.02 -0.08 -0.03 0.00 -0.01 -0.02 -0.01 -0.04 -0.02 0.09 0.23 -0.02 -0.08 -0.01 -0.01 -0.00 0.02 0.04 0.00 0.00 0.00 -0.11 -0.04 -0.02 0.04 -0.07 0.03 0.03 -0.02 0.00 -0.07 -0.02 -0.02 0.01 0.00 0.00 -0.06 0.00 -0.01 0.06 0.00 0.01 0.01 0.02 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.27 0.06 -0.04 0.64 0.11 -0.04 -0.07 -0.05 0.05 0.12 0.03 0.02 -0.05 -0.13 0.06 0.07 -0.07 0.23 0.27 0.01 -0.03 -0.03 0.00 0.03 -0.02 -0.00 0.19 -0.05 0.03 0.25 -0.02 0.04 0.03 -0.05 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.04 -0.00 0.00 0.00 -0.00 -0.06 -0.09 0.00 0.01 -0.01 -0.01 -0.01 -0.02 -0.00 0.02 0.06 0.04 -0.00 0.00 0.01 0.01 0.03 0.02 0.09 0.16 -0.01 0.07 -0.05 -0.00 0.00 -0.01 -0.03 0.00 0.00 -0.00 -0.14 0.07 -0.06 0.20 -0.11 0.09 -0.08 0.00 -0.01 0.12 0.05 0.03 -0.00 -0.00 -0.00 0.09 0.03 0.02 -0.10 -0.01 -0.02 0.02 -0.06 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.06 -0.41 -0.11 -0.06 -0.33 -0.13 0.02 0.03 0.03 -0.03 -0.07 -0.01 -0.01 0.03 0.09 -0.04 -0.05 0.06 -0.09 0.16 -0.06 -0.21 0.22 -0.12 0.00 0.14 0.03 -0.37 0.10 -0.04 -0.32 0.08 -0.04 -0.01 0.16 0.04 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 0.03 -0.02 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.05 0.17 -0.01 -0.00 -0.01 0.00 0.02 -0.02 0.01 -0.01 -0.00 0.01 0.01 0.02 0.00 -0.01 -0.02 -0.04 0.00 -0.00 -0.01 -0.00 -0.02 -0.02 -0.07 0.01 -0.02 0.04 -0.13 -0.01 0.00 0.01 0.02 -0.01 -0.01 0.01 0.06 -0.10 0.04 -0.10 0.02 -0.04 -0.15 -0.09 -0.05 0.08 0.08 0.03 -0.00 0.00 -0.00 0.05 0.11 0.04 -0.12 -0.03 -0.03 0.09 -0.11 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.09 0.14 0.22 0.17 0.17 0.17 -0.01 -0.02 -0.02 0.03 0.06 0.01 0.01 -0.02 -0.09 0.05 0.05 -0.07 0.10 -0.10 0.05 0.09 -0.14 0.06 0.21 0.47 0.14 -0.27 0.12 -0.00 -0.08 0.15 0.02 0.13 0.36 0.11 0.04 -0.01 0.00 0.04 -0.00 -0.01 0.03 -0.02 -0.04 -0.01 0.01 -0.00 0.01 -0.01 -0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.01 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 0.00 -0.09 0.02 0.03 0.00 -0.00 0.00 -0.01 -0.01 0.03 0.02 -0.00 0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.03 0.01 0.02 -0.02 -0.01 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.02 -0.00 0.58 -0.10 0.06 0.45 -0.02 -0.05 0.39 -0.18 -0.49 -0.01 0.00 -0.01 -0.00 0.02 -0.01 -0.02 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.02 -0.00 0.00 0.01 0.00 0.01 0.01 0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.05 0.02 -0.00 0.00 -0.00 0.06 0.04 -0.16 -0.14 0.01 -0.10 -0.01 -0.01 0.00 -0.01 -0.03 -0.00 -0.01 0.01 0.03 -0.02 -0.02 0.03 0.03 0.02 0.01 0.03 -0.02 0.01 0.01 0.02 0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.01 0.02 0.01 0.38 0.09 0.13 -0.50 0.03 -0.18 0.05 0.63 -0.27 0.02 -0.02 0.01 0.01 -0.03 0.01 0.02 -0.01 0.02 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.03 -0.00 -0.01 -0.01 0.00 0.02 0.00 0.01 -0.02 -0.01 0.02 0.02 0.03 0.00 -0.01 0.00 -0.07 0.00 -0.01 -0.02 -0.00 -0.02 -0.02 -0.06 0.04 -0.03 -0.00 0.01 0.00 0.00 0.03 0.03 -0.02 -0.02 0.02 0.01 0.04 -0.01 0.03 -0.05 0.02 0.02 0.02 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.00 0.01 0.01 0.00 -0.02 0.01 -0.00 0.01 -0.02 0.01 -0.00 0.00 -0.00 -0.23 -0.13 0.56 0.49 -0.01 0.36 0.01 0.01 -0.02 0.04 0.09 0.01 0.02 -0.02 -0.12 0.08 0.08 -0.10 -0.10 -0.06 -0.02 -0.11 0.06 -0.05 -0.05 -0.07 -0.02 -0.02 -0.01 -0.01 -0.05 -0.02 -0.01 -0.04 -0.06 -0.02 0.08 0.02 0.03 -0.21 0.02 -0.08 -0.02 0.24 -0.05 0.02 0.00 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 0.03 -0.02 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.00 -0.00 0.00 -0.01 -0.03 -0.00 0.00 0.02 0.02 0.00 0.01 0.01 0.01 0.02 -0.01 0.01 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.03 -0.02 -0.03 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 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 0.05 -0.05 0.00 0.03 0.00 -0.06 -0.06 -0.05 -0.06 -0.01 -0.04 -0.04 0.01 0.01 -0.02 0.02 -0.04 -0.13 0.06 0.06 -0.10 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.03 0.01 -0.04 -0.02 0.04 0.02 0.02 0.17 0.03 -0.24 0.58 0.21 -0.58 0.12 -0.31 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.02 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.02 0.05 0.00 -0.01 -0.04 -0.03 -0.01 -0.02 -0.02 -0.02 -0.02 0.02 -0.01 -0.00 0.03 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.05 0.03 0.05 -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 0.02 -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 0.00 -0.06 -0.04 -0.01 0.09 0.09 0.08 0.09 0.01 0.05 0.05 -0.02 -0.03 0.03 -0.03 0.06 0.21 -0.10 -0.10 0.15 0.01 0.01 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.01 0.03 0.02 0.02 -0.01 0.04 0.02 -0.03 -0.02 0.55 -0.03 0.30 -0.15 -0.04 0.63 -0.17 -0.03 0.01 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.03 0.01 -0.02 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.02 0.00 -0.02 0.00 0.00 0.00 -0.04 -0.08 0.01 0.02 0.06 0.05 0.02 0.03 0.03 0.03 0.02 -0.05 0.01 -0.01 -0.06 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.06 0.08 -0.05 -0.08 0.04 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 -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 -0.04 0.02 -0.04 0.09 0.05 -0.20 -0.21 -0.14 -0.20 0.00 -0.04 -0.08 0.05 0.07 -0.05 0.06 -0.09 -0.37 0.18 0.18 -0.28 -0.02 -0.02 -0.00 -0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.03 0.00 -0.00 0.01 -0.00 0.02 0.00 -0.03 0.01 0.38 -0.03 0.21 0.01 -0.33 0.36 0.19 -0.05 0.10 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 -0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 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 -0.02 -0.05 0.02 0.00 0.01 -0.00 0.00 0.03 0.01 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 -0.01 0.00 0.02 -0.02 -0.02 0.02 -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 0.01 -0.02 -0.01 0.00 0.00 -0.03 -0.00 0.01 -0.00 0.01 0.66 0.14 0.04 -0.21 0.06 0.36 0.31 -0.50 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -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 -0.05 0.00 -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 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.62 0.29 -0.10 -0.08 0.68 0.11 -0.10 -0.15 -0.03 0.03 -0.01 -0.00 0.02 -0.02 -0.00 0.02 -0.03 -0.00 -0.00 -0.00 -0.07 0.06 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 0.03 0.01 -0.00 -0.00 -0.01 -0.05 0.02 -0.02 -0.01 -0.03 0.01 0.00 0.02 0.02 -0.01 0.05 -0.02 0.00 -0.00 -0.02 0.01 0.00 -0.02 0.18 -0.17 0.09 0.02 0.02 0.01 0.00 0.02 0.02 -0.02 -0.03 0.02 -0.15 -0.09 -0.03 0.04 0.13 -0.02 -0.00 -0.04 -0.01 -0.04 0.02 -0.00 0.01 0.00 0.00 -0.05 0.02 -0.00 -0.01 -0.05 -0.01 0.03 0.02 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.14 -0.35 0.30 0.32 -0.34 0.15 0.02 0.01 -0.01 0.01 0.01 -0.02 0.02 -0.01 -0.09 0.06 0.06 -0.08 0.28 0.31 0.01 0.24 0.03 0.06 0.09 0.09 0.03 0.17 0.00 0.03 0.17 -0.00 0.03 0.11 0.12 0.05 0.00 -0.01 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.01 0.06 0.02 0.00 -0.03 0.02 0.04 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 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.05 0.03 -0.00 0.00 -0.00 -0.02 0.05 0.16 0.08 0.10 -0.10 0.01 0.00 -0.01 -0.06 -0.14 -0.03 -0.06 -0.15 -0.05 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 0.03 -0.09 -0.01 0.03 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 -0.01 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 0.05 -0.01 -0.14 -0.14 -0.17 -0.18 0.21 0.52 0.17 0.19 0.46 0.15 0.01 0.17 0.25 0.12 0.20 -0.07 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.03 0.04 -0.01 -0.00 0.02 -0.01 -0.01 0.02 -0.04 0.00 0.00 0.00 -0.02 0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.10 0.07 0.02 -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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.06 -0.05 0.03 -0.15 -0.08 -0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.05 0.01 -0.05 0.05 -0.03 -0.01 0.09 0.02 0.09 -0.06 0.00 0.00 -0.00 0.00 0.16 -0.03 0.02 0.06 0.15 0.05 -0.11 -0.06 -0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.06 0.04 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.13 0.07 0.01 0.10 -0.06 0.04 -0.26 -0.25 -0.10 -0.46 -0.03 -0.07 -0.47 0.02 -0.08 -0.28 -0.35 -0.13 -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 -0.09 0.00 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.11 -0.07 -0.02 -0.00 0.00 -0.00 -0.16 -0.09 -0.03 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.04 -0.00 -0.01 -0.01 -0.00 0.01 0.01 -0.01 0.36 0.16 0.07 0.03 0.06 0.02 0.01 0.01 -0.01 -0.01 -0.01 0.02 0.29 0.11 0.06 -0.27 -0.02 -0.08 -0.01 -0.05 -0.01 0.01 -0.02 -0.00 0.00 -0.00 0.01 -0.02 0.03 0.00 0.00 0.04 0.01 0.02 -0.06 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.05 -0.29 0.12 0.14 -0.16 0.05 0.02 0.02 0.01 0.00 0.00 -0.01 0.01 0.01 -0.00 0.02 0.02 -0.03 -0.27 -0.44 0.03 0.11 -0.35 0.12 0.07 0.07 0.03 -0.02 -0.02 -0.01 0.04 0.03 0.01 -0.05 -0.02 -0.01 0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.02 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 0.02 -0.01 -0.00 -0.00 -0.15 -0.14 0.25 0.08 0.02 -0.26 0.02 0.02 -0.02 0.08 0.10 -0.11 -0.08 -0.09 0.12 0.02 -0.00 0.01 -0.01 0.02 0.00 -0.09 -0.01 0.29 0.18 0.17 -0.28 0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.01 0.00 -0.01 0.01 -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 -0.02 0.01 -0.06 -0.23 -0.15 -0.00 -0.12 -0.19 -0.05 0.02 0.18 -0.03 -0.23 -0.28 -0.25 -0.31 0.27 -0.00 -0.01 -0.00 0.01 -0.01 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.07 0.01 -0.00 0.00 -0.00 0.04 0.04 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.06 -0.04 -0.01 -0.17 0.37 0.04 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.06 0.01 -0.02 0.06 -0.00 0.02 0.00 -0.25 -0.05 0.18 -0.17 -0.01 0.00 0.00 -0.00 -0.17 0.16 0.00 0.01 0.26 0.06 0.15 -0.32 -0.05 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.01 -0.01 0.03 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.01 0.01 0.01 0.01 -0.01 0.04 0.12 -0.02 -0.04 0.08 -0.03 0.28 0.12 0.07 -0.27 -0.16 -0.08 0.25 0.14 0.07 -0.29 -0.15 -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 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.01 0.01 -0.00 0.00 -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 0.02 -0.01 0.01 -0.22 -0.08 -0.05 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.01 0.01 -0.03 0.01 -0.01 0.23 0.19 0.08 0.32 0.04 0.07 0.00 -0.00 -0.00 -0.27 -0.05 -0.06 -0.21 -0.15 -0.07 0.12 0.03 0.03 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 -0.01 -0.03 -0.00 0.00 -0.03 0.01 -0.14 -0.37 -0.10 -0.45 0.10 -0.05 0.29 -0.10 0.03 0.06 0.27 0.08 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.03 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.07 -0.19 -0.10 0.04 0.18 0.19 0.01 0.03 0.02 0.11 0.30 0.14 -0.12 -0.29 -0.12 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.17 -0.20 0.07 0.16 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 0.05 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 -0.01 0.01 0.05 0.02 -0.08 0.00 -0.18 -0.42 -0.08 0.16 0.35 0.09 -0.10 -0.01 0.31 -0.04 0.05 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 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.02 -0.01 0.01 0.01 -0.03 0.02 0.02 -0.01 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.05 -0.05 -0.00 -0.22 -0.39 0.06 -0.00 -0.00 -0.00 0.00 -0.11 0.07 0.00 -0.00 -0.00 0.02 0.04 0.00 -0.01 -0.04 -0.03 -0.00 -0.00 0.00 -0.02 -0.04 -0.02 0.02 0.05 0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 0.02 0.01 -0.01 -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 0.34 0.69 -0.13 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.03 -0.02 0.00 -0.01 -0.01 -0.00 0.00 0.01 0.03 0.06 0.02 -0.03 -0.06 -0.02 0.01 0.01 -0.02 0.01 0.00 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.06 0.01 -0.03 -0.01 0.04 -0.04 0.03 0.05 0.13 -0.07 0.03 0.06 -0.23 0.13 0.11 -0.01 0.11 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.03 -0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.08 -0.27 0.52 0.06 0.68 0.06 -0.32 -0.09 -0.26 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 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 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.37 -0.09 0.59 0.41 0.16 0.09 0.03 -0.46 -0.29 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.45 -0.01 0.15 -0.56 -0.18 0.66 0.01 0.00 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.08 0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.08 0.31 -0.64 0.07 0.67 0.08 0.08 0.01 0.08 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.83 -0.02 0.29 0.28 0.09 -0.35 -0.01 -0.00 0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.02 -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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.17 0.31 0.02 0.22 0.01 0.68 0.20 0.56 0.02 0.00 -0.03 0.01 0.00 0.00 0.00 -0.03 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.05 -0.03 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.00 0.03 0.01 0.02 -0.36 -0.09 0.56 -0.23 -0.10 -0.07 -0.02 0.58 0.36 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.07 -0.06 -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 0.00 -0.00 -0.00 -0.00 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 -0.14 0.78 0.30 0.17 -0.03 0.40 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.03 0.01 -0.06 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.04 0.01 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 -0.01 0.00 -0.00 -0.02 -0.00 0.03 -0.29 -0.10 0.71 -0.04 -0.02 0.10 0.28 0.46 -0.13 -0.04 -0.19 -0.19 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 -0.04 -0.01 -0.00 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.02 -0.00 -0.01 -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 0.00 -0.00 -0.01 -0.00 0.02 -0.20 -0.07 0.48 0.13 0.05 -0.33 -0.16 -0.27 0.07 0.10 0.48 0.49 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 -0.03 0.02 0.01 -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 0.03 0.05 -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 -0.00 0.00 0.00 -0.00 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 -0.12 -0.04 0.29 -0.23 -0.09 0.58 -0.34 -0.56 0.15 -0.03 -0.16 -0.16 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 -0.06 -0.02 0.00 -0.00 -0.00 -0.00 -0.02 -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 -0.00 0.00 0.00 -0.00 -0.00 -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 0.02 0.00 0.00 -0.00 0.11 -0.08 0.00 0.02 0.73 0.19 0.01 0.25 0.06 0.48 -0.33 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 0.02 0.01 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.03 0.01 -0.01 -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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.05 0.02 -0.12 -0.25 -0.11 0.62 0.18 0.30 -0.09 0.09 0.43 0.43 -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 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.02 0.00 0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.07 -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 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.32 -0.22 0.00 -0.01 -0.20 -0.05 0.04 0.85 0.20 -0.16 0.11 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.05 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.06 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 -0.02 0.03 -0.02 -0.00 -0.01 0.00 0.08 -0.05 0.00 -0.02 -0.59 -0.16 -0.00 -0.01 -0.00 0.65 -0.44 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.07 0.04 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 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 0.75 -0.51 0.01 0.00 0.03 0.01 -0.02 -0.40 -0.10 -0.07 0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 -0.02 -0.03 -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 -0.00 0.00 0.00 0.00 -0.00 0.44 -0.51 0.27 0.41 0.54 -0.01 -0.00 0.00 0.00 -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 0.02 -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 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.41 0.47 -0.25 0.45 0.57 -0.01 0.00 -0.00 0.00 0.00 0.03 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 17 8 8 8 8 7 7 7 6 6 6 6 6 6 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 1 298.150 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 42 43 44 45 17 8 8 8 8 7 7 7 6 6 6 6 6 6 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 34.96885 15.99491 15.99491 15.99491 15.99491 14.00307 14.00307 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 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 387.09858 0.99993 -0.01167 -0.00349 0.01161 0.99977 -0.01788 0.0037 0.01784 0.99983 asymmetric 1 0.01548 0.00509 0.00456 0.32260 0.10605 0.09502 907276.6 13.77 32.01 40.55 60.26 81.99 89.05 99.52 117.94 120.50 130.19 155.36 195.71 209.42 220.11 238.47 265.26 287.87 311.70 372.81 393.23 411.86 429.52 475.22 483.11 515.57 545.84 557.86 579.09 607.20 656.84 668.57 679.19 727.67 751.61 765.71 794.13 863.40 880.76 916.76 925.76 966.14 1012.06 1017.73 1032.85 1070.43 1087.26 1090.26 1096.85 1112.53 1133.92 1188.13 1211.82 1215.64 1252.11 1279.27 1347.03 1371.36 1382.94 1399.20 1415.19 1422.58 1430.64 1453.41 1456.19 1470.61 1479.07 1507.63 1537.71 1550.50 1558.97 1581.65 1623.85 1638.52 1641.04 1682.75 1683.05 1704.23 1734.14 1739.22 1742.71 1749.24 1800.70 1821.45 1852.61 1858.98 1887.63 1900.84 1918.80 1927.68 1942.08 2012.72 2039.44 2056.86 2089.10 2098.76 2112.51 2114.16 2121.18 2123.80 2127.17 2134.64 2139.40 2162.97 2187.85 2195.35 2266.22 2323.41 2329.76 2346.37 2359.72 2462.00 4349.82 4391.52 4401.70 4460.81 4485.86 4508.73 4509.69 4547.11 4554.18 4569.19 4583.46 4595.59 4598.13 4598.97 4615.33 4621.93 4685.31 4707.29 0.345563 0.370210 0.371155 0.287571 -1660.204172 -1660.179525 -1660.178581 -1660.262164 232.310 92.270 175.916 0.000 0.000 0.000 0.889 2.981 43.753 0.889 2.981 35.846 230.533 86.308 96.317 1 0.593 1.987 8.099 2 0.593 1.985 6.423 3 0.593 1.984 5.953 4 0.595 1.980 5.168 5 0.596 1.975 4.559 6 0.597 1.972 4.396 7 0.598 1.969 4.177 8 0.600 1.961 3.843 9 0.601 1.960 3.801 10 0.602 1.956 3.650 11 0.606 1.943 3.305 12 0.614 1.917 2.859 13 0.617 1.907 2.730 14 0.619 1.899 2.635 15 0.624 1.885 2.483 16 0.631 1.861 2.284 17 0.638 1.840 2.132 18 0.645 1.816 1.987 19 0.668 1.747 1.668 20 0.676 1.723 1.575 21 0.684 1.699 1.496 22 0.692 1.676 1.425 23 0.713 1.615 1.259 24 0.717 1.604 1.232 25 0.733 1.558 1.129 26 0.749 1.514 1.042 27 0.756 1.496 1.009 28 0.768 1.465 0.954 29 0.784 1.422 0.885 30 0.815 1.346 0.776 31 0.822 1.328 0.753 32 0.829 1.312 0.732 33 0.861 1.237 0.644 34 0.877 1.200 0.604 35 0.887 1.179 0.582 36 0.907 1.135 0.540 37 0.958 1.032 0.449 38 0.971 1.006 0.429 0.472584e+27 26.674479 61.420259 0.103714e+12 11.015836 25.364899 0.100000e+01 0.000000 0.000000 0.299355e+09 8.476186 19.517140 0.152215e+08 7.182458 16.538220 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.9573 2.2001 1.0234 2.6085 -173.5878 -148.6867 -158.3559 -28.4335 -1.1064 -0.4368 -13.3777 11.5234 1.8543 -28.4335 -1.1064 -0.4368 -180.1713 -2.4975 21.2798 54.3738 4.1804 -11.7449 -35.1740 12.4203 4.3545 -12.1322 -10738.7163 -2756.5898 -1397.2764 -489.2181 -93.1244 -40.3386 41.5630 7.1463 -65.0750 -2339.8312 -2072.4557 -735.6556 79.4543 11.2385 -24.1421 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1660.5497358 3.626E-9 1.023E-5 0.3455634 0.3702103 -1660.1795255 -1660.1785813 -1660.2621645 -16.9640855,15.5306091,1.4334763,16.3910833,0.163235,0.7523348 C01 [X(C19H18Cl1N3O4)] -0.5328617 0.8014832 -0.3561863 -1.1202199 0.2401519 -0.2365802 0.2646866 -0.2084429 0.0686798 -0.2479232 0.0667318 -0.1512113 -1.510484 -0.623213 -0.3622147 -0.8977523 -1.435064 -0.2589828 -0.5464431 -0.3781533 -0.6586419 -0.9370048 0.009755 0.1819876 -0.1073633 -0.5140084 -0.0416557 0.1309575 -0.1536197 -0.4509639 -1.5368609 -0.517787 -0.7008134 -0.1496263 -0.894592 -0.3746881 -0.4941051 -0.4871358 -0.9043367 -1.2112755 0.6071452 0.1318813 0.5908711 -1.5830587 -0.4002996 0.1591402 -0.3919121 -0.7050239 -1.8113935 0.3169372 -0.3207569 0.677669 -0.1786093 0.2261431 -0.1538321 0.0335496 -0.0495867 0.1082044 -0.3158648 -0.0208928 -0.1228965 -1.2590327 -0.4999617 0.2833659 -0.306583 -0.4209321 -0.2551279 -0.0977036 0.0809938 0.62859 -0.7091303 0.0169207 0.0820653 -0.1053997 -0.2915497 0.0336058 -0.0117845 0.0811903 0.0081962 -0.1002434 -0.186137 -0.0035559 -0.0723174 -0.1409657 0.2267724 -0.3740903 -0.2921995 -0.342418 0.5649006 0.1897566 -0.2667785 -0.0126006 0.1695397 0.3402829 0.0986369 -0.0840668 0.3579084 1.3023871 0.0389917 0.0897087 0.1633754 0.5747007 -0.0925192 -0.034116 -0.1447602 -0.0389303 -0.2331131 0.0712441 -0.0380539 -0.0061161 0.0305559 -0.1604173 0.0498395 0.0033562 -0.027377 -0.127735 0.0397274 -0.0614474 0.0399935 0.0125868 1.401951 0.8287496 0.3352388 1.2428057 1.0454171 0.4504141 0.6449189 0.4149191 0.4351615 1.9125589 -0.3280485 0.3495159 -0.4958511 0.167036 -0.1473391 0.3192618 -0.1016336 0.1322006 -0.059697 -0.0977576 -0.0416631 -0.1141589 -0.0088647 -0.0239402 -0.0308645 -0.0615084 0.0102182 -0.1138197 -0.0904143 0.0432594 -0.0866179 -0.0282231 -0.1136882 -0.0017342 -0.0354893 -0.0401577 1.1076629 -0.3664506 0.2086494 -0.8705952 0.100716 -0.1347794 0.11658 -0.0274114 -0.0339058 -0.8816437 0.0031764 -0.1401997 -0.6338907 -0.2646948 -0.1002018 -0.411667 0.0686631 -0.3974398 -0.2570204 0.0260985 -0.0131966 0.3089414 -0.0995015 0.039289 0.0413224 -0.0044106 -0.132223 -0.3325111 0.0670651 -0.0296025 -0.135524 -0.0061055 -0.0615272 -0.0715863 0.0081379 -0.1765069 2.1600918 0.0485743 0.5662599 -0.3958993 2.6363834 0.9526956 0.1734651 1.1946994 1.3001077 -0.1773315 0.0410281 -0.0173076 0.0036256 0.0312239 -0.0187178 0.0156577 -0.0174488 -0.1266996 -0.1522665 0.0631049 -0.0109736 0.10536 -0.0222662 0.0040821 -0.0378261 -0.00461 -0.1368442 1.3064332 -0.3366015 0.3245759 -0.3601172 0.1243127 -0.0923268 0.3331367 -0.0934849 0.0313457 0.7043816 0.2083002 -0.1485609 0.326062 0.4778367 -0.0442497 -0.2921712 -0.0647835 0.3749969 0.4325462 0.2271085 0.1803891 0.2726807 0.6586859 0.3510801 0.1760574 0.3096239 0.6302078 -0.0486895 -0.031504 -0.114127 -0.0205893 -0.0532878 0.0719676 -0.0632694 0.0204396 0.0692051 0.0355161 0.040358 0.1749206 -0.0666704 -0.0326929 -0.0125557 0.0400471 -0.0138283 -0.0570259 0.1053816 0.0458837 0.085766 0.0257933 0.1280572 0.0287995 0.0826342 0.010014 -0.0621929 0.1155563 0.0303747 0.0788268 0.0381451 0.1327927 -0.0129244 0.0850586 0.0007242 -0.0277424 0.0622756 0.1419936 0.0483285 0.1229216 0.0204571 -0.0306729 0.0574959 -0.0263512 0.0944186 0.1347036 0.0757218 -0.0231377 0.0785349 0.0218604 0.0943001 -0.0189949 0.1135668 0.0178616 0.125884 -0.0305072 -0.0382718 -0.0380224 0.1170543 -0.0513789 -0.0365664 -0.0678969 0.1944253 0.0737778 0.0689182 -0.0180506 0.0621637 0.0981315 -0.0398506 -0.0234651 -0.0511794 0.2233405 0.0775711 -0.0472499 -0.0071903 -0.0567936 0.0811745 0.0106207 0.0004478 0.0059798 0.1741254 0.0967499 0.0641293 -0.0289634 0.0477988 -0.0058471 0.0427295 -0.0373973 0.044859 0.1706831 0.1021121 0.0506281 -0.0217327 0.0455759 0.0044601 0.0332246 -0.0340081 0.0317305 0.1676571 0.0218619 -0.0730546 -0.0215004 -0.0695179 0.0699395 0.0024088 -0.0197823 -0.001748 0.1788173 0.020255 -0.0249706 0.0143175 -0.025674 0.0260639 -0.1020601 0.1327558 -0.0374604 -0.1000648 0.0219469 0.083704 0.0092885 -0.0303962 -0.1443654 0.0207887 0.0667569 0.0076267 0.0754014 -0.0859358 -0.0211153 -0.0688969 -0.0191903 0.095455 0.0441691 -0.0897775 0.0289234 0.0109459 0.0163905 -0.0260812 0.1237841 -0.0868163 0.0319243 -0.0159323 0.03884 -0.0655117 -0.111807 -0.0900462 -0.00418 -0.063739 0.0477625 0.059059 -0.0259093 -0.0297026 -0.040991 0.0886116 0.0897909 0.0151119 -0.0531314 -0.0634042 -0.0864503 -0.0082534 -0.0587216 0.0660276 0.0087074 448.8717569|-39.7965718|381.6941273|28.4672279|2.1194927|289.0542882 0.000011537 0.000001033 0.000009514 0.000004947 -0.000002993 0.000007010 0.000020168 -0.000004492 -0.000006197 0.000000003 0.000005499 -0.000015431 0.000001550 -0.000001128 0.000001710 -0.000006237 0.000022426 -0.000008560 0.000024064 0.000036243 0.000004588 -0.000016184 0.000010722 -0.000000724 0.000010828 0.000003494 -0.000001377 -0.000024830 0.000024754 0.000006758 -0.000010175 0.000008139 0.000002038 0.000006320 -0.000004280 0.000002025 0.000007124 -0.000010524 -0.000001659 0.000015308 -0.000012165 -0.000008759 -0.000008959 -0.000004240 0.000010079 0.000004430 0.000002874 -0.000005461 -0.000002966 0.000001505 0.000003031 0.000004691 -0.000019855 0.000009143 -0.000009181 -0.000004996 0.000003697 -0.000002233 0.000005606 0.000003458 -0.000007441 -0.000001519 0.000002570 -0.000017842 -0.000050151 -0.000023109 0.000016483 -0.000003238 0.000008247 0.000017649 0.000000373 0.000010627 -0.000025837 0.000009140 -0.000000692 -0.000018882 -0.000013716 0.000003616 -0.000003185 0.000013406 0.000021963 0.000004464 0.000000688 -0.000011294 0.000001252 -0.000001938 -0.000000419 0.000004210 -0.000001653 -0.000000377 -0.000000639 -0.000002514 -0.000003449 0.000003168 -0.000001197 0.000001336 0.000004090 -0.000001835 -0.000002809 0.000000690 0.000002085 -0.000001978 -0.000001430 -0.000001004 -0.000000433 0.000000779 0.000003490 0.000002602 -0.000000905 0.000003053 0.000002836 0.000000180 0.000004979 0.000004368 -0.000003624 0.000002134 0.000006362 0.000001153 -0.000002444 -0.000010104 0.000001845 -0.000000043 -0.000008629 0.000000330 -0.000003487 -0.000003860 -0.000004152 -0.000003472 -0.000006081 -0.000003677 -0.000002256 0.000001049 0.000001119 -0.000006501 -0.000007223 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.6058,-.1389,-.6049;2.1377,-.7393,1.7827;4.2852,.5552,.2095;1.543,-.4184,-1.73;3.5726,-1.4065,-1.4728;-1.0079,-1.6449,.7438;3.1107,.6402,-.5447;-.1589,-.71,1.2728;1.6665,1.6417,1.1903;2.1778,1.6376,-.1159;2.0574,.6266,2.242;.7756,2.6596,1.5403;1.7974,2.612,-1.0385;1.0074,-1.3281,1.3445;-2.3414,-1.292,.4358;.3932,3.637,.6245;.8981,3.6096,-.6745;-.3647,-2.824,.4986;.9461,-2.6653,.8799;-2.6612,.0459,.1853;-3.3352,-2.2728,.3765;2.8011,-.4876,-1.2635;-3.969,.4012,-.1276;-4.6411,-1.9216,.0485;-4.9455,-.5872,-.1986;5.3314,1.3298,-.4096;1.117,-1.5127,-2.5718;3.0634,.8304,2.6093;1.3579,.6811,3.0798;.3578,2.6693,2.5415;2.2107,2.5727,-2.0394;-.3059,4.4105,.9227;.6022,4.3619,-1.3967;-.8713,-3.664,.0515;1.7518,-3.3774,.8134;-1.8879,.8012,.2289;-3.1048,-3.3071,.5993;-4.2176,1.4367,-.3237;-5.4122,-2.6803,.0035;5.5619,.9359,-1.4028;5.0464,2.3841,-.4719;6.1939,1.2161,.2486;1.6889,-1.5187,-3.5017;.0656,-1.319,-2.7752;1.2335,-2.4631,-2.0521; Gaussian 16 12-May-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C19H18ClN3O4)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) 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 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.6058,-.1389,-.6049;2.1377,-.7393,1.7827;4.2852,.5552,.2095;1.543,-.4184,-1.73;3.5726,-1.4065,-1.4728;-1.0079,-1.6449,.7438;3.1107,.6402,-.5447;-.1589,-.71,1.2728;1.6665,1.6417,1.1903;2.1778,1.6376,-.1159;2.0574,.6266,2.242;.7756,2.6596,1.5403;1.7974,2.612,-1.0385;1.0074,-1.3281,1.3445;-2.3414,-1.292,.4358;.3932,3.637,.6245;.8981,3.6096,-.6745;-.3647,-2.824,.4986;.9461,-2.6653,.8799;-2.6612,.0459,.1853;-3.3352,-2.2728,.3765;2.8011,-.4876,-1.2635;-3.969,.4012,-.1276;-4.6411,-1.9216,.0485;-4.9455,-.5872,-.1986;5.3314,1.3298,-.4096;1.117,-1.5127,-2.5718;3.0634,.8304,2.6093;1.3579,.6811,3.0798;.3578,2.6693,2.5415;2.2107,2.5727,-2.0394;-.3059,4.4105,.9227;.6022,4.3619,-1.3967;-.8713,-3.664,.0515;1.7518,-3.3774,.8134;-1.8879,.8012,.2289;-3.1048,-3.3071,.5993;-4.2176,1.4367,-.3237;-5.4122,-2.6803,.0035;5.5619,.9359,-1.4028;5.0464,2.3841,-.4719;6.1939,1.2161,.2486;1.6889,-1.5187,-3.5017;.0656,-1.319,-2.7752;1.2335,-2.4631,-2.0521; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyraclostrobin/octa #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction pyraclostrobin CONF62 octanol 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 42 43 44 45 35 16 16 16 16 14 14 14 12 12 12 12 12 12 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 34.9688527 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 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 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 3 0 0 0 0 2 2 2 0 0 0 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 737 A 710 A 710 1133 737 101 101 2673.4848573807 45 45 45 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 -0.0532435709 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 9.083483 0.000000 10.943428 2.960123 0.000000 8.230826 3.577093 3.497067 0.000000 10.293708 3.619712 2.680719 2.271986 0.000000 5.951703 3.434333 5.757044 3.759156 5.094308 0.000000 9.747856 2.875121 1.398394 2.232328 2.294242 4.883151 0.000000 6.738945 2.352775 4.741508 3.463845 4.684861 1.369158 3.977045 0.000000 8.650074 2.498391 2.999957 3.575912 4.473974 4.260717 2.469571 2.978196 0.000000 8.974728 3.042341 2.391379 2.689867 3.612919 4.654326 1.431458 3.591665 1.402677 0.000000 9.151049 1.443287 3.016505 4.139293 4.497702 4.098884 2.979182 2.763748 1.513082 2.568378 0.000000 8.180345 3.669708 4.303145 4.556139 5.782372 4.726994 3.725376 3.507071 1.397340 2.398729 2.503736 0.000000 8.852605 4.393875 3.460811 3.118733 4.414591 5.400734 2.420099 4.495019 2.434346 1.394761 3.843360 2.774295 0.000000 7.948226 1.347734 3.947056 3.250670 3.811018 2.126667 3.444866 1.321907 3.045938 3.506835 2.393523 3.999245 4.671959 0.000000 4.538436 4.709810 6.882981 4.532339 6.215435 1.413355 5.866864 2.408821 5.023859 5.413851 5.127697 5.152770 5.877438 3.470080 0.000000 8.047034 4.851473 4.981686 4.828264 6.320147 5.465924 4.211038 4.429680 2.433685 2.780385 3.801147 1.392950 2.405772 5.054496 5.639947 0.000000 8.388388 5.146573 4.645748 4.213683 5.740353 5.766702 3.705396 4.854756 2.817885 2.416270 4.329945 2.413074 1.391525 5.335652 5.979393 1.393904 0.000000 6.883216 3.500981 5.755365 3.793772 4.625836 1.365329 5.016701 2.260629 4.954422 5.171794 4.562083 5.696967 6.048758 2.199039 2.501675 6.506529 6.660502 0.000000 8.100467 2.438155 4.687358 3.495228 3.744196 2.208583 4.200184 2.280006 4.377838 4.585175 3.731898 5.368438 5.679383 1.416942 3.590358 6.331687 6.464775 1.374270 0.000000 4.027193 5.118371 6.965088 4.643178 6.612067 2.429819 5.848152 2.831125 4.720750 5.102918 5.180018 4.525379 5.287861 4.085335 1.398201 4.734808 5.109615 3.688956 4.565677 0.000000 4.026578 5.855094 8.129990 5.627896 7.203414 2.438316 7.133317 3.651613 6.403345 6.776942 6.400565 6.525502 7.225482 4.548365 1.397568 6.992066 7.323193 3.023703 4.328599 2.422267 0.000000 9.436356 3.127749 2.336629 1.343587 1.217986 4.458437 1.372714 3.904374 3.441216 2.494356 3.752781 4.676450 3.265815 3.275007 5.475400 5.135624 4.555787 4.311175 3.574664 5.676295 6.597832 0.000000 2.733561 6.499331 8.262481 5.798378 7.871037 3.703176 7.095971 4.208561 5.918951 6.269854 6.479423 5.512980 6.242445 5.470038 2.415201 5.483119 5.855057 4.876967 5.880130 1.390820 2.793954 6.921998 0.000000 2.732182 7.096328 9.264971 6.607988 8.369306 3.709436 8.185666 4.801724 7.333941 7.693630 7.495009 7.249396 7.949168 5.825570 2.415575 7.521598 7.861318 4.393713 5.697436 2.794610 1.391516 7.691828 2.424501 0.000000 1.767075 7.356663 9.310055 6.668857 8.651769 4.184643 8.156479 5.009095 7.114433 7.463039 7.514689 6.804122 7.510399 6.194086 2.771361 6.857316 7.210212 5.145218 6.339731 2.401276 2.401091 7.820058 1.391220 1.390849 0.000000 12.028816 4.391680 1.441457 4.376314 3.422130 7.096964 2.329267 6.093887 4.011034 3.182234 4.271387 5.130938 3.811734 5.370153 8.152354 5.547853 4.992198 7.108058 6.070851 8.116921 9.418481 3.230264 9.350895 10.499190 10.456296 0.000000 8.086848 4.538848 4.695668 1.444789 2.692437 3.940275 3.566314 4.129477 4.940103 4.132862 5.351021 5.868045 4.452747 3.922123 4.588490 6.104022 5.466764 3.652681 3.643072 4.930027 5.393737 2.366125 5.958517 6.339436 6.575842 5.524148 0.000000 10.235406 2.001007 2.706977 4.764559 4.682598 5.116934 3.160134 3.813494 2.150188 2.977087 1.090155 3.118188 4.252514 3.238207 6.200065 4.352805 4.816238 5.437021 4.437758 6.265960 7.453691 4.099373 7.558360 8.572671 8.604427 3.808849 6.010168 0.000000 8.813043 2.075567 4.101629 4.937339 5.476221 4.057633 4.026284 2.738874 2.142053 3.435078 1.092750 2.573676 4.569695 2.677850 4.956719 3.961947 4.783568 4.681378 4.025821 4.993485 6.169178 4.723656 6.224244 7.207720 7.217305 5.327794 6.067176 1.775453 0.000000 8.141114 3.919445 5.033060 5.402268 6.562138 4.869229 4.606564 3.646444 2.143493 3.382106 2.674088 1.084904 3.859046 4.222995 5.235643 2.147785 3.393968 5.905208 5.618240 4.642037 6.538370 5.514857 5.566815 7.230559 6.799862 5.936328 6.649119 3.272028 2.289726 0.000000 9.334965 5.058003 3.664914 3.080362 4.243832 5.991225 2.603654 5.230925 3.404990 2.139038 4.705525 3.857714 1.083643 5.302397 6.464093 3.395943 2.158962 6.496080 6.128560 5.921979 7.750727 3.211856 6.823431 8.456114 8.036446 3.733674 4.262649 5.037273 5.523795 4.942457 0.000000 7.919575 5.764618 6.037335 5.811493 7.390422 6.098603 5.295417 5.134588 3.410011 3.864722 4.652262 2.148604 3.391799 5.902019 6.074464 1.084383 2.154515 7.247147 7.185828 5.014093 7.358141 6.198682 5.531353 7.723617 6.910870 6.560847 7.022793 5.197491 4.618434 2.468409 4.299382 0.000000 8.534584 6.203927 5.534938 4.883444 6.488768 6.576962 4.568382 5.781883 3.901912 3.397777 5.413941 3.399122 2.149182 6.328870 6.632453 2.157371 1.084042 7.494299 7.394824 5.637410 7.916276 5.326408 6.180075 8.310432 7.530285 5.703883 6.013057 5.880298 5.844566 4.293544 2.490333 2.491265 0.000000 6.763232 4.539310 6.664574 4.419980 5.212338 2.138859 5.893874 3.274896 5.990623 6.118151 5.637836 6.702031 6.906400 3.264635 2.816958 7.431841 7.520875 1.078066 2.233058 4.121284 2.848143 5.030461 5.114043 4.152993 5.111594 7.976497 3.932277 6.497993 5.746292 6.915315 7.264132 8.141027 8.287577 0.000000 9.074594 2.836883 4.716788 3.907396 3.525120 3.259203 4.453268 3.313094 5.033883 5.118086 4.262167 6.158462 6.269312 2.244046 4.609305 7.147235 7.194473 2.210162 1.077347 5.620296 5.223854 3.710192 6.920266 6.601031 7.325503 6.038760 3.916533 4.759269 4.665033 6.441375 6.614593 8.055840 8.130359 2.746524 0.000000 4.882340 4.581820 6.178037 4.134685 6.130829 2.650083 5.060675 2.522468 3.776848 4.165109 4.432702 3.502549 4.297274 3.763125 2.151726 3.660862 4.057748 3.941438 4.524583 1.081823 3.400901 5.086735 2.148912 3.876375 3.385118 7.266769 4.714534 5.493895 4.321771 3.725798 5.008215 4.001424 4.639156 4.582893 5.572202 0.000000 4.872780 5.956344 8.347549 5.947424 7.245285 2.679637 7.451309 3.984496 6.899618 7.270952 6.694831 7.179434 7.858071 4.624037 2.161016 7.775411 8.092376 2.784203 4.110973 3.407420 1.082749 6.804368 3.876375 2.140815 3.379737 9.679279 5.576642 7.694498 6.478738 7.174869 8.354021 8.215805 8.748662 2.327245 4.861840 4.300675 0.000000 2.874862 7.040023 8.564990 6.213161 8.372087 4.575775 7.374780 4.861056 6.079233 6.401903 6.827533 5.468294 6.170276 6.142253 3.397434 5.196181 5.569162 5.802971 6.703611 2.148434 3.876766 7.338126 1.082815 3.405270 2.154367 9.550029 6.496931 7.872960 6.575831 5.537495 6.749636 5.069431 5.739224 6.111899 7.752530 2.477236 4.959154 0.000000 2.872879 7.995881 10.224981 7.516323 9.193952 4.584471 9.163264 5.752347 8.378290 8.733017 8.470035 8.316551 9.003988 6.696077 3.397625 8.602131 8.935471 5.073752 6.418370 3.877255 2.149173 8.594829 3.405243 1.082675 2.154040 11.475038 7.115116 9.536805 8.160695 8.267578 9.480299 8.786294 9.366200 4.646442 7.243233 4.959037 2.464097 4.299235 0.000000 12.241108 4.967743 2.091503 4.253586 3.073882 7.377764 2.613844 6.526551 4.732460 3.687938 5.065760 5.877276 4.136907 5.780735 8.414638 6.174260 5.424966 7.271625 6.283754 8.422210 9.623971 3.109289 9.630666 10.694531 10.685265 1.093050 5.207617 4.727680 6.150778 6.756095 3.783545 7.204965 6.028017 8.041148 6.167040 7.627599 9.855099 9.851611 11.639793 0.000000 11.922898 4.826846 2.094811 4.659449 4.188311 7.373271 2.606381 6.301778 3.838900 2.985421 4.403152 4.729113 3.305901 5.778634 8.301584 4.942030 4.330226 7.572653 6.643497 8.081168 9.625868 3.730168 9.237225 10.613978 10.427829 1.093914 5.918959 3.979950 5.396212 5.580700 3.245581 5.890447 4.951575 8.477720 6.760174 7.147065 9.998892 9.313464 11.629899 1.797126 0.000000 12.899478 4.757069 2.020257 5.312019 4.088052 7.765141 3.235297 6.716977 4.643831 4.054615 4.629473 5.754193 4.789017 5.879975 8.898161 6.296840 5.884402 7.707146 6.557747 8.932315 10.148567 4.086578 10.202426 11.281970 11.293259 1.090843 6.416827 3.939819 5.629285 6.436542 4.789708 7.273607 6.623490 8.589041 6.414927 8.092482 10.346413 10.429566 12.245129 1.790236 1.788857 0.000000 8.893656 5.360328 4.981417 2.090590 2.770794 5.031201 3.927540 5.183010 5.657048 4.654463 6.142302 6.611646 4.810547 4.897549 5.638973 6.729389 5.909097 4.682246 4.589675 5.913114 6.391487 2.703579 6.861629 7.268765 7.469450 5.562603 1.091724 6.689652 6.947224 7.471995 4.376042 7.662161 6.339803 4.876680 4.698772 5.664987 6.557137 7.329396 8.003785 5.042826 5.973546 6.468243 0.000000 7.114086 5.040217 5.497838 2.021417 3.742083 3.693493 4.252772 4.099642 5.201271 4.502708 5.738035 5.912466 4.633374 4.225945 4.013025 6.018903 5.421948 3.628741 3.993435 4.250032 4.733767 3.234092 5.123152 5.521694 5.681984 6.351479 1.088257 6.526837 6.320690 6.652764 4.504281 6.829313 5.870376 3.790331 4.467417 4.163613 5.038928 5.652359 6.291240 6.097335 6.620122 7.288767 1.789635 0.000000 8.303658 4.300526 4.851572 2.092849 2.631244 3.675674 3.927604 4.008335 5.248725 4.632025 5.353906 6.273525 5.205929 3.588328 4.510077 6.714238 6.235999 3.031614 2.953034 5.144856 5.177625 2.642295 6.242882 6.262326 6.718198 5.820350 1.089415 5.993672 6.019746 6.943275 5.129736 7.646220 6.885386 3.208981 3.052152 5.059775 5.153961 6.921687 6.959711 5.541602 6.366273 6.590513 1.788998 1.787642 0.000000 C19H18ClN3O4 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 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.5092,1.0736,.6873;-1.9758,-.9932,-1.8114;-4.3241,-.2002,-.1933;-1.4492,-.7557,1.7187;-3.2628,-2.0844,1.3909;1.283,-1.3602,-.7914;-3.185,.0587,.5755;.2766,-.5702,-1.2789;-1.9499,1.3989,-1.0909;-2.4514,1.2317,.2083;-2.1479,.3866,-2.198;-1.2613,2.5802,-1.3788;-2.2563,2.209,1.1842;-.7564,-1.387,-1.3939;2.529,-.7854,-.4527;-1.0648,3.5611,-.4095;-1.5557,3.3725,.8813;.8674,-2.6486,-.6143;-.4503,-2.7131,-.9993;2.5976,.5732,-.1296;3.6861,-1.569,-.4353;-2.6733,-1.0297,1.2373;3.8179,1.1453,.2138;4.9053,-1.002,-.077;4.9594,.3506,.2424;-5.4947,.3353,.4555;-.8292,-1.7964,2.5062;-3.1743,.4216,-2.5637;-1.4705,.613,-3.0251;-.8527,2.7195,-2.3741;-2.6551,2.0414,2.1777;-.5198,4.4644,-.6603;-1.4028,4.1269,1.6447;1.5199,-3.4039,-.2069;-1.1114,-3.5634,-.9777;1.6987,1.175,-.141;3.6496,-2.6146,-.714;3.8721,2.1969,.4662;5.8027,-1.6077,-.0643;-5.6486,-.1464,1.4245;-5.4082,1.4191,.5755;-6.3218,.1004,-.2159;-1.3901,-1.9566,3.429;.1688,-1.4242,2.7294;-.7693,-2.723,1.9365; 0.3226004 0.1060534 0.0950236 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= 710 RedAO= T EigKep= 2.00D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 9.69D-07 NBFU= 706 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= 723 723 723 723 723 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1660.54973583309 -1660.54973583330 -0.000000000206 -1660.54973583 2 1.654585340250e+03 -9.242242229452e+03 3.253672749867e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773767501 LenY= 3773223595 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. PT2142.300S 2022-05-12T13:08:50.000 -101.55902 -19.17953 -19.17266 -19.16395 -19.11141 -14.40171 -14.39856 -14.33084 -10.33335 -10.25653 -10.24167 -10.23482 -10.23301 -10.22538 -10.21880 -10.21494 -10.21317 -10.19684 -10.19357 -10.19264 -10.19180 -10.18846 -10.18393 -10.18177 -10.18118 -10.18078 -10.17028 -9.47356 -7.23801 -7.22848 -7.22816 -1.13425 -1.09493 -1.08979 -1.05189 -1.02613 -0.91050 -0.90335 -0.87043 -0.85869 -0.82450 -0.79969 -0.78358 -0.76828 -0.76028 -0.73537 -0.72971 -0.70264 -0.67949 -0.64532 -0.64370 -0.62815 -0.61329 -0.59989 -0.58505 -0.56922 -0.55800 -0.55287 -0.53380 -0.52018 -0.50920 -0.49683 -0.49293 -0.48778 -0.47903 -0.47673 -0.46985 -0.46273 -0.45786 -0.45516 -0.45033 -0.44705 -0.43987 -0.43760 -0.43243 -0.43098 -0.41366 -0.40728 -0.40504 -0.39263 -0.38989 -0.38465 -0.37732 -0.37071 -0.36898 -0.36324 -0.35601 -0.34979 -0.33628 -0.32326 -0.31647 -0.31178 -0.30571 -0.30093 -0.28213 -0.27533 -0.27405 -0.26338 -0.25880 -0.24910 -0.22107 -0.04061 -0.03519 -0.03100 -0.02301 0.00115 0.00726 0.01124 0.01331 0.01518 0.01923 0.02363 0.02970 0.03080 0.03547 0.03632 0.03834 0.04009 0.04902 0.05022 0.05456 0.05537 0.05890 0.05975 0.06393 0.06788 0.06932 0.07332 0.07667 0.07797 0.08108 0.08973 0.09452 0.09582 0.09852 0.10055 0.10339 0.10707 0.10805 0.11206 0.11351 0.11774 0.12090 0.12227 0.12567 0.12677 0.13446 0.13540 0.13871 0.13922 0.14288 0.14681 0.14781 0.15090 0.15203 0.15640 0.15817 0.16054 0.16284 0.16846 0.16880 0.17274 0.17475 0.17796 0.17863 0.18152 0.18336 0.18817 0.19051 0.19134 0.19283 0.19450 0.19886 0.19901 0.20308 0.20368 0.20554 0.21147 0.21239 0.21745 0.21767 0.21880 0.22355 0.22429 0.22708 0.22808 0.22976 0.23114 0.23311 0.23858 0.23915 0.24325 0.24429 0.24773 0.25023 0.25391 0.25793 0.25992 0.26461 0.26652 0.26865 0.27259 0.27587 0.27633 0.27950 0.28073 0.28398 0.29051 0.29363 0.29443 0.29862 0.30126 0.30315 0.30913 0.31250 0.31431 0.31686 0.31956 0.32411 0.32504 0.32907 0.33169 0.33458 0.33822 0.34142 0.34465 0.35037 0.35082 0.35512 0.35715 0.36048 0.36797 0.37295 0.37505 0.37979 0.38230 0.38636 0.39146 0.39270 0.39880 0.40043 0.40602 0.41225 0.41865 0.42881 0.43096 0.43564 0.44090 0.45223 0.45816 0.45961 0.46028 0.46682 0.46803 0.47765 0.49111 0.49321 0.49615 0.50452 0.50661 0.51311 0.51705 0.52205 0.53240 0.53377 0.54244 0.54449 0.54765 0.54931 0.55512 0.56613 0.56629 0.57415 0.57878 0.58316 0.58701 0.59601 0.59698 0.59962 0.60704 0.61530 0.62132 0.62297 0.63238 0.63572 0.63981 0.64435 0.65104 0.65555 0.66018 0.66472 0.67207 0.67957 0.68538 0.68660 0.69469 0.69562 0.70112 0.70229 0.70775 0.70881 0.71580 0.72275 0.72663 0.72863 0.73106 0.73247 0.73793 0.74462 0.75163 0.75321 0.75635 0.76640 0.76933 0.77512 0.78044 0.78341 0.78522 0.79333 0.79553 0.80649 0.81504 0.82200 0.82679 0.83347 0.83993 0.84872 0.84920 0.85470 0.85883 0.86215 0.86344 0.86557 0.87335 0.88455 0.88825 0.89509 0.89973 0.90604 0.91238 0.91474 0.92378 0.93012 0.93284 0.94331 0.94657 0.94979 0.95996 0.96095 0.96963 0.97677 0.99345 0.99439 1.00649 1.01112 1.01768 1.02025 1.02820 1.03828 1.04762 1.05652 1.06019 1.06678 1.07098 1.08133 1.08769 1.09108 1.09536 1.09731 1.10529 1.11432 1.11727 1.12491 1.13878 1.14084 1.14192 1.15583 1.15919 1.16646 1.18175 1.19322 1.19708 1.20115 1.21232 1.22109 1.22537 1.23772 1.24889 1.26644 1.27117 1.28780 1.29708 1.30077 1.31302 1.31868 1.32432 1.34026 1.35125 1.36027 1.37066 1.38410 1.39159 1.40309 1.42544 1.42969 1.44503 1.45177 1.45646 1.45712 1.47423 1.47674 1.49148 1.49541 1.51171 1.51937 1.52429 1.52959 1.53398 1.53920 1.54887 1.55314 1.57276 1.57415 1.57547 1.57977 1.58519 1.59062 1.59270 1.60048 1.60436 1.60920 1.61565 1.62207 1.63076 1.64206 1.64711 1.65785 1.66453 1.67103 1.68676 1.69521 1.69759 1.70551 1.71317 1.72275 1.72927 1.73922 1.74934 1.75272 1.76351 1.76695 1.77123 1.77770 1.78343 1.78559 1.79934 1.80624 1.80838 1.81999 1.82241 1.83389 1.84945 1.85509 1.86317 1.86519 1.88378 1.89515 1.90191 1.91032 1.91592 1.91804 1.92222 1.92457 1.93478 1.94411 1.94973 1.95154 1.95565 1.96282 1.97137 1.98357 1.98500 1.99507 2.00780 2.00945 2.02284 2.02573 2.02778 2.05557 2.05655 2.06310 2.07126 2.07728 2.08633 2.09518 2.10920 2.11513 2.12292 2.13780 2.14572 2.16228 2.16825 2.17912 2.19620 2.20802 2.21156 2.23389 2.24686 2.25493 2.26756 2.27474 2.28629 2.29056 2.30379 2.32402 2.36373 2.38645 2.39560 2.40083 2.41433 2.42104 2.43084 2.44220 2.44818 2.45956 2.47635 2.47942 2.49071 2.51254 2.52102 2.52730 2.53111 2.53795 2.54730 2.55728 2.56789 2.57281 2.59115 2.60052 2.60209 2.62197 2.63277 2.63785 2.65401 2.65828 2.66997 2.67672 2.68178 2.68326 2.70233 2.70574 2.71750 2.72419 2.72894 2.73788 2.75527 2.76218 2.76789 2.76989 2.77913 2.78530 2.78749 2.79930 2.80109 2.80229 2.81829 2.82945 2.83351 2.83745 2.84740 2.84868 2.85593 2.87191 2.88263 2.88832 2.89559 2.90240 2.91202 2.91734 2.92353 2.93220 2.93919 2.94150 2.95005 2.95684 2.98829 2.99742 3.02534 3.03687 3.04748 3.05596 3.07451 3.07614 3.08122 3.09774 3.12344 3.13161 3.13988 3.16461 3.17847 3.19079 3.19636 3.20990 3.22309 3.22533 3.23586 3.25579 3.29963 3.33046 3.34241 3.35664 3.36842 3.38769 3.39220 3.40471 3.42125 3.44579 3.45074 3.48101 3.51048 3.53724 3.54998 3.56926 3.57062 3.59978 3.61905 3.62690 3.72145 3.74176 3.76817 3.80204 3.80743 3.81292 3.82195 3.86144 3.89604 3.89911 3.92326 3.95411 3.98188 3.99636 4.03927 4.04851 4.05590 4.07628 4.09126 4.12700 4.12795 4.14101 4.16271 4.17067 4.18960 4.19296 4.23545 4.31099 4.36167 4.56621 4.67284 4.84065 4.85327 4.93163 5.12793 5.13820 5.15002 5.16543 5.19186 5.24469 5.38403 5.42222 5.47495 5.48879 5.63939 5.82045 5.86332 5.89616 9.77252 23.56695 23.64975 23.80981 23.87337 23.88481 23.91613 23.92744 23.95272 23.96202 23.96380 23.98341 23.98999 24.03495 24.07947 24.09395 24.09438 24.17157 24.18910 24.19366 25.82721 26.11835 26.57388 35.55554 35.56510 35.64446 49.92917 49.94493 49.99238 50.04995 215.76319 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 42 43 44 45 Cl O O O O N N N C C C C C C 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 0.341024 -0.040148 0.089793 -0.039635 -0.332314 0.246332 -0.134423 -0.030691 0.242089 -0.935239 -0.497785 0.060037 0.365861 -0.123984 -0.292332 -0.349305 -0.172353 0.051619 -0.520972 -0.323935 -0.126165 0.215285 -0.384868 -0.636834 0.608275 -0.234510 -0.266600 0.211660 0.178341 0.151339 0.167003 0.161417 0.163034 0.179274 0.169763 0.210343 0.163275 0.179525 0.183299 0.184263 0.176344 0.189706 0.183347 0.188362 0.181484 -0.00000 0.9573 2.2001 1.0234 2.6085 -173.5879 -148.6867 -158.3559 -28.4335 -1.1064 -0.4368 -13.3777 11.5234 1.8543 -28.4335 -1.1064 -0.4368 -180.1714 -2.4975 21.2798 54.3738 4.1804 -11.7449 -35.1740 12.4203 4.3545 -12.1322 -10738.7165 -2756.5898 -1397.2764 -489.2181 -93.1244 -40.3386 41.5630 7.1463 -65.0750 -2339.8311 -2072.4557 -735.6556 79.4543 11.2385 -24.1421 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS22 APULGAR 2022-05-12T00:00:00.000 0 Wavefunction pyraclostrobin CONF62 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1660.5497358 RMSD=3.877e-09 Dipole=-0.5328607,0.8014831,-0.3561859 Quadrupole=-16.9640953,15.5306144,1.4334809,16.3910797,0.1632356,0.752335 PG=C01 [X(C19H18Cl1N3O4)] 0 -6.6057844516 -0.1389235752 -0.6048526019 0 2.1377229129 -0.7392758341 1.7826820557 0 4.2852011196 0.5552440293 0.2095064223 0 1.5429839124 -0.4184266228 -1.730000038 0 3.5726429506 -1.4064813776 -1.4727988991 0 -1.0079412196 -1.644919251 0.7438128866 0 3.1107010848 0.6401752341 -0.5447090997 0 -0.1589447051 -0.7100369447 1.2727693683 0 1.6665095064 1.6416773161 1.1902503725 0 2.1777616861 1.6375939181 -0.1159302088 0 2.0574093965 0.6266037445 2.2420302573 0 0.7755668058 2.6596284501 1.5403288331 0 1.7973614419 2.6120227837 -1.0385041809 0 1.0073783168 -1.3280862982 1.3444920083 0 -2.341404311 -1.292008798 0.4357522614 0 0.3932011361 3.6370194473 0.6244617638 0 0.8981217027 3.6096215246 -0.6744889645 0 -0.3646789215 -2.8239947936 0.4986250222 0 0.9460579407 -2.6653082626 0.8799462187 0 -2.6611955132 0.0458904148 0.1853039712 0 -3.3352177891 -2.2728375283 0.3765421827 0 2.8010970567 -0.4875622371 -1.2635264398 0 -3.9689648576 0.4011919057 -0.127553366 0 -4.6411030814 -1.9216186697 0.048480517 0 -4.9454769473 -0.5871723551 -0.1986412385 0 5.3314331862 1.3297933998 -0.4095809975 0 1.116987355 -1.5126836365 -2.5717505791 0 3.0633906217 0.8303742287 2.6093410783 0 1.3579254839 0.6810690854 3.0797999754 0 0.3578346965 2.6692697116 2.5415402421 0 2.2107021169 2.5727315811 -2.0394471298 0 -0.3058579507 4.4104954088 0.9226860447 0 0.6021581613 4.3619275018 -1.3966999898 0 -0.871299149 -3.6640074564 0.0514773792 0 1.7518101235 -3.3773552456 0.8133983393 0 -1.8879082851 0.8011853205 0.2288635449 0 -3.1048048006 -3.3070672303 0.5993055044 0 -4.2176122768 1.4366511804 -0.3237323884 0 -5.4121657361 -2.6803153823 0.0034536476 0 5.5619115082 0.9358801088 -1.402793311 0 5.0463534305 2.3840693189 -0.471874468 0 6.193904798 1.2161233078 0.2485678959 0 1.6889109323 -1.5186516931 -3.5016590743 0 0.0655960948 -1.3190274809 -2.7751650156 0 1.233516276 -2.4630543013 -2.0520959249 Gaussian 16 12-May-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C19H18ClN3O4)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) 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 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.6058,-.1389,-.6049;2.1377,-.7393,1.7827;4.2852,.5552,.2095;1.543,-.4184,-1.73;3.5726,-1.4065,-1.4728;-1.0079,-1.6449,.7438;3.1107,.6402,-.5447;-.1589,-.71,1.2728;1.6665,1.6417,1.1903;2.1778,1.6376,-.1159;2.0574,.6266,2.242;.7756,2.6596,1.5403;1.7974,2.612,-1.0385;1.0074,-1.3281,1.3445;-2.3414,-1.292,.4358;.3932,3.637,.6245;.8981,3.6096,-.6745;-.3647,-2.824,.4986;.9461,-2.6653,.8799;-2.6612,.0459,.1853;-3.3352,-2.2728,.3765;2.8011,-.4876,-1.2635;-3.969,.4012,-.1276;-4.6411,-1.9216,.0485;-4.9455,-.5872,-.1986;5.3314,1.3298,-.4096;1.117,-1.5127,-2.5718;3.0634,.8304,2.6093;1.3579,.6811,3.0798;.3578,2.6693,2.5415;2.2107,2.5727,-2.0394;-.3059,4.4105,.9227;.6022,4.3619,-1.3967;-.8713,-3.664,.0515;1.7518,-3.3774,.8134;-1.8879,.8012,.2289;-3.1048,-3.3071,.5993;-4.2176,1.4367,-.3237;-5.4122,-2.6803,.0035;5.5619,.9359,-1.4028;5.0464,2.3841,-.4719;6.1939,1.2161,.2486;1.6889,-1.5187,-3.5017;.0656,-1.319,-2.7752;1.2335,-2.4631,-2.0521; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyraclostrobin/octa #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=25/2 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 pyraclostrobin CONF62 octanol 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 42 43 44 45 35 16 16 16 16 14 14 14 12 12 12 12 12 12 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 34.9688527 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 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 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 3 0 0 0 0 2 2 2 0 0 0 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 737 A 710 A 710 1133 737 101 101 2673.4848573807 45 45 45 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 -0.0532435709 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 9.083483 0.000000 10.943428 2.960123 0.000000 8.230826 3.577093 3.497067 0.000000 10.293708 3.619712 2.680719 2.271986 0.000000 5.951703 3.434333 5.757044 3.759156 5.094308 0.000000 9.747856 2.875121 1.398394 2.232328 2.294242 4.883151 0.000000 6.738945 2.352775 4.741508 3.463845 4.684861 1.369158 3.977045 0.000000 8.650074 2.498391 2.999957 3.575912 4.473974 4.260717 2.469571 2.978196 0.000000 8.974728 3.042341 2.391379 2.689867 3.612919 4.654326 1.431458 3.591665 1.402677 0.000000 9.151049 1.443287 3.016505 4.139293 4.497702 4.098884 2.979182 2.763748 1.513082 2.568378 0.000000 8.180345 3.669708 4.303145 4.556139 5.782372 4.726994 3.725376 3.507071 1.397340 2.398729 2.503736 0.000000 8.852605 4.393875 3.460811 3.118733 4.414591 5.400734 2.420099 4.495019 2.434346 1.394761 3.843360 2.774295 0.000000 7.948226 1.347734 3.947056 3.250670 3.811018 2.126667 3.444866 1.321907 3.045938 3.506835 2.393523 3.999245 4.671959 0.000000 4.538436 4.709810 6.882981 4.532339 6.215435 1.413355 5.866864 2.408821 5.023859 5.413851 5.127697 5.152770 5.877438 3.470080 0.000000 8.047034 4.851473 4.981686 4.828264 6.320147 5.465924 4.211038 4.429680 2.433685 2.780385 3.801147 1.392950 2.405772 5.054496 5.639947 0.000000 8.388388 5.146573 4.645748 4.213683 5.740353 5.766702 3.705396 4.854756 2.817885 2.416270 4.329945 2.413074 1.391525 5.335652 5.979393 1.393904 0.000000 6.883216 3.500981 5.755365 3.793772 4.625836 1.365329 5.016701 2.260629 4.954422 5.171794 4.562083 5.696967 6.048758 2.199039 2.501675 6.506529 6.660502 0.000000 8.100467 2.438155 4.687358 3.495228 3.744196 2.208583 4.200184 2.280006 4.377838 4.585175 3.731898 5.368438 5.679383 1.416942 3.590358 6.331687 6.464775 1.374270 0.000000 4.027193 5.118371 6.965088 4.643178 6.612067 2.429819 5.848152 2.831125 4.720750 5.102918 5.180018 4.525379 5.287861 4.085335 1.398201 4.734808 5.109615 3.688956 4.565677 0.000000 4.026578 5.855094 8.129990 5.627896 7.203414 2.438316 7.133317 3.651613 6.403345 6.776942 6.400565 6.525502 7.225482 4.548365 1.397568 6.992066 7.323193 3.023703 4.328599 2.422267 0.000000 9.436356 3.127749 2.336629 1.343587 1.217986 4.458437 1.372714 3.904374 3.441216 2.494356 3.752781 4.676450 3.265815 3.275007 5.475400 5.135624 4.555787 4.311175 3.574664 5.676295 6.597832 0.000000 2.733561 6.499331 8.262481 5.798378 7.871037 3.703176 7.095971 4.208561 5.918951 6.269854 6.479423 5.512980 6.242445 5.470038 2.415201 5.483119 5.855057 4.876967 5.880130 1.390820 2.793954 6.921998 0.000000 2.732182 7.096328 9.264971 6.607988 8.369306 3.709436 8.185666 4.801724 7.333941 7.693630 7.495009 7.249396 7.949168 5.825570 2.415575 7.521598 7.861318 4.393713 5.697436 2.794610 1.391516 7.691828 2.424501 0.000000 1.767075 7.356663 9.310055 6.668857 8.651769 4.184643 8.156479 5.009095 7.114433 7.463039 7.514689 6.804122 7.510399 6.194086 2.771361 6.857316 7.210212 5.145218 6.339731 2.401276 2.401091 7.820058 1.391220 1.390849 0.000000 12.028816 4.391680 1.441457 4.376314 3.422130 7.096964 2.329267 6.093887 4.011034 3.182234 4.271387 5.130938 3.811734 5.370153 8.152354 5.547853 4.992198 7.108058 6.070851 8.116921 9.418481 3.230264 9.350895 10.499190 10.456296 0.000000 8.086848 4.538848 4.695668 1.444789 2.692437 3.940275 3.566314 4.129477 4.940103 4.132862 5.351021 5.868045 4.452747 3.922123 4.588490 6.104022 5.466764 3.652681 3.643072 4.930027 5.393737 2.366125 5.958517 6.339436 6.575842 5.524148 0.000000 10.235406 2.001007 2.706977 4.764559 4.682598 5.116934 3.160134 3.813494 2.150188 2.977087 1.090155 3.118188 4.252514 3.238207 6.200065 4.352805 4.816238 5.437021 4.437758 6.265960 7.453691 4.099373 7.558360 8.572671 8.604427 3.808849 6.010168 0.000000 8.813043 2.075567 4.101629 4.937339 5.476221 4.057633 4.026284 2.738874 2.142053 3.435078 1.092750 2.573676 4.569695 2.677850 4.956719 3.961947 4.783568 4.681378 4.025821 4.993485 6.169178 4.723656 6.224244 7.207720 7.217305 5.327794 6.067176 1.775453 0.000000 8.141114 3.919445 5.033060 5.402268 6.562138 4.869229 4.606564 3.646444 2.143493 3.382106 2.674088 1.084904 3.859046 4.222995 5.235643 2.147785 3.393968 5.905208 5.618240 4.642037 6.538370 5.514857 5.566815 7.230559 6.799862 5.936328 6.649119 3.272028 2.289726 0.000000 9.334965 5.058003 3.664914 3.080362 4.243832 5.991225 2.603654 5.230925 3.404990 2.139038 4.705525 3.857714 1.083643 5.302397 6.464093 3.395943 2.158962 6.496080 6.128560 5.921979 7.750727 3.211856 6.823431 8.456114 8.036446 3.733674 4.262649 5.037273 5.523795 4.942457 0.000000 7.919575 5.764618 6.037335 5.811493 7.390422 6.098603 5.295417 5.134588 3.410011 3.864722 4.652262 2.148604 3.391799 5.902019 6.074464 1.084383 2.154515 7.247147 7.185828 5.014093 7.358141 6.198682 5.531353 7.723617 6.910870 6.560847 7.022793 5.197491 4.618434 2.468409 4.299382 0.000000 8.534584 6.203927 5.534938 4.883444 6.488768 6.576962 4.568382 5.781883 3.901912 3.397777 5.413941 3.399122 2.149182 6.328870 6.632453 2.157371 1.084042 7.494299 7.394824 5.637410 7.916276 5.326408 6.180075 8.310432 7.530285 5.703883 6.013057 5.880298 5.844566 4.293544 2.490333 2.491265 0.000000 6.763232 4.539310 6.664574 4.419980 5.212338 2.138859 5.893874 3.274896 5.990623 6.118151 5.637836 6.702031 6.906400 3.264635 2.816958 7.431841 7.520875 1.078066 2.233058 4.121284 2.848143 5.030461 5.114043 4.152993 5.111594 7.976497 3.932277 6.497993 5.746292 6.915315 7.264132 8.141027 8.287577 0.000000 9.074594 2.836883 4.716788 3.907396 3.525120 3.259203 4.453268 3.313094 5.033883 5.118086 4.262167 6.158462 6.269312 2.244046 4.609305 7.147235 7.194473 2.210162 1.077347 5.620296 5.223854 3.710192 6.920266 6.601031 7.325503 6.038760 3.916533 4.759269 4.665033 6.441375 6.614593 8.055840 8.130359 2.746524 0.000000 4.882340 4.581820 6.178037 4.134685 6.130829 2.650083 5.060675 2.522468 3.776848 4.165109 4.432702 3.502549 4.297274 3.763125 2.151726 3.660862 4.057748 3.941438 4.524583 1.081823 3.400901 5.086735 2.148912 3.876375 3.385118 7.266769 4.714534 5.493895 4.321771 3.725798 5.008215 4.001424 4.639156 4.582893 5.572202 0.000000 4.872780 5.956344 8.347549 5.947424 7.245285 2.679637 7.451309 3.984496 6.899618 7.270952 6.694831 7.179434 7.858071 4.624037 2.161016 7.775411 8.092376 2.784203 4.110973 3.407420 1.082749 6.804368 3.876375 2.140815 3.379737 9.679279 5.576642 7.694498 6.478738 7.174869 8.354021 8.215805 8.748662 2.327245 4.861840 4.300675 0.000000 2.874862 7.040023 8.564990 6.213161 8.372087 4.575775 7.374780 4.861056 6.079233 6.401903 6.827533 5.468294 6.170276 6.142253 3.397434 5.196181 5.569162 5.802971 6.703611 2.148434 3.876766 7.338126 1.082815 3.405270 2.154367 9.550029 6.496931 7.872960 6.575831 5.537495 6.749636 5.069431 5.739224 6.111899 7.752530 2.477236 4.959154 0.000000 2.872879 7.995881 10.224981 7.516323 9.193952 4.584471 9.163264 5.752347 8.378290 8.733017 8.470035 8.316551 9.003988 6.696077 3.397625 8.602131 8.935471 5.073752 6.418370 3.877255 2.149173 8.594829 3.405243 1.082675 2.154040 11.475038 7.115116 9.536805 8.160695 8.267578 9.480299 8.786294 9.366200 4.646442 7.243233 4.959037 2.464097 4.299235 0.000000 12.241108 4.967743 2.091503 4.253586 3.073882 7.377764 2.613844 6.526551 4.732460 3.687938 5.065760 5.877276 4.136907 5.780735 8.414638 6.174260 5.424966 7.271625 6.283754 8.422210 9.623971 3.109289 9.630666 10.694531 10.685265 1.093050 5.207617 4.727680 6.150778 6.756095 3.783545 7.204965 6.028017 8.041148 6.167040 7.627599 9.855099 9.851611 11.639793 0.000000 11.922898 4.826846 2.094811 4.659449 4.188311 7.373271 2.606381 6.301778 3.838900 2.985421 4.403152 4.729113 3.305901 5.778634 8.301584 4.942030 4.330226 7.572653 6.643497 8.081168 9.625868 3.730168 9.237225 10.613978 10.427829 1.093914 5.918959 3.979950 5.396212 5.580700 3.245581 5.890447 4.951575 8.477720 6.760174 7.147065 9.998892 9.313464 11.629899 1.797126 0.000000 12.899478 4.757069 2.020257 5.312019 4.088052 7.765141 3.235297 6.716977 4.643831 4.054615 4.629473 5.754193 4.789017 5.879975 8.898161 6.296840 5.884402 7.707146 6.557747 8.932315 10.148567 4.086578 10.202426 11.281970 11.293259 1.090843 6.416827 3.939819 5.629285 6.436542 4.789708 7.273607 6.623490 8.589041 6.414927 8.092482 10.346413 10.429566 12.245129 1.790236 1.788857 0.000000 8.893656 5.360328 4.981417 2.090590 2.770794 5.031201 3.927540 5.183010 5.657048 4.654463 6.142302 6.611646 4.810547 4.897549 5.638973 6.729389 5.909097 4.682246 4.589675 5.913114 6.391487 2.703579 6.861629 7.268765 7.469450 5.562603 1.091724 6.689652 6.947224 7.471995 4.376042 7.662161 6.339803 4.876680 4.698772 5.664987 6.557137 7.329396 8.003785 5.042826 5.973546 6.468243 0.000000 7.114086 5.040217 5.497838 2.021417 3.742083 3.693493 4.252772 4.099642 5.201271 4.502708 5.738035 5.912466 4.633374 4.225945 4.013025 6.018903 5.421948 3.628741 3.993435 4.250032 4.733767 3.234092 5.123152 5.521694 5.681984 6.351479 1.088257 6.526837 6.320690 6.652764 4.504281 6.829313 5.870376 3.790331 4.467417 4.163613 5.038928 5.652359 6.291240 6.097335 6.620122 7.288767 1.789635 0.000000 8.303658 4.300526 4.851572 2.092849 2.631244 3.675674 3.927604 4.008335 5.248725 4.632025 5.353906 6.273525 5.205929 3.588328 4.510077 6.714238 6.235999 3.031614 2.953034 5.144856 5.177625 2.642295 6.242882 6.262326 6.718198 5.820350 1.089415 5.993672 6.019746 6.943275 5.129736 7.646220 6.885386 3.208981 3.052152 5.059775 5.153961 6.921687 6.959711 5.541602 6.366273 6.590513 1.788998 1.787642 0.000000 C19H18ClN3O4 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 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.5092,1.0736,.6873;-1.9758,-.9932,-1.8114;-4.3241,-.2002,-.1933;-1.4492,-.7557,1.7187;-3.2628,-2.0844,1.3909;1.283,-1.3602,-.7914;-3.185,.0587,.5755;.2766,-.5702,-1.2789;-1.9499,1.3989,-1.0909;-2.4514,1.2317,.2083;-2.1479,.3866,-2.198;-1.2613,2.5802,-1.3788;-2.2563,2.209,1.1842;-.7564,-1.387,-1.3939;2.529,-.7854,-.4527;-1.0648,3.5611,-.4095;-1.5557,3.3725,.8813;.8674,-2.6486,-.6143;-.4503,-2.7131,-.9993;2.5976,.5732,-.1296;3.6861,-1.569,-.4353;-2.6733,-1.0297,1.2373;3.8179,1.1453,.2138;4.9053,-1.002,-.077;4.9594,.3506,.2424;-5.4947,.3353,.4555;-.8292,-1.7964,2.5062;-3.1743,.4216,-2.5637;-1.4705,.613,-3.0251;-.8527,2.7195,-2.3741;-2.6551,2.0414,2.1777;-.5198,4.4644,-.6603;-1.4028,4.1269,1.6447;1.5199,-3.4039,-.2069;-1.1114,-3.5634,-.9777;1.6987,1.175,-.141;3.6496,-2.6146,-.714;3.8721,2.1969,.4662;5.8027,-1.6077,-.0643;-5.6486,-.1464,1.4245;-5.4082,1.4191,.5755;-6.3218,.1004,-.2159;-1.3901,-1.9566,3.429;.1688,-1.4242,2.7294;-.7693,-2.723,1.9365; 0.3226004 0.1060534 0.0950236 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= 710 RedAO= T EigKep= 2.00D-06 NBF= 710 NBsUse= 706 1.00D-06 EigRej= 9.69D-07 NBFU= 706 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= 723 723 723 723 723 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1660.54973583309 -1660.54973583323 -0.000000000139 -1660.54973583 2 1.654585340250e+03 -9.242242229452e+03 3.253672749867e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773767501 LenY= 3773223595 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 4.3455 285.31 0.3864 0.000 101 102 0.68364 101 103 0.13485 -1660.39004014 2 Singlet-A 4.4317 279.77 0.0621 0.000 96 102 -0.11732 101 103 0.57052 101 104 -0.38037 3 Singlet-A 4.4971 275.70 0.1073 0.000 96 102 0.12059 101 102 -0.12560 101 103 0.38044 101 104 0.55925 4 Singlet-A 4.8006 258.27 0.0170 0.000 101 105 0.69375 5 Singlet-A 4.9993 248.01 0.0445 0.000 98 103 -0.14836 99 102 0.11608 99 103 0.32834 100 102 0.37879 100 103 0.30547 100 105 0.28035 6 Singlet-A 5.1063 242.81 0.0538 0.000 95 103 0.15823 97 103 0.10475 98 103 0.11780 99 102 -0.15177 99 103 -0.19519 100 102 0.14962 100 103 0.44355 100 104 0.14042 100 105 -0.33978 7 Singlet-A 5.1762 239.53 0.0341 0.000 99 102 -0.18305 99 103 -0.12097 100 102 0.55373 100 103 -0.34102 8 Singlet-A 5.3718 230.80 0.0106 0.000 96 102 0.15417 98 102 0.10572 98 104 0.13175 99 102 0.10461 99 103 -0.11060 99 104 0.10931 100 104 -0.36187 101 106 0.46167 101 107 -0.13943 101 108 0.10171 9 Singlet-A 5.3799 230.46 0.0072 0.000 96 102 -0.10245 98 102 -0.14451 98 104 -0.12283 99 102 -0.23121 99 103 0.11315 100 104 0.33951 101 106 0.43603 101 107 -0.16566 10 Singlet-A 5.3908 229.99 0.0153 0.000 98 102 0.22251 98 103 0.11345 99 102 0.53060 99 104 -0.10454 100 102 0.11985 100 103 -0.11990 100 104 0.26235 100 105 -0.11323 PT62107.300S 2022-05-12T14:13:42.000 -101.55902 -19.17953 -19.17266 -19.16395 -19.11141 -14.40171 -14.39856 -14.33084 -10.33335 -10.25653 -10.24167 -10.23482 -10.23301 -10.22538 -10.21880 -10.21494 -10.21317 -10.19684 -10.19357 -10.19264 -10.19180 -10.18846 -10.18393 -10.18177 -10.18118 -10.18078 -10.17028 -9.47356 -7.23801 -7.22848 -7.22816 -1.13425 -1.09493 -1.08979 -1.05189 -1.02613 -0.91050 -0.90335 -0.87043 -0.85869 -0.82450 -0.79969 -0.78358 -0.76828 -0.76028 -0.73537 -0.72971 -0.70264 -0.67949 -0.64532 -0.64370 -0.62815 -0.61329 -0.59989 -0.58505 -0.56922 -0.55800 -0.55287 -0.53380 -0.52018 -0.50920 -0.49683 -0.49293 -0.48778 -0.47903 -0.47673 -0.46985 -0.46273 -0.45786 -0.45516 -0.45033 -0.44705 -0.43987 -0.43760 -0.43243 -0.43098 -0.41366 -0.40728 -0.40504 -0.39263 -0.38989 -0.38465 -0.37732 -0.37071 -0.36898 -0.36324 -0.35601 -0.34979 -0.33628 -0.32326 -0.31647 -0.31178 -0.30571 -0.30093 -0.28213 -0.27533 -0.27405 -0.26338 -0.25880 -0.24910 -0.22107 -0.04061 -0.03519 -0.03100 -0.02301 0.00115 0.00726 0.01124 0.01331 0.01518 0.01923 0.02363 0.02970 0.03080 0.03547 0.03632 0.03834 0.04009 0.04902 0.05022 0.05456 0.05537 0.05890 0.05975 0.06393 0.06788 0.06932 0.07332 0.07667 0.07797 0.08108 0.08973 0.09452 0.09582 0.09852 0.10055 0.10339 0.10707 0.10805 0.11206 0.11351 0.11774 0.12090 0.12227 0.12567 0.12677 0.13446 0.13540 0.13871 0.13922 0.14288 0.14681 0.14781 0.15090 0.15203 0.15640 0.15817 0.16054 0.16284 0.16846 0.16880 0.17274 0.17475 0.17796 0.17863 0.18152 0.18336 0.18817 0.19051 0.19134 0.19283 0.19450 0.19886 0.19901 0.20308 0.20368 0.20554 0.21147 0.21239 0.21745 0.21767 0.21880 0.22355 0.22429 0.22708 0.22808 0.22976 0.23114 0.23311 0.23858 0.23915 0.24325 0.24429 0.24773 0.25023 0.25391 0.25793 0.25992 0.26461 0.26652 0.26865 0.27259 0.27587 0.27633 0.27950 0.28073 0.28398 0.29051 0.29363 0.29443 0.29862 0.30126 0.30315 0.30913 0.31250 0.31431 0.31686 0.31956 0.32411 0.32504 0.32907 0.33169 0.33458 0.33822 0.34142 0.34465 0.35037 0.35082 0.35512 0.35715 0.36048 0.36797 0.37295 0.37505 0.37979 0.38230 0.38636 0.39146 0.39270 0.39880 0.40043 0.40602 0.41225 0.41865 0.42881 0.43096 0.43564 0.44090 0.45223 0.45816 0.45961 0.46028 0.46682 0.46803 0.47765 0.49111 0.49321 0.49615 0.50452 0.50661 0.51311 0.51705 0.52205 0.53240 0.53377 0.54244 0.54449 0.54765 0.54931 0.55512 0.56613 0.56629 0.57415 0.57878 0.58316 0.58701 0.59601 0.59698 0.59962 0.60704 0.61530 0.62132 0.62297 0.63238 0.63572 0.63981 0.64435 0.65104 0.65555 0.66018 0.66472 0.67207 0.67957 0.68538 0.68660 0.69469 0.69562 0.70112 0.70229 0.70775 0.70881 0.71580 0.72275 0.72663 0.72863 0.73106 0.73247 0.73793 0.74462 0.75163 0.75321 0.75635 0.76640 0.76933 0.77512 0.78044 0.78341 0.78522 0.79333 0.79553 0.80649 0.81504 0.82200 0.82679 0.83347 0.83993 0.84872 0.84920 0.85470 0.85883 0.86215 0.86344 0.86557 0.87335 0.88455 0.88825 0.89509 0.89973 0.90604 0.91238 0.91474 0.92378 0.93012 0.93284 0.94331 0.94657 0.94979 0.95996 0.96095 0.96963 0.97677 0.99345 0.99439 1.00649 1.01112 1.01768 1.02025 1.02820 1.03828 1.04762 1.05652 1.06019 1.06678 1.07098 1.08133 1.08769 1.09108 1.09536 1.09731 1.10529 1.11432 1.11727 1.12491 1.13878 1.14084 1.14192 1.15583 1.15919 1.16646 1.18175 1.19322 1.19708 1.20115 1.21232 1.22109 1.22537 1.23772 1.24889 1.26644 1.27117 1.28780 1.29708 1.30077 1.31302 1.31868 1.32432 1.34026 1.35125 1.36027 1.37066 1.38410 1.39159 1.40309 1.42544 1.42969 1.44503 1.45177 1.45646 1.45712 1.47423 1.47674 1.49148 1.49541 1.51171 1.51937 1.52429 1.52959 1.53398 1.53920 1.54887 1.55314 1.57276 1.57415 1.57547 1.57977 1.58519 1.59062 1.59270 1.60048 1.60436 1.60920 1.61565 1.62207 1.63076 1.64206 1.64711 1.65785 1.66453 1.67103 1.68676 1.69521 1.69759 1.70551 1.71317 1.72275 1.72927 1.73922 1.74934 1.75272 1.76351 1.76695 1.77123 1.77770 1.78343 1.78559 1.79934 1.80624 1.80838 1.81999 1.82241 1.83389 1.84945 1.85509 1.86317 1.86519 1.88378 1.89515 1.90191 1.91032 1.91592 1.91804 1.92222 1.92457 1.93478 1.94411 1.94973 1.95154 1.95565 1.96282 1.97137 1.98357 1.98500 1.99507 2.00780 2.00945 2.02284 2.02573 2.02778 2.05557 2.05655 2.06310 2.07126 2.07728 2.08633 2.09518 2.10920 2.11513 2.12292 2.13780 2.14572 2.16228 2.16825 2.17912 2.19620 2.20802 2.21156 2.23389 2.24686 2.25493 2.26756 2.27474 2.28629 2.29056 2.30379 2.32402 2.36373 2.38645 2.39560 2.40083 2.41433 2.42104 2.43084 2.44220 2.44818 2.45956 2.47635 2.47942 2.49071 2.51254 2.52102 2.52730 2.53111 2.53795 2.54730 2.55728 2.56789 2.57281 2.59115 2.60052 2.60209 2.62197 2.63277 2.63785 2.65401 2.65828 2.66997 2.67672 2.68178 2.68326 2.70233 2.70574 2.71750 2.72419 2.72894 2.73788 2.75527 2.76218 2.76789 2.76989 2.77913 2.78530 2.78749 2.79930 2.80109 2.80229 2.81829 2.82945 2.83351 2.83745 2.84740 2.84868 2.85593 2.87191 2.88263 2.88832 2.89559 2.90240 2.91202 2.91734 2.92353 2.93220 2.93919 2.94150 2.95005 2.95684 2.98829 2.99742 3.02534 3.03687 3.04748 3.05596 3.07451 3.07614 3.08122 3.09774 3.12344 3.13161 3.13988 3.16461 3.17847 3.19079 3.19636 3.20990 3.22309 3.22533 3.23586 3.25579 3.29963 3.33046 3.34241 3.35664 3.36842 3.38769 3.39220 3.40471 3.42125 3.44579 3.45074 3.48101 3.51048 3.53724 3.54998 3.56926 3.57062 3.59978 3.61905 3.62690 3.72145 3.74176 3.76817 3.80204 3.80743 3.81292 3.82195 3.86144 3.89604 3.89911 3.92326 3.95411 3.98188 3.99636 4.03927 4.04851 4.05590 4.07628 4.09126 4.12700 4.12795 4.14101 4.16271 4.17067 4.18960 4.19296 4.23545 4.31099 4.36167 4.56621 4.67284 4.84065 4.85327 4.93163 5.12793 5.13820 5.15002 5.16543 5.19186 5.24469 5.38403 5.42222 5.47495 5.48879 5.63939 5.82045 5.86332 5.89616 9.77252 23.56695 23.64975 23.80981 23.87337 23.88481 23.91613 23.92744 23.95272 23.96202 23.96380 23.98341 23.98999 24.03495 24.07947 24.09395 24.09438 24.17157 24.18910 24.19366 25.82721 26.11835 26.57388 35.55554 35.56510 35.64446 49.92917 49.94493 49.99238 50.04995 215.76319 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 42 43 44 45 Cl O O O O N N N C C C C C C 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 0.341024 -0.040148 0.089793 -0.039635 -0.332314 0.246332 -0.134423 -0.030691 0.242089 -0.935239 -0.497785 0.060037 0.365861 -0.123984 -0.292332 -0.349305 -0.172353 0.051619 -0.520972 -0.323935 -0.126165 0.215285 -0.384868 -0.636834 0.608275 -0.234510 -0.266600 0.211660 0.178341 0.151339 0.167003 0.161417 0.163034 0.179274 0.169763 0.210343 0.163275 0.179525 0.183299 0.184263 0.176344 0.189706 0.183347 0.188362 0.181484 -0.00000 0.9573 2.2001 1.0234 2.6085 -173.5879 -148.6867 -158.3559 -28.4335 -1.1064 -0.4368 -13.3777 11.5234 1.8543 -28.4335 -1.1064 -0.4368 -180.1714 -2.4975 21.2798 54.3738 4.1804 -11.7449 -35.1740 12.4203 4.3545 -12.1322 -10738.7165 -2756.5898 -1397.2764 -489.2181 -93.1244 -40.3386 41.5630 7.1463 -65.0750 -2339.8311 -2072.4557 -735.6556 79.4543 11.2385 -24.1421 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS22 APULGAR 2022-05-12T00:00:00.000 0 Electronic spectrum pyraclostrobin CONF62 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1660.5497358 RMSD=3.885e-09 PG=C01 [X(C19H18Cl1N3O4)] 0 -6.6057844516 -0.1389235752 -0.6048526019 0 2.1377229129 -0.7392758341 1.7826820557 0 4.2852011196 0.5552440293 0.2095064223 0 1.5429839124 -0.4184266228 -1.730000038 0 3.5726429506 -1.4064813776 -1.4727988991 0 -1.0079412196 -1.644919251 0.7438128866 0 3.1107010848 0.6401752341 -0.5447090997 0 -0.1589447051 -0.7100369447 1.2727693683 0 1.6665095064 1.6416773161 1.1902503725 0 2.1777616861 1.6375939181 -0.1159302088 0 2.0574093965 0.6266037445 2.2420302573 0 0.7755668058 2.6596284501 1.5403288331 0 1.7973614419 2.6120227837 -1.0385041809 0 1.0073783168 -1.3280862982 1.3444920083 0 -2.341404311 -1.292008798 0.4357522614 0 0.3932011361 3.6370194473 0.6244617638 0 0.8981217027 3.6096215246 -0.6744889645 0 -0.3646789215 -2.8239947936 0.4986250222 0 0.9460579407 -2.6653082626 0.8799462187 0 -2.6611955132 0.0458904148 0.1853039712 0 -3.3352177891 -2.2728375283 0.3765421827 0 2.8010970567 -0.4875622371 -1.2635264398 0 -3.9689648576 0.4011919057 -0.127553366 0 -4.6411030814 -1.9216186697 0.048480517 0 -4.9454769473 -0.5871723551 -0.1986412385 0 5.3314331862 1.3297933998 -0.4095809975 0 1.116987355 -1.5126836365 -2.5717505791 0 3.0633906217 0.8303742287 2.6093410783 0 1.3579254839 0.6810690854 3.0797999754 0 0.3578346965 2.6692697116 2.5415402421 0 2.2107021169 2.5727315811 -2.0394471298 0 -0.3058579507 4.4104954088 0.9226860447 0 0.6021581613 4.3619275018 -1.3966999898 0 -0.871299149 -3.6640074564 0.0514773792 0 1.7518101235 -3.3773552456 0.8133983393 0 -1.8879082851 0.8011853205 0.2288635449 0 -3.1048048006 -3.3070672303 0.5993055044 0 -4.2176122768 1.4366511804 -0.3237323884 0 -5.4121657361 -2.6803153823 0.0034536476 0 5.5619115082 0.9358801088 -1.402793311 0 5.0463534305 2.3840693189 -0.471874468 0 6.193904798 1.2161233078 0.2485678959 0 1.6889109323 -1.5186516931 -3.5016590743 0 0.0655960948 -1.3190274809 -2.7751650156 0 1.233516276 -2.4630543013 -2.0520959249 Gaussian 16 12-May-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 129 C1[X(C19H18ClN3O4)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) 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 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-6.6058,-.1389,-.6049;2.1377,-.7393,1.7827;4.2852,.5552,.2095;1.543,-.4184,-1.73;3.5726,-1.4065,-1.4728;-1.0079,-1.6449,.7438;3.1107,.6402,-.5447;-.1589,-.71,1.2728;1.6665,1.6417,1.1903;2.1778,1.6376,-.1159;2.0574,.6266,2.242;.7756,2.6596,1.5403;1.7974,2.612,-1.0385;1.0074,-1.3281,1.3445;-2.3414,-1.292,.4358;.3932,3.637,.6245;.8981,3.6096,-.6745;-.3647,-2.824,.4986;.9461,-2.6653,.8799;-2.6612,.0459,.1853;-3.3352,-2.2728,.3765;2.8011,-.4876,-1.2635;-3.969,.4012,-.1276;-4.6411,-1.9216,.0485;-4.9455,-.5872,-.1986;5.3314,1.3298,-.4096;1.117,-1.5127,-2.5718;3.0634,.8304,2.6093;1.3579,.6811,3.0798;.3578,2.6693,2.5415;2.2107,2.5727,-2.0394;-.3059,4.4105,.9227;.6022,4.3619,-1.3967;-.8713,-3.664,.0515;1.7518,-3.3774,.8134;-1.8879,.8012,.2289;-3.1048,-3.3071,.5993;-4.2176,1.4367,-.3237;-5.4122,-2.6803,.0035;5.5619,.9359,-1.4028;5.0464,2.3841,-.4719;6.1939,1.2161,.2486;1.6889,-1.5187,-3.5017;.0656,-1.319,-2.7752;1.2335,-2.4631,-2.0521; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C3/pyraclostrobin/octa #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-O 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point pyraclostrobin CONF62 octanol 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 42 43 44 45 35 16 16 16 16 14 14 14 12 12 12 12 12 12 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 34.9688527 15.9949146 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 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 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 3 0 0 0 0 2 2 2 0 0 0 0 0 0 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 14.2400000 5.6000000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 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 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1385 A 1223 A 1223 1781 1385 101 101 2673.4848573807 45 45 45 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 -0.0532435709 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 9.083483 0.000000 10.943428 2.960123 0.000000 8.230826 3.577093 3.497067 0.000000 10.293708 3.619712 2.680719 2.271986 0.000000 5.951703 3.434333 5.757044 3.759156 5.094308 0.000000 9.747856 2.875121 1.398394 2.232328 2.294242 4.883151 0.000000 6.738945 2.352775 4.741508 3.463845 4.684861 1.369158 3.977045 0.000000 8.650074 2.498391 2.999957 3.575912 4.473974 4.260717 2.469571 2.978196 0.000000 8.974728 3.042341 2.391379 2.689867 3.612919 4.654326 1.431458 3.591665 1.402677 0.000000 9.151049 1.443287 3.016505 4.139293 4.497702 4.098884 2.979182 2.763748 1.513082 2.568378 0.000000 8.180345 3.669708 4.303145 4.556139 5.782372 4.726994 3.725376 3.507071 1.397340 2.398729 2.503736 0.000000 8.852605 4.393875 3.460811 3.118733 4.414591 5.400734 2.420099 4.495019 2.434346 1.394761 3.843360 2.774295 0.000000 7.948226 1.347734 3.947056 3.250670 3.811018 2.126667 3.444866 1.321907 3.045938 3.506835 2.393523 3.999245 4.671959 0.000000 4.538436 4.709810 6.882981 4.532339 6.215435 1.413355 5.866864 2.408821 5.023859 5.413851 5.127697 5.152770 5.877438 3.470080 0.000000 8.047034 4.851473 4.981686 4.828264 6.320147 5.465924 4.211038 4.429680 2.433685 2.780385 3.801147 1.392950 2.405772 5.054496 5.639947 0.000000 8.388388 5.146573 4.645748 4.213683 5.740353 5.766702 3.705396 4.854756 2.817885 2.416270 4.329945 2.413074 1.391525 5.335652 5.979393 1.393904 0.000000 6.883216 3.500981 5.755365 3.793772 4.625836 1.365329 5.016701 2.260629 4.954422 5.171794 4.562083 5.696967 6.048758 2.199039 2.501675 6.506529 6.660502 0.000000 8.100467 2.438155 4.687358 3.495228 3.744196 2.208583 4.200184 2.280006 4.377838 4.585175 3.731898 5.368438 5.679383 1.416942 3.590358 6.331687 6.464775 1.374270 0.000000 4.027193 5.118371 6.965088 4.643178 6.612067 2.429819 5.848152 2.831125 4.720750 5.102918 5.180018 4.525379 5.287861 4.085335 1.398201 4.734808 5.109615 3.688956 4.565677 0.000000 4.026578 5.855094 8.129990 5.627896 7.203414 2.438316 7.133317 3.651613 6.403345 6.776942 6.400565 6.525502 7.225482 4.548365 1.397568 6.992066 7.323193 3.023703 4.328599 2.422267 0.000000 9.436356 3.127749 2.336629 1.343587 1.217986 4.458437 1.372714 3.904374 3.441216 2.494356 3.752781 4.676450 3.265815 3.275007 5.475400 5.135624 4.555787 4.311175 3.574664 5.676295 6.597832 0.000000 2.733561 6.499331 8.262481 5.798378 7.871037 3.703176 7.095971 4.208561 5.918951 6.269854 6.479423 5.512980 6.242445 5.470038 2.415201 5.483119 5.855057 4.876967 5.880130 1.390820 2.793954 6.921998 0.000000 2.732182 7.096328 9.264971 6.607988 8.369306 3.709436 8.185666 4.801724 7.333941 7.693630 7.495009 7.249396 7.949168 5.825570 2.415575 7.521598 7.861318 4.393713 5.697436 2.794610 1.391516 7.691828 2.424501 0.000000 1.767075 7.356663 9.310055 6.668857 8.651769 4.184643 8.156479 5.009095 7.114433 7.463039 7.514689 6.804122 7.510399 6.194086 2.771361 6.857316 7.210212 5.145218 6.339731 2.401276 2.401091 7.820058 1.391220 1.390849 0.000000 12.028816 4.391680 1.441457 4.376314 3.422130 7.096964 2.329267 6.093887 4.011034 3.182234 4.271387 5.130938 3.811734 5.370153 8.152354 5.547853 4.992198 7.108058 6.070851 8.116921 9.418481 3.230264 9.350895 10.499190 10.456296 0.000000 8.086848 4.538848 4.695668 1.444789 2.692437 3.940275 3.566314 4.129477 4.940103 4.132862 5.351021 5.868045 4.452747 3.922123 4.588490 6.104022 5.466764 3.652681 3.643072 4.930027 5.393737 2.366125 5.958517 6.339436 6.575842 5.524148 0.000000 10.235406 2.001007 2.706977 4.764559 4.682598 5.116934 3.160134 3.813494 2.150188 2.977087 1.090155 3.118188 4.252514 3.238207 6.200065 4.352805 4.816238 5.437021 4.437758 6.265960 7.453691 4.099373 7.558360 8.572671 8.604427 3.808849 6.010168 0.000000 8.813043 2.075567 4.101629 4.937339 5.476221 4.057633 4.026284 2.738874 2.142053 3.435078 1.092750 2.573676 4.569695 2.677850 4.956719 3.961947 4.783568 4.681378 4.025821 4.993485 6.169178 4.723656 6.224244 7.207720 7.217305 5.327794 6.067176 1.775453 0.000000 8.141114 3.919445 5.033060 5.402268 6.562138 4.869229 4.606564 3.646444 2.143493 3.382106 2.674088 1.084904 3.859046 4.222995 5.235643 2.147785 3.393968 5.905208 5.618240 4.642037 6.538370 5.514857 5.566815 7.230559 6.799862 5.936328 6.649119 3.272028 2.289726 0.000000 9.334965 5.058003 3.664914 3.080362 4.243832 5.991225 2.603654 5.230925 3.404990 2.139038 4.705525 3.857714 1.083643 5.302397 6.464093 3.395943 2.158962 6.496080 6.128560 5.921979 7.750727 3.211856 6.823431 8.456114 8.036446 3.733674 4.262649 5.037273 5.523795 4.942457 0.000000 7.919575 5.764618 6.037335 5.811493 7.390422 6.098603 5.295417 5.134588 3.410011 3.864722 4.652262 2.148604 3.391799 5.902019 6.074464 1.084383 2.154515 7.247147 7.185828 5.014093 7.358141 6.198682 5.531353 7.723617 6.910870 6.560847 7.022793 5.197491 4.618434 2.468409 4.299382 0.000000 8.534584 6.203927 5.534938 4.883444 6.488768 6.576962 4.568382 5.781883 3.901912 3.397777 5.413941 3.399122 2.149182 6.328870 6.632453 2.157371 1.084042 7.494299 7.394824 5.637410 7.916276 5.326408 6.180075 8.310432 7.530285 5.703883 6.013057 5.880298 5.844566 4.293544 2.490333 2.491265 0.000000 6.763232 4.539310 6.664574 4.419980 5.212338 2.138859 5.893874 3.274896 5.990623 6.118151 5.637836 6.702031 6.906400 3.264635 2.816958 7.431841 7.520875 1.078066 2.233058 4.121284 2.848143 5.030461 5.114043 4.152993 5.111594 7.976497 3.932277 6.497993 5.746292 6.915315 7.264132 8.141027 8.287577 0.000000 9.074594 2.836883 4.716788 3.907396 3.525120 3.259203 4.453268 3.313094 5.033883 5.118086 4.262167 6.158462 6.269312 2.244046 4.609305 7.147235 7.194473 2.210162 1.077347 5.620296 5.223854 3.710192 6.920266 6.601031 7.325503 6.038760 3.916533 4.759269 4.665033 6.441375 6.614593 8.055840 8.130359 2.746524 0.000000 4.882340 4.581820 6.178037 4.134685 6.130829 2.650083 5.060675 2.522468 3.776848 4.165109 4.432702 3.502549 4.297274 3.763125 2.151726 3.660862 4.057748 3.941438 4.524583 1.081823 3.400901 5.086735 2.148912 3.876375 3.385118 7.266769 4.714534 5.493895 4.321771 3.725798 5.008215 4.001424 4.639156 4.582893 5.572202 0.000000 4.872780 5.956344 8.347549 5.947424 7.245285 2.679637 7.451309 3.984496 6.899618 7.270952 6.694831 7.179434 7.858071 4.624037 2.161016 7.775411 8.092376 2.784203 4.110973 3.407420 1.082749 6.804368 3.876375 2.140815 3.379737 9.679279 5.576642 7.694498 6.478738 7.174869 8.354021 8.215805 8.748662 2.327245 4.861840 4.300675 0.000000 2.874862 7.040023 8.564990 6.213161 8.372087 4.575775 7.374780 4.861056 6.079233 6.401903 6.827533 5.468294 6.170276 6.142253 3.397434 5.196181 5.569162 5.802971 6.703611 2.148434 3.876766 7.338126 1.082815 3.405270 2.154367 9.550029 6.496931 7.872960 6.575831 5.537495 6.749636 5.069431 5.739224 6.111899 7.752530 2.477236 4.959154 0.000000 2.872879 7.995881 10.224981 7.516323 9.193952 4.584471 9.163264 5.752347 8.378290 8.733017 8.470035 8.316551 9.003988 6.696077 3.397625 8.602131 8.935471 5.073752 6.418370 3.877255 2.149173 8.594829 3.405243 1.082675 2.154040 11.475038 7.115116 9.536805 8.160695 8.267578 9.480299 8.786294 9.366200 4.646442 7.243233 4.959037 2.464097 4.299235 0.000000 12.241108 4.967743 2.091503 4.253586 3.073882 7.377764 2.613844 6.526551 4.732460 3.687938 5.065760 5.877276 4.136907 5.780735 8.414638 6.174260 5.424966 7.271625 6.283754 8.422210 9.623971 3.109289 9.630666 10.694531 10.685265 1.093050 5.207617 4.727680 6.150778 6.756095 3.783545 7.204965 6.028017 8.041148 6.167040 7.627599 9.855099 9.851611 11.639793 0.000000 11.922898 4.826846 2.094811 4.659449 4.188311 7.373271 2.606381 6.301778 3.838900 2.985421 4.403152 4.729113 3.305901 5.778634 8.301584 4.942030 4.330226 7.572653 6.643497 8.081168 9.625868 3.730168 9.237225 10.613978 10.427829 1.093914 5.918959 3.979950 5.396212 5.580700 3.245581 5.890447 4.951575 8.477720 6.760174 7.147065 9.998892 9.313464 11.629899 1.797126 0.000000 12.899478 4.757069 2.020257 5.312019 4.088052 7.765141 3.235297 6.716977 4.643831 4.054615 4.629473 5.754193 4.789017 5.879975 8.898161 6.296840 5.884402 7.707146 6.557747 8.932315 10.148567 4.086578 10.202426 11.281970 11.293259 1.090843 6.416827 3.939819 5.629285 6.436542 4.789708 7.273607 6.623490 8.589041 6.414927 8.092482 10.346413 10.429566 12.245129 1.790236 1.788857 0.000000 8.893656 5.360328 4.981417 2.090590 2.770794 5.031201 3.927540 5.183010 5.657048 4.654463 6.142302 6.611646 4.810547 4.897549 5.638973 6.729389 5.909097 4.682246 4.589675 5.913114 6.391487 2.703579 6.861629 7.268765 7.469450 5.562603 1.091724 6.689652 6.947224 7.471995 4.376042 7.662161 6.339803 4.876680 4.698772 5.664987 6.557137 7.329396 8.003785 5.042826 5.973546 6.468243 0.000000 7.114086 5.040217 5.497838 2.021417 3.742083 3.693493 4.252772 4.099642 5.201271 4.502708 5.738035 5.912466 4.633374 4.225945 4.013025 6.018903 5.421948 3.628741 3.993435 4.250032 4.733767 3.234092 5.123152 5.521694 5.681984 6.351479 1.088257 6.526837 6.320690 6.652764 4.504281 6.829313 5.870376 3.790331 4.467417 4.163613 5.038928 5.652359 6.291240 6.097335 6.620122 7.288767 1.789635 0.000000 8.303658 4.300526 4.851572 2.092849 2.631244 3.675674 3.927604 4.008335 5.248725 4.632025 5.353906 6.273525 5.205929 3.588328 4.510077 6.714238 6.235999 3.031614 2.953034 5.144856 5.177625 2.642295 6.242882 6.262326 6.718198 5.820350 1.089415 5.993672 6.019746 6.943275 5.129736 7.646220 6.885386 3.208981 3.052152 5.059775 5.153961 6.921687 6.959711 5.541602 6.366273 6.590513 1.788998 1.787642 0.000000 C19H18ClN3O4 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 0 0 0 0 369.67399999999975 AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;6;7;8;2;3;4;5;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45/rA:45nCl0O0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:6.5092,1.0736,.6873;-1.9758,-.9932,-1.8114;-4.3241,-.2002,-.1933;-1.4492,-.7557,1.7187;-3.2628,-2.0844,1.3909;1.283,-1.3602,-.7914;-3.185,.0587,.5755;.2766,-.5702,-1.2789;-1.9499,1.3989,-1.0909;-2.4514,1.2317,.2083;-2.1479,.3866,-2.198;-1.2613,2.5802,-1.3788;-2.2563,2.209,1.1842;-.7564,-1.387,-1.3939;2.529,-.7854,-.4527;-1.0648,3.5611,-.4095;-1.5557,3.3725,.8813;.8674,-2.6486,-.6143;-.4503,-2.7131,-.9993;2.5976,.5732,-.1296;3.6861,-1.569,-.4353;-2.6733,-1.0297,1.2373;3.8179,1.1453,.2138;4.9053,-1.002,-.077;4.9594,.3506,.2424;-5.4947,.3353,.4555;-.8292,-1.7964,2.5062;-3.1743,.4216,-2.5637;-1.4705,.613,-3.0251;-.8527,2.7195,-2.3741;-2.6551,2.0414,2.1777;-.5198,4.4644,-.6603;-1.4028,4.1269,1.6447;1.5199,-3.4039,-.2069;-1.1114,-3.5634,-.9777;1.6987,1.175,-.141;3.6496,-2.6146,-.714;3.8721,2.1969,.4662;5.8027,-1.6077,-.0643;-5.6486,-.1464,1.4245;-5.4082,1.4191,.5755;-6.3218,.1004,-.2159;-1.3901,-1.9566,3.429;.1688,-1.4242,2.7294;-.7693,-2.723,1.9365; 0.3226004 0.1060534 0.0950236 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= 1223 RedAO= T EigKep= 1.08D-06 NBF= 1223 NBsUse= 1218 1.00D-06 EigRej= 8.90D-07 NBFU= 1218 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= 1340 1340 1340 1340 1340 MxSgAt= 45 MxSgA2= 45. 1 Closed 1 1 1 -1660.55502859465 -1660.63934523118 -0.084316636532 -1660.63932405667 0.000021174511 -1660.63977598465 -0.000451927980 -1660.63982877908 -0.000052794434 -1660.63983489473 -0.000006115644 -1660.63983548093 -0.000000586205 -1660.63983552723 -0.000000046301 -1660.63983553203 -0.000000004798 -1660.63983553270 -0.000000000670 -1660.63983553274 -0.000000000036 -1660.63983553262 0.000000000124 -1660.63983553 12 1.654173601604e+03 -9.242271351485e+03 3.254023510848e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3771002521 LenY= 3769082911 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. PT63357.100S 2022-05-12T15:19:48.000 -101.55692 -19.17915 -19.17178 -19.16356 -19.10931 -14.40014 -14.39685 -14.32921 -10.32919 -10.25417 -10.23950 -10.23270 -10.23103 -10.22329 -10.21658 -10.21288 -10.21121 -10.19504 -10.19171 -10.19081 -10.18997 -10.18666 -10.18220 -10.18012 -10.17961 -10.17922 -10.16840 -9.47160 -7.23533 -7.22690 -7.22658 -1.13026 -1.09124 -1.08641 -1.04830 -1.02213 -0.90775 -0.90043 -0.86735 -0.85638 -0.82180 -0.79715 -0.78154 -0.76628 -0.75811 -0.73307 -0.72735 -0.70057 -0.67783 -0.64311 -0.64147 -0.62620 -0.61148 -0.59766 -0.58324 -0.56749 -0.55616 -0.55096 -0.53191 -0.51854 -0.50760 -0.49541 -0.49110 -0.48606 -0.47730 -0.47536 -0.46870 -0.46148 -0.45630 -0.45403 -0.44922 -0.44561 -0.43821 -0.43600 -0.43094 -0.42954 -0.41206 -0.40613 -0.40417 -0.39109 -0.38842 -0.38368 -0.37644 -0.36980 -0.36771 -0.36223 -0.35504 -0.34905 -0.33571 -0.32233 -0.31576 -0.31077 -0.30452 -0.30028 -0.28138 -0.27487 -0.27344 -0.26287 -0.25826 -0.24830 -0.22029 -0.04076 -0.03481 -0.03139 -0.02317 -0.00057 0.00575 0.00998 0.01294 0.01398 0.01785 0.02250 0.02911 0.03101 0.03410 0.03494 0.03752 0.03854 0.04727 0.04873 0.05329 0.05401 0.05781 0.05814 0.06264 0.06591 0.06770 0.07188 0.07509 0.07620 0.07975 0.08782 0.09187 0.09434 0.09673 0.09933 0.10136 0.10534 0.10606 0.10944 0.11115 0.11531 0.11884 0.11970 0.12335 0.12464 0.13204 0.13333 0.13623 0.13700 0.14026 0.14395 0.14525 0.14761 0.14927 0.15303 0.15448 0.15576 0.15920 0.16418 0.16495 0.16959 0.17020 0.17263 0.17469 0.17599 0.17919 0.18191 0.18455 0.18570 0.18718 0.18949 0.19356 0.19525 0.19572 0.19741 0.19926 0.20450 0.20617 0.20814 0.21063 0.21402 0.21546 0.21748 0.22103 0.22128 0.22227 0.22391 0.22681 0.22976 0.23232 0.23346 0.23637 0.23992 0.24242 0.24604 0.25009 0.25153 0.25523 0.25704 0.25925 0.26239 0.26424 0.26570 0.26902 0.27016 0.27348 0.27676 0.27870 0.28254 0.28620 0.28693 0.29179 0.29403 0.29746 0.30072 0.30282 0.30421 0.30607 0.30797 0.31319 0.31501 0.31619 0.31963 0.32117 0.32377 0.32715 0.33097 0.33274 0.33478 0.33764 0.34013 0.34547 0.34582 0.35437 0.35576 0.35951 0.36265 0.36450 0.36680 0.36918 0.37309 0.37514 0.37601 0.38114 0.38392 0.38902 0.39396 0.39598 0.39858 0.40292 0.40530 0.40788 0.40988 0.41235 0.42144 0.42286 0.42573 0.42840 0.43138 0.43304 0.43687 0.43982 0.44239 0.44498 0.44987 0.45207 0.45419 0.45834 0.46361 0.46699 0.46945 0.47344 0.47572 0.47935 0.48323 0.48758 0.49215 0.49398 0.49762 0.50187 0.50318 0.50939 0.51221 0.51470 0.51736 0.52035 0.52217 0.53085 0.53354 0.53542 0.54028 0.54158 0.54503 0.55312 0.55530 0.55661 0.55952 0.56404 0.56603 0.56918 0.57207 0.57594 0.57670 0.58090 0.58368 0.58450 0.58828 0.59202 0.59426 0.59689 0.59708 0.60243 0.60552 0.60991 0.61300 0.61431 0.61958 0.62374 0.62584 0.62734 0.63040 0.63341 0.63461 0.64030 0.64081 0.64816 0.64989 0.65536 0.65969 0.66069 0.66119 0.66482 0.67334 0.67767 0.67851 0.68303 0.68793 0.69144 0.69431 0.70022 0.70211 0.70746 0.71045 0.71587 0.71859 0.72044 0.72103 0.72493 0.73280 0.73831 0.73871 0.74147 0.74716 0.75060 0.75833 0.76156 0.76707 0.76783 0.77047 0.77644 0.77870 0.78638 0.78891 0.79047 0.79745 0.80237 0.80965 0.81016 0.81258 0.81915 0.82214 0.83073 0.83325 0.83666 0.84078 0.84561 0.85059 0.85081 0.85652 0.86007 0.86612 0.87024 0.87315 0.87651 0.88542 0.89030 0.89534 0.90057 0.90557 0.90955 0.91370 0.92215 0.92676 0.93312 0.93513 0.93781 0.94415 0.95180 0.95344 0.96084 0.96403 0.96995 0.97352 0.98246 0.98380 0.98644 0.99113 0.99373 1.00187 1.00253 1.01530 1.02129 1.02746 1.03449 1.03940 1.04742 1.04902 1.05205 1.05941 1.06236 1.06528 1.07403 1.08015 1.08062 1.08796 1.09539 1.09706 1.09764 1.10108 1.10795 1.11163 1.11302 1.11683 1.12222 1.12743 1.13343 1.13446 1.13678 1.14235 1.14681 1.14877 1.15167 1.15568 1.15859 1.16430 1.16726 1.17016 1.17480 1.17692 1.17805 1.18475 1.18635 1.19447 1.20101 1.20204 1.20235 1.20628 1.21025 1.21285 1.22093 1.22166 1.22389 1.22393 1.22964 1.23483 1.24075 1.24658 1.24731 1.25524 1.25580 1.25984 1.26733 1.27142 1.27210 1.27325 1.27808 1.28555 1.28857 1.29099 1.29263 1.29717 1.29979 1.30428 1.30970 1.31355 1.31828 1.31881 1.32352 1.32590 1.33035 1.33555 1.33913 1.34217 1.34391 1.34824 1.34980 1.35722 1.36150 1.36667 1.36948 1.37595 1.37871 1.38297 1.38504 1.39075 1.39333 1.39973 1.40168 1.40594 1.41006 1.41486 1.41854 1.42075 1.42902 1.43284 1.43540 1.43956 1.44174 1.44411 1.45015 1.45563 1.45980 1.46250 1.46756 1.46994 1.48096 1.48313 1.48759 1.49466 1.50055 1.50301 1.51481 1.51517 1.52075 1.52428 1.52833 1.53539 1.54411 1.54608 1.54813 1.55403 1.56544 1.56747 1.57785 1.58127 1.58507 1.59097 1.60167 1.61075 1.61432 1.61594 1.62341 1.63005 1.63026 1.63687 1.64155 1.64784 1.65312 1.66296 1.66832 1.67435 1.67562 1.69138 1.69526 1.70844 1.71370 1.71691 1.72283 1.72658 1.73378 1.74446 1.75577 1.76121 1.77672 1.78423 1.79198 1.79531 1.79959 1.81388 1.82069 1.83113 1.84269 1.84864 1.85762 1.86172 1.87839 1.88278 1.89260 1.89929 1.91068 1.92066 1.92469 1.93656 1.94102 1.94418 1.95320 1.95763 1.97116 1.97566 1.97710 1.98656 1.99203 1.99612 2.00265 2.00425 2.01486 2.01639 2.01834 2.02717 2.02931 2.03897 2.05157 2.05755 2.07045 2.07460 2.08010 2.08388 2.08741 2.09555 2.09715 2.09906 2.10484 2.10928 2.11950 2.12436 2.12729 2.13221 2.14078 2.15180 2.16514 2.17005 2.18401 2.19091 2.19807 2.20637 2.21185 2.22072 2.22546 2.22986 2.24029 2.24984 2.26259 2.26824 2.27348 2.28231 2.28624 2.30814 2.32066 2.33301 2.33872 2.34127 2.35052 2.35682 2.36871 2.37162 2.38673 2.40274 2.40567 2.41124 2.41992 2.43164 2.44369 2.45689 2.47196 2.47903 2.48687 2.49699 2.51261 2.51896 2.53196 2.53941 2.54825 2.56012 2.57452 2.57575 2.58543 2.60354 2.61281 2.62207 2.63868 2.64257 2.64986 2.65744 2.67215 2.68297 2.69656 2.71073 2.72481 2.73363 2.73728 2.74165 2.75776 2.76648 2.77149 2.77641 2.78983 2.79491 2.80458 2.80919 2.81569 2.81646 2.82576 2.83229 2.83770 2.84248 2.84932 2.85286 2.85486 2.86516 2.86940 2.87505 2.88002 2.88933 2.89159 2.89841 2.90329 2.90661 2.91543 2.91816 2.92242 2.92598 2.92873 2.93848 2.94544 2.95362 2.95990 2.96444 2.97188 2.97590 2.97907 2.99535 3.00236 3.00614 3.00986 3.01770 3.01979 3.03277 3.03812 3.04594 3.05722 3.06293 3.06992 3.07486 3.07694 3.08540 3.09450 3.09875 3.10272 3.10390 3.11800 3.12293 3.13532 3.13839 3.14198 3.15118 3.16332 3.16644 3.17555 3.18053 3.18275 3.19059 3.20432 3.21418 3.21909 3.22828 3.23228 3.24565 3.25008 3.25434 3.25558 3.26004 3.26304 3.27526 3.27904 3.29098 3.29798 3.30109 3.30622 3.30916 3.31888 3.32688 3.32864 3.33696 3.34110 3.35108 3.35494 3.35675 3.35907 3.36440 3.38315 3.38691 3.39225 3.39437 3.39992 3.41131 3.41264 3.41693 3.42984 3.43985 3.44994 3.45797 3.46272 3.47266 3.48368 3.49080 3.49763 3.50346 3.50848 3.51955 3.52241 3.53085 3.54620 3.55088 3.55735 3.56819 3.57891 3.58163 3.58930 3.59271 3.60199 3.60644 3.61266 3.61584 3.62395 3.63092 3.63839 3.64595 3.64866 3.66299 3.66515 3.67104 3.68416 3.69052 3.69534 3.70087 3.70527 3.71268 3.71895 3.73801 3.75031 3.75609 3.75900 3.76380 3.77032 3.77950 3.78920 3.79807 3.80890 3.81317 3.81949 3.82733 3.83545 3.83983 3.85333 3.85653 3.86820 3.88026 3.89805 3.90198 3.91907 3.92046 3.92696 3.93463 3.95470 3.96181 3.96793 3.98260 3.99611 4.00248 4.01352 4.01955 4.04775 4.07660 4.08548 4.09507 4.11115 4.12377 4.12666 4.15056 4.17042 4.18041 4.18522 4.19056 4.20757 4.20839 4.21910 4.22045 4.24587 4.25163 4.25382 4.26363 4.27072 4.27441 4.27653 4.28655 4.29327 4.29620 4.29721 4.30833 4.31415 4.31852 4.32810 4.33510 4.33869 4.34682 4.35270 4.35413 4.36416 4.37176 4.37733 4.38491 4.39049 4.39658 4.39897 4.40536 4.42009 4.42722 4.43344 4.44184 4.44637 4.45174 4.45860 4.46225 4.46808 4.46978 4.48805 4.49929 4.50367 4.51642 4.51909 4.52622 4.52972 4.53719 4.54199 4.54523 4.55868 4.56611 4.57186 4.57484 4.57881 4.58761 4.60093 4.61902 4.63253 4.63812 4.64568 4.65629 4.66115 4.68528 4.69791 4.72049 4.72779 4.74780 4.75782 4.76281 4.78050 4.80784 4.81988 4.83887 4.83994 4.86129 4.89105 4.90069 4.91787 4.92554 4.94692 4.96769 4.97924 5.01585 5.02330 5.05401 5.08085 5.08445 5.09950 5.10497 5.12330 5.14741 5.15464 5.15961 5.18099 5.18774 5.20218 5.21383 5.22374 5.23524 5.26442 5.31108 5.32302 5.33557 5.34948 5.37234 5.38279 5.40615 5.41033 5.43179 5.43617 5.45924 5.46946 5.48280 5.49531 5.51872 5.52480 5.54243 5.56941 5.59700 5.60796 5.62007 5.63277 5.66333 5.67620 5.68731 5.71880 5.74782 5.75538 5.76855 5.80093 5.83339 5.84602 5.84874 5.85436 5.87701 5.88297 5.88904 5.90229 5.92569 5.93124 5.95671 5.96320 5.97326 5.98695 5.99912 6.01788 6.04372 6.09565 6.12116 6.14708 6.15119 6.19679 6.23099 6.26734 6.28891 6.35105 6.37397 6.43959 6.45951 6.46232 6.52429 6.61274 6.62440 6.63150 6.75681 6.76110 6.93796 6.95084 7.06015 7.08116 7.10932 7.11424 7.13770 7.14126 7.15000 7.16260 7.16639 7.17106 7.18337 7.19967 7.24834 7.25830 7.27529 7.27965 7.29280 7.30450 7.30746 7.32622 7.32872 7.34193 7.34827 7.35434 7.37117 7.38160 7.38865 7.39936 7.40590 7.41731 7.42913 7.43240 7.44101 7.44341 7.45682 7.47046 7.47290 7.47843 7.48134 7.53332 7.54138 7.56725 7.57637 7.59806 7.60951 7.61932 7.62003 7.64937 7.65869 7.67326 7.68529 7.70282 7.72423 7.75572 7.79693 7.82694 7.85594 7.87352 7.87813 7.89143 7.92424 7.94901 7.95231 7.96761 7.96916 7.98006 7.98170 7.99392 8.00383 8.01760 8.03995 8.04497 8.08031 8.10559 8.14476 8.15950 8.20719 8.23068 8.26550 8.28058 8.28914 8.29728 8.31150 8.32407 8.37195 8.38109 8.41574 8.43949 8.46448 8.48893 8.50320 8.55361 8.62998 8.70418 8.76943 9.37715 9.38961 10.02092 10.24168 10.54424 10.55284 10.58934 10.63415 10.67303 10.78385 10.82880 10.92369 11.03276 11.07663 11.20284 11.35289 11.48590 12.24103 14.39944 14.43462 14.47145 14.47676 14.48674 14.50599 14.51138 14.54903 14.55878 14.57726 14.62859 14.70098 14.81713 14.86272 15.00902 15.06852 15.08718 15.11486 15.15599 15.22959 23.95908 24.10672 24.30007 24.33275 24.43254 24.58492 24.95468 24.97447 24.97536 24.99135 25.22872 25.30127 25.36657 25.37218 25.40943 25.41571 25.53413 25.79407 25.79610 26.03638 27.11013 28.08635 36.13242 36.17100 36.27468 50.23686 50.29482 50.32598 50.52046 216.03032 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 42 43 44 45 Cl O O O O N N N C C C C C C 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 -0.292484 -0.668505 -0.327325 -0.376530 -0.793747 -0.559088 -0.520465 -0.535613 0.249306 -0.269793 0.053331 0.004113 0.084099 0.981459 0.235420 -0.387828 -0.066172 0.310084 -0.705102 -0.260735 -0.165629 1.054153 -0.483867 -0.538361 1.138393 -0.100963 -0.179252 0.177276 0.149819 0.147248 0.159046 0.154977 0.155681 0.206713 0.192975 0.251416 0.156756 0.161111 0.164711 0.162067 0.185089 0.160569 0.166288 0.184978 0.184380 -0.00000 0.8060 2.1466 0.8528 2.4464 -173.5000 -148.9754 -158.0637 -27.9727 -0.7098 -0.1048 -13.3203 11.2043 2.1160 -27.9727 -0.7098 -0.1048 -182.3563 -2.9680 20.3393 52.9231 2.8424 -14.2987 -34.2802 11.9707 3.5184 -12.7803 -10753.9670 -2763.4834 -1397.8690 -481.7490 -89.5095 -37.7911 42.1964 8.3412 -61.2964 -2336.4830 -2066.6141 -736.2558 78.4000 12.4606 -23.1957 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-BELVIS22 APULGAR 2022-05-12T00:00:00.000 0 Single Point pyraclostrobinCONF62 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1660.6398355 RMSD=3.876e-09 Dipole=-0.4698623,0.7882692,-0.2902513 Quadrupole=-16.8008486,15.2000281,1.6008205,16.1030982,0.4840408,0.5391806 PG=C01 [X(C19H18Cl1N3O4)] 0 -6.6057844516 -0.1389235752 -0.6048526019 0 2.1377229129 -0.7392758341 1.7826820557 0 4.2852011196 0.5552440293 0.2095064223 0 1.5429839124 -0.4184266228 -1.730000038 0 3.5726429506 -1.4064813776 -1.4727988991 0 -1.0079412196 -1.644919251 0.7438128866 0 3.1107010848 0.6401752341 -0.5447090997 0 -0.1589447051 -0.7100369447 1.2727693683 0 1.6665095064 1.6416773161 1.1902503725 0 2.1777616861 1.6375939181 -0.1159302088 0 2.0574093965 0.6266037445 2.2420302573 0 0.7755668058 2.6596284501 1.5403288331 0 1.7973614419 2.6120227837 -1.0385041809 0 1.0073783168 -1.3280862982 1.3444920083 0 -2.341404311 -1.292008798 0.4357522614 0 0.3932011361 3.6370194473 0.6244617638 0 0.8981217027 3.6096215246 -0.6744889645 0 -0.3646789215 -2.8239947936 0.4986250222 0 0.9460579407 -2.6653082626 0.8799462187 0 -2.6611955132 0.0458904148 0.1853039712 0 -3.3352177891 -2.2728375283 0.3765421827 0 2.8010970567 -0.4875622371 -1.2635264398 0 -3.9689648576 0.4011919057 -0.127553366 0 -4.6411030814 -1.9216186697 0.048480517 0 -4.9454769473 -0.5871723551 -0.1986412385 0 5.3314331862 1.3297933998 -0.4095809975 0 1.116987355 -1.5126836365 -2.5717505791 0 3.0633906217 0.8303742287 2.6093410783 0 1.3579254839 0.6810690854 3.0797999754 0 0.3578346965 2.6692697116 2.5415402421 0 2.2107021169 2.5727315811 -2.0394471298 0 -0.3058579507 4.4104954088 0.9226860447 0 0.6021581613 4.3619275018 -1.3966999898 0 -0.871299149 -3.6640074564 0.0514773792 0 1.7518101235 -3.3773552456 0.8133983393 0 -1.8879082851 0.8011853205 0.2288635449 0 -3.1048048006 -3.3070672303 0.5993055044 0 -4.2176122768 1.4366511804 -0.3237323884 0 -5.4121657361 -2.6803153823 0.0034536476 0 5.5619115082 0.9358801088 -1.402793311 0 5.0463534305 2.3840693189 -0.471874468 0 6.193904798 1.2161233078 0.2485678959 0 1.6889109323 -1.5186516931 -3.5016590743 0 0.0655960948 -1.3190274809 -2.7751650156 0 1.233516276 -2.4630543013 -2.0520959249