Gaussian 16 GINC-HAMILTON19 APULGAR Optimization dimoxystrobin CONF25 octanol EM64L-G16RevC.01 7-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 46 46 87 87 660 (5D, 7F) 6-311+G(d,p) 132 132 C1[X(C19H22N2O3)] C1[X(C19H22N2O3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 304.21489999999983 0 1 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6658,.4374,1.299;-.4613,1.4196,-2.2742;-2.4209,-1.3853,.7315;-.6745,.1734,-1.8093;-.8996,-2.2455,-.7165;-.9712,2.0776,.7966;.4979,1.7719,.8463;-1.8384,1.2832,.0397;1.631,-.3751,.8087;1.7099,-1.6322,1.4319;2.4827,-.052,-.2384;-1.4866,3.1618,1.4943;3.4051,-.9816,-.7259;-3.1947,1.5804,-.0008;2.631,-2.5398,.9353;-1.3265,.1199,-.7203;3.4666,-2.233,-.1345;-2.8404,3.4649,1.4418;-3.696,2.6724,.6936;.8274,-1.9738,2.5945;4.2988,-.6099,-1.8722;-1.5992,-1.2518,-.1663;-.9696,-3.6219,-.2989;.3216,1.3739,-3.4578;.9297,1.9319,-.1424;1.009,2.4541,1.5318;2.455,.9247,-.7045;-.8212,3.7751,2.0901;-3.8634,.9612,-.5853;2.6987,-3.5179,1.3979;4.1708,-2.972,-.4973;-3.2245,4.3144,1.9916;-4.7539,2.8967,.653;1.023,-1.3293,3.4546;-.2336,-1.873,2.3631;.9969,-3.0018,2.9129;4.9592,-1.4316,-2.1473;3.7208,-.3406,-2.7587;4.9254,.2503,-1.6288;-.2274,-2.0064,-1.4294;.007,-3.9674,.0429;-1.2899,-4.2613,-1.1225;-1.6787,-3.7341,.5158;1.297,.9165,-3.278;.4652,2.4082,-3.7638;-.1897,.8322,-4.2561; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6499972/Gau-1532082.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6499972/" chk=opt-b3lyp-pople.chk #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 dimoxystrobin CONF25 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 46 16 16 16 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 1 1 1 1 15.9949146 15.9949146 15.9949146 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 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 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 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 -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 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 18 19 20 20 20 21 21 21 23 23 23 24 24 24 7 9 4 24 22 16 22 23 40 7 8 12 25 26 14 16 10 11 15 20 13 27 18 28 17 21 19 29 17 30 22 31 19 32 33 34 35 36 37 38 39 41 42 43 44 45 46 1.4193 1.3535 1.347 1.4198 1.2244 1.2704 1.3341 1.44 1.0086 1.5014 1.3986 1.3884 1.0907 1.0938 1.3891 1.4809 1.4053 1.3879 1.3852 1.499 1.3974 1.0825 1.3883 1.0835 1.3855 1.5003 1.3878 1.0827 1.3917 1.084 1.5043 1.0833 1.3856 1.0823 1.0822 1.0924 1.0906 1.0895 1.0895 1.092 1.0917 1.0908 1.0908 1.0859 1.0922 1.0881 1.0918 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A77 A78 7 4 2 22 22 23 7 7 8 1 1 1 6 6 25 6 6 14 1 1 10 9 9 15 9 9 13 6 6 18 11 11 17 8 8 19 10 10 17 4 4 8 13 13 15 12 12 19 14 14 18 10 10 10 34 34 35 13 13 13 37 37 38 3 3 5 5 5 5 41 41 42 2 2 2 44 44 45 1 2 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 9 24 16 23 40 40 8 12 12 6 25 26 25 26 26 14 16 16 10 11 11 15 20 20 13 27 27 18 28 28 17 21 21 19 29 29 17 30 30 8 22 22 15 31 31 19 32 32 18 33 33 34 35 36 35 36 36 37 38 39 38 39 39 5 16 16 41 42 43 42 43 43 44 45 46 45 46 46 122.2299 110.1986 114.588 124.5305 117.6732 117.6462 120.5945 120.3654 119.0381 108.529 112.3459 109.3434 109.1207 110.5482 106.9567 119.9749 120.6399 119.385 114.6057 124.8276 120.5564 117.6753 120.9767 121.3479 120.8926 121.2783 117.8292 120.8907 119.3684 119.7404 118.7656 119.6702 121.5639 120.4331 119.7589 119.8057 122.0311 118.6664 119.3025 125.7546 116.5627 117.6825 120.0403 120.1345 119.823 119.849 119.8839 120.2654 119.8092 119.8306 120.359 111.7678 112.7741 110.494 106.6617 107.3795 107.4887 111.5401 111.475 111.5141 107.5711 107.6175 106.8839 124.9695 119.4206 115.6099 110.492 110.8307 110.3699 108.2889 108.469 108.3116 111.6362 106.0585 111.542 109.057 109.3165 109.134 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 9 9 9 7 7 24 4 4 4 2 2 23 23 40 40 22 22 22 40 40 40 8 8 8 12 12 12 7 7 12 12 7 7 8 8 6 6 16 16 6 6 14 14 1 1 11 11 1 1 10 10 9 9 20 20 9 9 9 15 15 15 9 9 27 27 6 6 28 28 11 11 21 21 11 11 11 17 17 17 8 8 29 29 10 10 30 30 4 4 8 8 12 12 32 32 1 1 1 1 1 2 2 2 2 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 18 7 7 7 9 9 4 24 24 24 16 16 22 22 22 22 23 23 23 23 23 23 7 7 7 7 7 7 8 8 8 8 12 12 12 12 14 14 14 14 16 16 16 16 10 10 10 10 11 11 11 11 15 15 15 15 20 20 20 20 20 20 13 13 13 13 18 18 18 18 17 17 17 17 21 21 21 21 21 21 19 19 19 19 17 17 17 17 22 22 22 22 19 19 19 19 6 25 26 10 11 16 44 45 46 8 22 3 16 3 16 41 42 43 41 42 43 1 25 26 1 25 26 14 16 14 16 18 28 18 28 19 29 19 29 4 22 4 22 15 20 15 20 13 27 13 27 17 30 17 30 34 35 36 34 35 36 17 21 17 21 19 32 19 32 15 31 15 31 37 38 39 37 38 39 18 33 18 33 13 31 13 31 3 5 3 5 14 33 14 33 142.7536 22.0039 -96.5834 175.9778 -5.1928 177.4678 -60.4554 -179.1211 62.1716 -0.2888 179.5387 -2.5326 177.4476 -177.9625 2.0178 -119.309 120.6492 0.659 56.122 -63.9198 176.0899 -56.5471 66.1768 -176.4615 123.9831 -113.293 4.0687 -179.7785 0.4025 -0.3017 179.8793 179.1393 -1.11 -0.3387 179.4119 0.7572 -179.8037 -179.4215 0.0176 -75.3993 104.775 104.7807 -75.0451 176.8227 -3.2669 -2.0616 177.8489 -176.5975 3.3514 2.1666 -177.8845 0.5717 -179.416 -179.3384 0.6739 -63.1705 56.994 177.3167 116.7366 -123.0988 -2.7762 -0.7055 179.1037 179.3438 -0.8469 0.5277 -179.9537 -179.2221 0.2966 -0.7869 179.7614 179.4075 -0.0441 -179.6799 -59.4113 59.9656 0.1239 120.3925 -120.2306 -0.5694 179.8243 179.9917 0.3855 0.8524 -179.6943 -179.1599 0.2934 -166.6202 13.3984 13.2217 -166.7597 -0.0711 179.5331 -179.5879 0.0163 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 684 A 660 A 1040 684 2170.0407796289 46 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= 660 RedAO= T EigKep= 1.10D-06 NBF= 660 NBsUse= 655 1.00D-06 EigRej= 7.78D-07 NBFU= 655 Berny optimization. local minimum Step number 67 out of a maximum of 230 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00044 0.00111 0.00225 0.00246 0.00862 0.00972 0.01250 0.01479 0.01495 0.01612 0.01719 0.01872 0.01952 0.01960 0.02103 0.02192 0.02215 0.02230 0.02232 0.02242 0.02253 0.02257 0.02264 0.02270 0.02286 0.02307 0.02385 0.02740 0.03020 0.03581 0.04834 0.05910 0.07105 0.07140 0.07149 0.07236 0.07359 0.07577 0.07632 0.07929 0.10246 0.10780 0.11108 0.11676 0.14411 0.15035 0.15845 0.15912 0.15964 0.15973 0.15976 0.15995 0.15999 0.16001 0.16002 0.16010 0.16016 0.16030 0.16052 0.16093 0.16186 0.16239 0.16378 0.17131 0.19479 0.21972 0.22309 0.22469 0.22937 0.23357 0.23737 0.23845 0.24392 0.24548 0.24849 0.24968 0.25293 0.25620 0.26009 0.28816 0.30623 0.31295 0.31751 0.32529 0.32734 0.33664 0.34313 0.34495 0.34562 0.34564 0.34606 0.34630 0.34734 0.34854 0.34880 0.34981 0.35037 0.35193 0.35251 0.35423 0.35533 0.35594 0.35614 0.35663 0.35727 0.35753 0.36096 0.37192 0.38970 0.40236 0.40863 0.41958 0.42658 0.43038 0.43420 0.44169 0.45278 0.45711 0.46282 0.46698 0.47318 0.47702 0.47803 0.48175 0.48636 0.49825 0.54794 0.59468 0.62346 0.79936 0.91252 1.12778 -1.42791046e-05 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 A77 A78 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 2.72676 2.58933 2.61747 2.71580 2.33505 2.42069 2.53372 2.74868 1.90805 2.84520 2.66001 2.63433 2.05937 2.06549 2.63655 2.81456 2.66619 2.63254 2.62793 2.84215 2.65306 2.04536 2.63719 2.05030 2.63293 2.85134 2.63625 2.04705 2.64467 2.05185 2.86265 2.05037 2.63087 2.04925 2.04903 2.06980 2.06609 2.06324 2.06407 2.06967 2.06948 2.05785 2.06586 2.06448 2.06613 2.06013 2.06588 2.11494 1.91394 1.98463 2.13427 2.06601 2.07866 2.09444 2.11033 2.07840 1.87934 1.93338 1.90204 1.91015 1.94481 1.89447 2.09488 2.09523 2.09301 1.99591 2.17513 2.11196 2.05109 2.09493 2.13710 2.10619 2.10549 2.07150 2.10846 2.08031 2.09441 2.07045 2.08790 2.12484 2.09906 2.08664 2.09747 2.12718 2.07160 2.08440 2.19641 2.01297 2.07370 2.09910 2.09337 2.09069 2.09211 2.09258 2.09845 2.09334 2.08975 2.10008 1.93884 1.94499 1.93531 1.85843 1.88853 1.89500 1.94455 1.94001 1.93895 1.88441 1.88410 1.86882 2.15737 2.10187 2.02394 1.89165 1.93453 1.93641 1.90406 1.90441 1.89240 1.92971 1.83593 1.93048 1.92138 1.92438 1.92027 2.56201 0.47387 -1.60923 -3.07664 0.04409 3.13531 -1.06505 -3.13874 1.07167 -0.00481 3.12104 -0.00442 3.13646 -3.04620 0.09467 -3.08952 1.10461 -0.99891 -0.04842 -2.13748 2.04218 -1.10908 0.99375 3.08917 2.02655 -2.15380 -0.05839 3.12895 -0.00007 -0.00679 -3.13581 3.14073 -0.00454 -0.00677 3.13115 0.01632 -3.13227 -3.13783 -0.00323 -1.26302 1.89481 1.89113 -1.23422 3.09381 -0.03635 -0.02775 3.12527 -3.08987 0.05360 0.02955 -3.11016 0.00747 -3.12956 3.13733 0.00031 -1.08472 0.98454 3.09768 2.06889 -2.14504 -0.03190 -0.01007 3.13185 3.12969 -0.01158 0.01084 -3.14075 -3.12705 0.00454 -0.01009 3.13862 3.13117 -0.00331 3.13819 -1.04241 1.03672 -0.00307 2.09952 -2.10453 -0.01227 3.13434 3.13637 -0.00020 0.01137 -3.13733 -3.13483 -0.00034 -2.62908 0.51321 0.49795 -2.64295 -0.00127 3.13527 -3.13283 0.00371 -0.00022 -0.00014 -0.00011 0.00004 0.00026 0.00007 -0.00011 -0.00000 0.00003 -0.00007 -0.00017 -0.00003 0.00004 -0.00001 -0.00005 -0.00014 0.00011 -0.00004 0.00001 0.00004 -0.00003 0.00007 0.00005 -0.00001 0.00002 0.00000 0.00004 -0.00002 -0.00000 -0.00000 -0.00006 -0.00000 0.00006 -0.00000 -0.00000 -0.00002 0.00004 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00006 -0.00000 0.00002 -0.00001 -0.00035 0.00021 -0.00004 -0.00012 0.00007 0.00005 -0.00033 0.00026 0.00007 -0.00022 -0.00005 0.00015 0.00006 0.00010 -0.00004 0.00008 -0.00031 0.00023 0.00024 -0.00029 0.00006 -0.00006 0.00012 -0.00006 -0.00002 0.00002 0.00000 -0.00008 0.00005 0.00003 0.00000 -0.00003 0.00002 -0.00008 0.00004 0.00004 -0.00000 -0.00000 0.00001 -0.00002 0.00005 -0.00003 0.00003 -0.00001 -0.00002 0.00000 -0.00001 0.00000 0.00001 -0.00002 0.00001 0.00003 -0.00005 -0.00002 0.00002 0.00000 0.00002 0.00001 -0.00002 0.00002 -0.00000 -0.00000 -0.00000 -0.00009 0.00010 -0.00001 0.00004 -0.00006 -0.00001 0.00002 -0.00002 0.00004 -0.00003 0.00005 -0.00001 -0.00001 0.00001 -0.00001 -0.00014 -0.00006 -0.00007 0.00005 0.00002 -0.00009 -0.00000 -0.00001 -0.00002 -0.00002 0.00014 -0.00004 -0.00010 -0.00002 -0.00009 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00022 0.00007 0.00012 0.00018 0.00003 0.00008 -0.00001 0.00004 0.00003 0.00007 0.00001 0.00002 -0.00003 -0.00002 -0.00001 -0.00000 -0.00006 -0.00005 0.00003 -0.00014 0.00008 -0.00009 0.00000 0.00003 0.00004 0.00007 -0.00000 0.00001 -0.00004 -0.00003 -0.00002 -0.00000 -0.00005 -0.00003 -0.00002 -0.00000 -0.00002 0.00001 0.00003 0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00002 0.00001 0.00002 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00002 -0.00000 -0.00001 -0.00000 -0.00003 -0.00002 -0.00009 -0.00002 0.00006 0.00013 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -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 -0.00002 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00002 -0.00002 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -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 -0.00003 -0.00002 -0.00002 0.00011 0.00013 0.00003 -0.00005 -0.00006 -0.00006 -0.00000 -0.00006 -0.00007 -0.00004 0.00011 0.00014 0.00013 0.00014 0.00014 -0.00005 -0.00004 -0.00004 0.00006 0.00006 0.00005 0.00006 0.00006 0.00005 0.00001 0.00003 0.00001 0.00003 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00002 -0.00001 0.00012 0.00018 0.00014 0.00020 0.00001 -0.00002 -0.00001 -0.00005 -0.00002 -0.00000 0.00001 0.00002 0.00001 -0.00000 0.00004 0.00003 -0.00004 -0.00004 -0.00003 -0.00008 -0.00008 -0.00007 0.00001 -0.00001 -0.00001 -0.00003 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00019 -0.00019 -0.00019 -0.00020 -0.00021 -0.00021 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00013 0.00010 0.00007 0.00004 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00002 -0.00002 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00002 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -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 -0.00003 -0.00002 -0.00002 0.00011 0.00013 0.00003 -0.00005 -0.00006 -0.00006 -0.00000 -0.00006 -0.00007 -0.00004 0.00011 0.00014 0.00013 0.00014 0.00014 -0.00005 -0.00004 -0.00004 0.00006 0.00006 0.00005 0.00006 0.00006 0.00005 0.00001 0.00003 0.00001 0.00003 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00002 -0.00001 0.00012 0.00018 0.00014 0.00020 0.00001 -0.00002 -0.00001 -0.00005 -0.00002 -0.00000 0.00001 0.00002 0.00001 -0.00000 0.00004 0.00003 -0.00004 -0.00004 -0.00003 -0.00008 -0.00008 -0.00007 0.00001 -0.00001 -0.00001 -0.00003 0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00019 -0.00019 -0.00019 -0.00020 -0.00021 -0.00021 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 0.00013 0.00010 0.00007 0.00004 -0.00000 -0.00000 0.00000 0.00000 2.72677 2.58933 2.61746 2.71580 2.33505 2.42069 2.53373 2.74868 1.90805 2.84520 2.66001 2.63433 2.05937 2.06549 2.63655 2.81455 2.66619 2.63254 2.62793 2.84214 2.65306 2.04536 2.63719 2.05030 2.63293 2.85134 2.63625 2.04705 2.64467 2.05185 2.86266 2.05037 2.63087 2.04925 2.04903 2.06980 2.06609 2.06324 2.06407 2.06967 2.06948 2.05785 2.06585 2.06449 2.06613 2.06013 2.06588 2.11491 1.91394 1.98464 2.13427 2.06600 2.07866 2.09445 2.11033 2.07839 1.87935 1.93337 1.90205 1.91014 1.94480 1.89447 2.09488 2.09525 2.09299 1.99592 2.17512 2.11196 2.05109 2.09494 2.13710 2.10619 2.10549 2.07150 2.10846 2.08031 2.09441 2.07045 2.08790 2.12484 2.09906 2.08664 2.09746 2.12718 2.07159 2.08440 2.19644 2.01295 2.07370 2.09910 2.09337 2.09069 2.09211 2.09258 2.09845 2.09334 2.08975 2.10009 1.93883 1.94500 1.93531 1.85843 1.88853 1.89500 1.94455 1.94000 1.93895 1.88441 1.88410 1.86882 2.15737 2.10188 2.02394 1.89165 1.93453 1.93642 1.90406 1.90441 1.89240 1.92971 1.83593 1.93048 1.92138 1.92438 1.92027 2.56198 0.47385 -1.60925 -3.07653 0.04422 3.13535 -1.06510 -3.13880 1.07162 -0.00482 3.12098 -0.00449 3.13642 -3.04610 0.09481 -3.08938 1.10475 -0.99877 -0.04847 -2.13752 2.04214 -1.10902 0.99381 3.08922 2.02661 -2.15374 -0.05834 3.12896 -0.00004 -0.00678 -3.13578 3.14072 -0.00455 -0.00678 3.13114 0.01632 -3.13227 -3.13785 -0.00325 -1.26289 1.89500 1.89127 -1.23402 3.09382 -0.03637 -0.02777 3.12523 -3.08989 0.05360 0.02956 -3.11014 0.00748 -3.12956 3.13738 0.00034 -1.08476 0.98450 3.09764 2.06881 -2.14511 -0.03197 -0.01006 3.13184 3.12967 -0.01161 0.01085 -3.14075 -3.12704 0.00455 -0.01010 3.13862 3.13118 -0.00329 3.13800 -1.04260 1.03653 -0.00327 2.09931 -2.10474 -0.01227 3.13435 3.13636 -0.00021 0.01137 -3.13733 -3.13481 -0.00033 -2.62895 0.51330 0.49803 -2.64290 -0.00127 3.13527 -3.13282 0.00372 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000352 0.000080 0.001508 0.000309 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -7.728424e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 18 19 20 20 20 21 21 21 23 23 23 24 24 24 7 9 4 24 22 16 22 23 40 7 8 12 25 26 14 16 10 11 15 20 13 27 18 28 17 21 19 29 17 30 22 31 19 32 33 34 35 36 37 38 39 41 42 43 44 45 46 1.4429 1.3702 1.3851 1.4371 1.2357 1.281 1.3408 1.4545 1.0097 1.5056 1.4076 1.394 1.0898 1.093 1.3952 1.4894 1.4109 1.3931 1.3906 1.504 1.4039 1.0824 1.3955 1.085 1.3933 1.5089 1.395 1.0833 1.3995 1.0858 1.5149 1.085 1.3922 1.0844 1.0843 1.0953 1.0933 1.0918 1.0923 1.0952 1.0951 1.089 1.0932 1.0925 1.0933 1.0902 1.0932 -DE/DX = -0.0002|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0003|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-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 A77 A78 7 4 2 22 22 23 7 7 8 1 1 1 6 6 25 6 6 14 1 1 10 9 9 15 9 9 13 6 6 18 11 11 17 8 8 19 10 10 17 4 4 8 13 13 15 12 12 19 14 14 18 10 10 10 34 34 35 13 13 13 37 37 38 3 3 5 5 5 5 41 41 42 2 2 2 44 44 45 1 2 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 9 24 16 23 40 40 8 12 12 6 25 26 25 26 26 14 16 16 10 11 11 15 20 20 13 27 27 18 28 28 17 21 21 19 29 29 17 30 30 8 22 22 15 31 31 19 32 32 18 33 33 34 35 36 35 36 36 37 38 39 38 39 39 5 16 16 41 42 43 42 43 43 44 45 46 45 46 46 121.1769 109.6608 113.7108 122.2849 118.3737 119.0984 120.0026 120.9133 119.0833 107.6784 110.7744 108.9789 109.4433 111.4293 108.545 120.0279 120.0477 119.9205 114.3571 124.6256 121.0064 117.5186 120.0309 122.4471 120.6758 120.6358 118.6883 120.8057 119.1932 120.0008 118.6279 119.6278 121.7443 120.267 119.5558 120.176 121.8785 118.6937 119.4273 125.8453 115.3346 118.8141 120.2697 119.9414 119.7877 119.8691 119.8962 120.2322 119.9394 119.734 120.326 111.0873 111.44 110.8853 106.4799 108.205 108.5754 111.4143 111.1542 111.0935 107.9688 107.9508 107.0756 123.6082 120.4283 115.9634 108.3834 110.8405 110.9483 109.0949 109.1145 108.4265 110.5643 105.1911 110.6083 110.0869 110.2591 110.0231 -DE/DX = -0.0004|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0003|-DE/DX = 0.0003|-DE/DX = 0.0001|-DE/DX = -0.0002|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = -0.0003|-DE/DX = 0.0002|-DE/DX = 0.0002|-DE/DX = -0.0003|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-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 9 9 9 7 7 24 4 4 4 2 2 23 23 40 40 22 22 22 40 40 40 8 8 8 12 12 12 7 7 12 12 7 7 8 8 6 6 16 16 6 6 14 14 1 1 11 11 1 1 10 10 9 9 20 20 9 9 9 15 15 15 9 9 27 27 6 6 28 28 11 11 21 21 11 11 11 17 17 17 8 8 29 29 10 10 30 30 4 4 8 8 12 12 32 1 1 1 1 1 2 2 2 2 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 7 7 7 9 9 4 24 24 24 16 16 22 22 22 22 23 23 23 23 23 23 7 7 7 7 7 7 8 8 8 8 12 12 12 12 14 14 14 14 16 16 16 16 10 10 10 10 11 11 11 11 15 15 15 15 20 20 20 20 20 20 13 13 13 13 18 18 18 18 17 17 17 17 21 21 21 21 21 21 19 19 19 19 17 17 17 17 22 22 22 22 19 19 19 6 25 26 10 11 16 44 45 46 8 22 3 16 3 16 41 42 43 41 42 43 1 25 26 1 25 26 14 16 14 16 18 28 18 28 19 29 19 29 4 22 4 22 15 20 15 20 13 27 13 27 17 30 17 30 34 35 36 34 35 36 17 21 17 21 19 32 19 32 15 31 15 31 37 38 39 37 38 39 18 33 18 33 13 31 13 31 3 5 3 5 14 33 14 146.7924 27.1507 -92.2021 -176.2786 2.5262 179.6402 -61.0226 -179.8367 61.4023 -0.2758 178.8223 -0.2531 179.706 -174.5347 5.4244 -177.0162 63.2897 -57.2334 -2.7745 -122.4686 117.0083 -63.5459 56.9379 176.9962 116.1126 -123.4036 -3.3452 179.2759 -0.004 -0.3889 -179.6688 179.9505 -0.2599 -0.3879 179.4017 0.935 -179.4661 -179.7841 -0.1852 -72.3655 108.5649 108.3538 -70.7158 177.2624 -2.0826 -1.5901 179.065 -177.0363 3.0712 1.6933 -178.1992 0.428 -179.3103 179.7559 0.0176 -62.1498 56.4099 177.4838 118.5386 -122.9017 -1.8277 -0.5768 179.4419 179.3178 -0.6636 0.6213 -179.9518 -179.1665 0.2603 -0.5779 179.8297 179.403 -0.1894 179.805 -59.7257 59.3999 -0.1758 120.2936 -120.5809 -0.703 179.5847 179.7005 -0.0117 0.6513 -179.7557 -179.6123 -0.0193 -150.635 29.4046 28.5306 -151.4298 -0.0728 179.6377 -179.4978 -DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0002|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0002|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0001|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = -0.0001|-DE/DX = 0.0|-DE/DX = 0.0001|-DE/DX = 0.0001|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3 -0.0534961179 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 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.6658,.4373,1.299;-.4613,1.4195,-2.2743;-2.4209,-1.3853,.7315;-.6745,.1734,-1.8093;-.8996,-2.2455,-.7165;-.9713,2.0776,.7966;.4979,1.7719,.8463;-1.8384,1.2832,.0397;1.631,-.3751,.8087;1.7099,-1.6322,1.4319;2.4827,-.052,-.2384;-1.4866,3.1618,1.4943;3.4051,-.9815,-.7259;-3.1947,1.5804,-.0007;2.631,-2.5398,.9353;-1.3265,.1199,-.7203;3.4666,-2.233,-.1345;-2.8404,3.4649,1.4418;-3.696,2.6724,.6936;.8274,-1.9738,2.5945;4.2988,-.6099,-1.8722;-1.5992,-1.2518,-.1663;-.9696,-3.6219,-.2989;.3216,1.3739,-3.4578;.9297,1.9319,-.1424;1.009,2.4541,1.5318;2.455,.9247,-.7045;-.8212,3.7751,2.0901;-3.8633,.9612,-.5853;2.6987,-3.5179,1.3979;4.1708,-2.972,-.4973;-3.2245,4.3144,1.9916;-4.7539,2.8967,.6529;1.023,-1.3293,3.4546;-.2336,-1.873,2.3631;.9969,-3.0018,2.9129;4.9592,-1.4316,-2.1473;3.7208,-.3406,-2.7587;4.9254,.2503,-1.6289;-.2274,-2.0064,-1.4294;.007,-3.9674,.0429;-1.2899,-4.2613,-1.1225;-1.6787,-3.7341,.5158;1.297,.9165,-3.278;.4652,2.4082,-3.7638;-.1897,.8322,-4.2561; 0.000000 3.873383 0.000000 3.629386 4.554373 0.000000 3.395230 1.346993 3.454810 0.000000 3.702791 4.006413 2.269662 2.663881 0.000000 2.371276 3.181736 3.754728 3.241121 4.580883 0.000000 1.419251 3.283610 4.301314 3.313909 4.531615 1.501440 0.000000 2.927862 2.696221 2.817619 2.450550 3.728972 1.398555 2.519474 0.000000 1.353496 4.135577 4.176660 3.531302 3.496917 3.575989 2.427998 3.921463 0.000000 2.321833 5.269073 4.197052 4.410370 3.435297 4.621172 3.660652 4.798779 1.405339 0.000000 2.429796 3.870012 5.173404 3.533595 4.059541 4.187626 2.905630 4.531206 1.387904 2.425787 0.000000 3.477564 4.276531 4.704378 4.528082 5.871232 1.388412 2.507910 2.401808 4.764312 5.762264 5.393092 0.000000 3.690146 4.807467 6.019159 4.376192 4.486442 5.552427 4.301816 5.762804 2.422905 2.820204 1.397380 6.784187 0.000000 4.230811 3.558967 3.151319 3.406164 4.518633 2.413862 3.793349 1.389080 5.269400 6.035634 5.912188 2.766518 7.116701 0.000000 3.585778 5.961576 5.186189 5.081463 3.908990 5.858033 4.811407 5.949225 2.387913 1.385216 2.754833 7.055156 2.405678 7.196656 0.000000 2.854413 2.202768 2.360427 1.270355 2.403684 2.501978 2.917502 1.480860 3.365932 4.113611 3.843362 3.766045 4.858119 2.478136 5.047498 0.000000 4.126747 5.774781 6.010980 5.073933 4.404826 6.256461 5.080844 6.366889 2.776868 2.429144 2.394955 7.502713 1.385536 7.676814 1.391736 5.371521 0.000000 4.634663 4.863412 4.919885 5.108284 6.405798 2.415461 3.790104 2.780223 5.927869 6.832708 6.597476 1.388345 7.967212 2.399524 8.139386 4.260939 8.644610 0.000000 4.938431 4.565239 4.253564 4.651786 5.830522 2.790855 4.292242 2.410043 6.138230 6.949774 6.816717 2.400515 8.111298 1.387759 8.201081 3.758887 8.720822 1.385643 0.000000 2.741886 6.072898 3.790633 5.124435 3.744248 4.783448 4.146700 4.923540 2.527918 1.498977 3.802425 5.739218 4.319048 5.961989 2.515191 4.473367 3.805255 6.660376 6.757396 0.000000 4.934745 5.190259 7.248154 5.035007 5.570810 6.489929 5.245050 6.701103 3.789440 4.320308 2.505783 7.683080 1.500260 8.028244 3.793218 5.788198 2.519253 8.863130 9.015249 5.819115 0.000000 3.182871 3.588083 1.224395 2.363445 1.334097 3.522285 3.816567 2.554551 3.486153 3.694484 4.255184 4.716966 5.042784 3.254912 4.557130 1.504312 5.160086 5.135519 4.531605 3.745919 6.173234 0.000000 4.658913 5.438427 2.858395 4.095488 1.440036 5.803866 5.706025 4.992941 4.304808 3.759548 4.966506 7.035710 5.127571 5.666074 3.957084 3.782368 4.651453 7.533443 6.930884 3.783864 6.269237 2.455911 0.000000 4.860290 1.419767 5.717097 2.269526 4.701695 4.501859 4.326050 4.111753 4.793379 5.905377 4.131320 5.566806 4.745459 4.935391 6.320612 3.432518 5.826244 6.194881 5.921272 6.934901 4.718865 4.627915 6.050089 0.000000 2.093087 2.596571 4.795317 2.905908 4.596419 2.125283 1.090713 2.848974 2.592066 3.973718 2.521251 3.167015 3.867340 4.141815 4.904336 2.950889 4.876725 4.367347 4.758689 4.770277 4.561112 4.065972 5.871703 3.416557 0.000000 2.058899 4.209280 5.210175 4.381595 5.548314 2.145599 1.093804 3.421242 2.985626 4.147172 3.403767 2.594239 4.758376 4.558844 5.284481 3.996831 5.548429 3.980917 4.784113 4.557172 5.638987 4.839374 6.647080 5.151243 1.755549 0.000000 2.729919 3.348711 5.583298 3.402764 4.615583 3.914320 2.636867 4.372162 2.158301 3.414278 1.082527 5.037388 2.130001 5.731013 3.837041 3.866195 3.364409 6.253043 6.545582 4.683293 2.667996 4.632859 5.706473 3.511973 1.912298 3.070977 0.000000 3.738685 4.972489 5.570944 5.310256 6.643157 2.139404 2.701779 3.383551 4.987927 6.006577 5.566325 1.083459 6.958255 3.849926 7.289017 4.638335 7.709183 2.143311 3.380992 6.001833 7.819365 5.564743 7.774664 6.152282 3.383359 2.325162 5.164093 0.000000 4.933390 3.825802 3.052986 3.505368 4.368560 3.394147 4.661242 2.143526 5.823782 6.469614 6.435752 3.849200 7.524943 1.082683 7.533000 2.676136 8.008403 3.379942 2.142835 6.381878 8.411025 3.193602 5.427763 5.092682 4.910406 5.518186 6.319587 4.932602 0.000000 4.448159 6.917239 5.585927 5.940571 4.363168 6.718613 5.755867 6.743898 3.371063 2.129447 3.838811 7.883109 3.382670 7.917153 1.084007 5.824308 2.142132 8.913060 8.927974 2.705157 4.659403 5.104313 4.043074 7.290920 5.933127 6.207815 4.920931 8.127513 8.188746 0.000000 5.209066 6.625613 6.890419 5.923805 5.126798 7.322076 6.148150 7.382732 3.860011 3.401852 3.382729 8.578715 2.144801 8.673000 2.147076 6.311031 1.083265 9.713362 9.755194 4.661905 2.736067 6.030027 5.185082 6.516676 5.888812 6.599659 4.262686 8.782755 8.945633 2.461013 0.000000 5.535843 5.849129 5.892358 6.172207 7.468004 3.392328 4.650985 3.862481 6.853166 7.747471 7.523929 2.143855 8.909724 3.382960 9.076485 5.343214 9.599954 1.082275 2.145458 7.504804 9.786587 6.187054 8.562417 7.135567 5.242855 4.646998 7.142497 2.465061 4.276884 9.837715 10.675881 0.000000 5.986639 5.401603 4.876984 5.488229 6.570707 3.873016 5.374412 3.388184 7.176086 7.930902 7.864982 3.384375 9.138518 2.142680 9.174596 4.619941 9.721708 2.146360 1.082175 7.657864 10.031202 5.275730 7.597337 6.706567 5.819591 5.846354 7.596080 4.278294 2.464240 9.861226 10.743113 2.478065 0.000000 2.809884 6.525292 4.390835 5.731397 4.683438 4.759119 4.086174 5.164721 2.877670 2.157529 4.171413 5.505488 4.824149 6.180249 3.224596 5.005074 4.435068 6.477776 6.775450 1.092446 6.294736 4.471390 4.828652 7.455253 4.856233 4.243952 4.942591 5.596253 6.741201 3.439204 5.312655 7.213372 7.686473 0.000000 2.697943 5.691874 2.772052 4.668095 3.172761 4.313369 4.015117 4.234939 2.852414 2.168440 4.178749 5.260539 4.855608 5.126593 3.269430 3.830606 4.478748 6.011399 5.952849 1.090644 6.330548 2.940846 3.269063 6.688270 4.701927 4.578015 4.946255 5.685135 5.468126 3.497969 5.365434 6.882332 6.790282 1.751051 0.000000 3.813458 6.970068 4.364996 5.930900 4.164332 5.844082 5.225801 5.886901 3.424835 2.139524 4.565109 6.794850 4.808587 6.859759 2.606676 5.323921 3.997199 7.662081 7.690667 1.089521 6.286634 4.391372 3.816755 7.758171 5.803593 5.628002 5.534384 7.064672 7.180875 2.336224 4.658759 8.496802 8.542388 1.758279 1.758056 0.000000 5.814031 6.125947 7.921898 5.867644 6.085630 7.493470 6.255232 7.639442 4.575082 4.838306 3.417677 8.712566 2.153617 8.953584 4.018858 6.629742 2.630849 9.883908 9.991369 6.312694 1.089509 6.853450 6.585177 5.576375 5.618692 6.651209 3.728941 8.858805 9.273793 4.693661 2.390974 10.822182 10.996421 6.847314 6.892288 6.616008 0.000000 5.138382 4.563228 7.141056 4.525994 5.398837 6.364273 5.276956 6.432202 4.134625 4.824272 2.822799 7.581021 2.154683 7.689050 4.435109 5.462824 3.245336 8.670407 8.718190 6.300455 1.091963 5.987811 6.230383 3.870808 4.449664 5.794188 2.724533 7.815345 7.996154 5.330747 3.498629 9.616198 9.692339 6.845527 6.649695 6.831515 1.760037 0.000000 5.172122 5.549777 7.887664 5.603323 6.402473 6.632680 5.295698 7.042724 4.145597 4.822002 2.826925 7.703500 2.154974 8.387841 4.429902 6.318874 3.244670 8.948180 9.251458 6.290965 1.091712 6.853160 7.177291 5.079616 4.582849 5.494026 2.722502 7.699192 8.878984 5.321482 3.497538 9.800227 10.290746 6.600397 6.859949 6.829149 1.760356 1.754045 0.000000 3.770106 3.536313 3.141187 2.257417 1.008575 4.710386 4.469972 3.946535 3.335197 3.475642 3.547179 6.069892 3.839292 4.869442 3.747897 2.496410 3.920916 6.708706 6.199200 4.159982 4.757351 2.011678 2.106839 3.980204 4.301796 5.494804 4.038787 6.794498 4.768595 4.340505 4.598334 7.787005 6.990445 5.086823 3.794838 4.620133 5.267480 4.486675 5.628793 0.000000 4.627502 5.882831 3.610548 4.587127 2.088880 6.169888 5.816075 5.565450 4.016015 3.206609 4.640994 7.427147 4.588452 6.405568 3.117676 4.366577 3.874111 8.081067 7.630410 3.340440 5.775831 3.162002 1.090824 6.394003 5.973938 6.667545 5.521234 8.051314 6.298027 3.046891 4.315077 9.100949 8.375829 4.430814 3.134944 3.185823 5.979280 5.898771 6.691383 2.463364 0.000000 5.636142 5.855369 3.603893 4.529634 2.092989 6.630760 6.593396 5.691519 5.231026 4.736658 5.721231 7.873305 5.740853 6.246033 4.750958 4.399836 5.264462 8.287002 7.560736 4.851012 6.717759 3.172921 1.090764 6.309203 6.651588 7.578040 6.410437 8.667472 5.846888 4.776409 5.645541 9.326436 8.147962 5.907357 4.355397 4.806313 6.936038 6.569370 7.696807 2.511549 1.768169 0.000000 4.848841 5.985531 2.472662 4.656556 2.083644 5.861353 5.929874 5.042349 4.724672 4.091417 5.607498 6.967593 5.913028 5.550615 4.491762 4.062719 5.399133 7.350675 6.718979 3.701428 7.154995 2.575553 1.085926 6.773646 6.272243 6.822703 6.346734 7.720241 5.294407 4.470651 5.985289 8.327348 7.310489 4.660394 2.994095 3.666240 7.513697 7.168927 8.005573 2.979134 1.766253 1.764454 0.000000 4.645100 2.086194 5.932796 2.568280 4.624348 4.805835 4.287248 4.579611 4.298980 5.371240 3.403393 5.963628 3.815762 5.599712 5.610543 3.749524 4.950593 6.774166 6.617212 6.562066 3.649251 4.772043 5.882992 1.092220 3.316324 5.057823 2.822095 6.440105 5.820838 6.594884 5.577731 7.730321 7.482488 7.102636 6.476579 7.332907 4.494901 2.779396 4.040904 3.779467 6.045265 6.176410 6.698964 0.000000 5.436521 2.013535 6.551936 3.180041 5.727557 4.792680 4.653881 4.586792 5.478436 6.698460 4.748770 5.659042 5.418671 5.314135 7.159261 4.208135 6.612161 6.256322 6.103564 7.730461 5.232921 5.531601 7.101075 1.088084 3.681955 5.323627 3.939471 6.147421 5.561705 8.170011 7.303898 7.097248 6.854564 8.147704 7.506976 8.609831 6.128092 4.377820 5.395176 5.041532 7.439651 7.385007 7.787056 1.775651 0.000000 5.634377 2.084759 5.896749 2.579822 4.743885 5.262259 5.233539 4.623342 5.515823 6.483444 4.905606 6.338410 5.354856 5.262816 6.802760 3.781636 6.304878 6.813423 6.338729 7.472487 5.282918 4.801636 6.008832 1.091835 4.402782 6.129160 4.429089 7.023730 5.194874 7.696303 6.900275 7.769661 7.013721 8.099227 7.150723 8.215978 6.006954 4.348582 5.779736 4.006114 6.446382 6.080571 6.770433 1.781569 1.776187 0.000000 C19H22N2O3 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 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1055,-.141,-1.532;1.0358,2.0486,1.4523;1.1864,-2.4733,.9304;.4983,.8318,1.6643;-.6764,-1.5524,1.8433;2.1317,.5277,-1.1186;.7885,.9566,-1.6345;2.2669,.0173,.1765;-1.4068,.017,-1.1951;-2.1672,-1.1645,-1.2273;-1.9874,1.2196,-.8171;3.2604,.6431,-1.9188;-3.3252,1.2761,-.4175;3.5165,-.3713,.6423;-3.4916,-1.0883,-.8287;1.0872,-.1186,1.0612;-4.0714,.1087,-.4189;4.5104,.2664,-1.4466;4.6386,-.2424,-.1641;-1.5622,-2.4592,-1.6799;-3.9193,2.5874,.0049;.5297,-1.4992,1.2755;-1.4104,-2.7668,2.0884;.2744,3.0439,2.1197;.4478,1.8233,-1.0667;.8607,1.2686,-2.6804;-1.4216,2.1425,-.8206;3.1603,1.0288,-2.9263;3.6167,-.769,1.6443;-4.0903,-1.9919,-.8381;-5.1095,.1264,-.1096;5.3796,.364,-2.0841;5.6079,-.5455,.2097;-1.246,-2.4153,-2.7246;-.6833,-2.7404,-1.0986;-2.2855,-3.2693,-1.5925;-4.9642,2.4786,.2938;-3.3844,3.0128,.8566;-3.8738,3.325,-.7986;-1.1333,-.6785,2.0552;-2.3593,-2.7547,1.5506;-1.6213,-2.8846,3.1521;-.838,-3.6279,1.7567;-.7567,3.0705,1.7602;.7546,3.9933,1.8919;.2761,2.8922,3.2009; 0.3584898 0.1936080 0.1788425 -19.18747 -19.15620 -19.09746 -14.38224 -14.34011 -10.28189 -10.23125 -10.22704 -10.22691 -10.21510 -10.19253 -10.19247 -10.18898 -10.17842 -10.17828 -10.17613 -10.17549 -10.17463 -10.17305 -10.16609 -10.16423 -10.15908 -10.15821 -10.15371 -1.13247 -1.07800 -1.05339 -0.93829 -0.90370 -0.86969 -0.85981 -0.79683 -0.77915 -0.76644 -0.74200 -0.73408 -0.71741 -0.70032 -0.69082 -0.65117 -0.64199 -0.61413 -0.60802 -0.59055 -0.58101 -0.57735 -0.54561 -0.53790 -0.52404 -0.50346 -0.49724 -0.48605 -0.47659 -0.47466 -0.47218 -0.46137 -0.45829 -0.44723 -0.43983 -0.43400 -0.42114 -0.41903 -0.41631 -0.40822 -0.40442 -0.39823 -0.39539 -0.39469 -0.38967 -0.38056 -0.37832 -0.37446 -0.36577 -0.36325 -0.35385 -0.35141 -0.34432 -0.32530 -0.32161 -0.30195 -0.27696 -0.27468 -0.26447 -0.25955 -0.25454 -0.24394 -0.21941 -0.05375 -0.02229 -0.01703 -0.01084 0.00313 0.00384 0.01359 0.01460 0.02108 0.02809 0.03140 0.03326 0.03605 0.03754 0.04785 0.05108 0.05344 0.05684 0.05842 0.06262 0.06617 0.06712 0.07189 0.07585 0.07930 0.07983 0.08220 0.08811 0.09063 0.09913 0.10111 0.10452 0.10802 0.11127 0.11235 0.11600 0.11723 0.12082 0.12434 0.12684 0.13130 0.13410 0.13942 0.14191 0.14360 0.14492 0.14799 0.15023 0.15444 0.15790 0.16030 0.16463 0.16797 0.17009 0.17345 0.17516 0.18118 0.18382 0.18498 0.18887 0.19041 0.19358 0.19436 0.19679 0.19788 0.20565 0.20617 0.20868 0.21005 0.21290 0.21544 0.21701 0.21891 0.22169 0.22338 0.22936 0.23196 0.23263 0.23451 0.23649 0.23869 0.24283 0.24534 0.24573 0.24829 0.25039 0.25306 0.25551 0.26264 0.26561 0.26981 0.27040 0.27431 0.27858 0.28302 0.28468 0.28497 0.29289 0.29510 0.29862 0.29950 0.30373 0.30587 0.31130 0.31392 0.31829 0.32185 0.32440 0.32763 0.33059 0.33586 0.33733 0.34021 0.34343 0.34809 0.35440 0.35559 0.36093 0.36480 0.36673 0.37129 0.37480 0.37940 0.38196 0.38875 0.39409 0.39811 0.40188 0.40483 0.41138 0.41799 0.42337 0.43360 0.43729 0.44070 0.44255 0.45082 0.45733 0.46420 0.47963 0.48341 0.48927 0.49007 0.50344 0.50480 0.50843 0.51620 0.52296 0.52780 0.53420 0.53865 0.55026 0.55352 0.55740 0.56337 0.56395 0.56742 0.57277 0.57455 0.58252 0.58572 0.59465 0.60020 0.60464 0.60981 0.61816 0.62156 0.62566 0.63474 0.64232 0.64505 0.64916 0.65294 0.65538 0.65819 0.66641 0.67274 0.67641 0.67864 0.68079 0.68732 0.69957 0.70001 0.70242 0.70852 0.71298 0.71499 0.72053 0.72432 0.72680 0.72843 0.73505 0.73852 0.74155 0.74468 0.74974 0.75146 0.75972 0.76890 0.77579 0.77712 0.78072 0.78826 0.78953 0.79450 0.79578 0.80149 0.81380 0.82530 0.82941 0.83769 0.84469 0.84897 0.85695 0.86662 0.87294 0.88191 0.88517 0.89893 0.90695 0.91042 0.92233 0.92643 0.93764 0.94633 0.95354 0.95804 0.96382 0.97152 0.97573 0.98026 0.98139 1.00272 1.00693 1.01449 1.01900 1.02675 1.02975 1.03835 1.03957 1.05283 1.05670 1.06647 1.07445 1.07790 1.07957 1.09371 1.10169 1.10717 1.11558 1.11674 1.12932 1.13659 1.14205 1.15972 1.16624 1.17014 1.18960 1.19674 1.20929 1.22387 1.24027 1.24337 1.27140 1.27882 1.29992 1.31297 1.32387 1.32703 1.34261 1.35146 1.35783 1.36936 1.38257 1.38566 1.39134 1.39553 1.40923 1.41932 1.43499 1.44914 1.45476 1.46077 1.47463 1.47689 1.47983 1.48683 1.49489 1.50333 1.52056 1.53099 1.53422 1.54217 1.54785 1.54950 1.56088 1.56472 1.57120 1.58044 1.58269 1.58490 1.58651 1.59089 1.60028 1.60448 1.60742 1.60991 1.61810 1.62285 1.62699 1.63977 1.64092 1.65302 1.66029 1.67552 1.68001 1.68443 1.69066 1.69180 1.70088 1.71078 1.71374 1.72830 1.73737 1.74088 1.75161 1.75694 1.75748 1.76632 1.77428 1.78584 1.79121 1.79763 1.80628 1.81926 1.82197 1.83111 1.83854 1.85069 1.85528 1.86232 1.87258 1.88247 1.88869 1.89054 1.90256 1.90725 1.91547 1.92612 1.93254 1.94519 1.94676 1.95327 1.95917 1.96668 1.97710 1.98898 2.00149 2.00559 2.01786 2.02965 2.03385 2.03550 2.05291 2.05645 2.06226 2.07167 2.08667 2.09108 2.10438 2.12063 2.12747 2.13150 2.13525 2.14864 2.15364 2.16159 2.17131 2.18111 2.19096 2.21038 2.23151 2.23902 2.25052 2.28247 2.28708 2.30218 2.31066 2.32150 2.34360 2.35724 2.35961 2.36764 2.38563 2.40919 2.41728 2.42822 2.43654 2.43885 2.44316 2.45103 2.47038 2.47893 2.48642 2.49665 2.50570 2.51790 2.52295 2.54070 2.54442 2.55768 2.56177 2.56830 2.58084 2.59176 2.59961 2.60459 2.60555 2.61211 2.63159 2.63603 2.64063 2.65360 2.65814 2.67628 2.68846 2.69562 2.70080 2.70281 2.71011 2.71246 2.72298 2.74500 2.75200 2.76175 2.76797 2.77594 2.78437 2.79521 2.79960 2.80217 2.81363 2.81750 2.83510 2.84175 2.84846 2.85581 2.86078 2.86667 2.87998 2.88995 2.89825 2.91063 2.92191 2.92506 2.93838 2.94471 2.96178 2.97080 2.97620 2.98898 3.00948 3.01625 3.02214 3.03383 3.04020 3.05220 3.06418 3.08855 3.10137 3.11940 3.13336 3.14420 3.15633 3.17677 3.19921 3.21400 3.21854 3.22688 3.24738 3.26134 3.27570 3.30093 3.32172 3.35356 3.37558 3.39530 3.41780 3.42120 3.43462 3.46145 3.46292 3.47854 3.56056 3.58580 3.59951 3.61407 3.63056 3.64814 3.67654 3.71709 3.74124 3.78958 3.79587 3.80075 3.81193 3.81860 3.82627 3.83317 3.85148 3.85801 3.87582 3.90565 3.95694 4.02072 4.04630 4.05015 4.05325 4.08447 4.12121 4.13207 4.18340 4.19913 4.21787 4.26981 4.30801 4.32467 4.37970 4.39870 4.40910 4.71869 4.86634 4.87900 4.88364 5.04581 5.05887 5.14266 5.20826 5.30875 5.48277 5.50620 5.80069 5.88077 5.89809 23.62352 23.66001 23.89797 23.91548 23.93994 23.94902 23.96746 23.96992 23.97555 23.99991 24.00930 24.02441 24.04580 24.10503 24.11945 24.12409 24.13655 24.21431 24.21812 35.57827 35.68975 49.93115 50.00293 50.07955 1-A. -2.7224 5.2995 1.3671 6.1127 -131.6330 -137.6700 -133.8733 7.7043 -10.2447 -0.3502 2.7591 -3.2779 0.5188 7.7043 -10.2447 -0.3502 37.6730 56.2425 22.5069 -51.7641 -6.0992 7.7258 19.8143 12.3835 18.9971 -3.4157 -5167.2097 -2289.5285 -1668.3489 -30.7742 -121.2499 90.9420 73.0655 -77.7363 -11.8546 -1361.1207 -1216.9885 -621.9518 -29.3819 -17.7137 44.6171 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7044,.4677,1.2598;-.5601,1.4985,-2.3306;-2.6745,-1.5133,.4053;-.7729,.2002,-1.8975;-.7923,-2.2159,-.654;-.9663,2.0788,.7291;.5055,1.7678,.6662;-1.8854,1.2792,.024;1.6829,-.3772,.8057;1.697,-1.6412,1.4323;2.591,-.0666,-.204;-1.4403,3.1496,1.4853;3.5221,-1.0191,-.6478;-3.2507,1.5577,.094;2.6266,-2.5718,.9809;-1.4031,.1252,-.7848;3.5269,-2.2772,-.0492;-2.8049,3.4365,1.5412;-3.71,2.6394,.8457;.7201,-1.9459,2.5346;4.4865,-.6614,-1.7517;-1.6804,-1.2796,-.2903;-.9213,-3.6074,-.2507;.1574,1.4814,-3.5757;.8332,1.7724,-.3731;1.0934,2.5048,1.2193;2.5938,.9148,-.6605;-.7344,3.7612,2.0374;-3.952,.9321,-.4448;2.6465,-3.5546,1.442;4.2355,-3.0304,-.3776;-3.1575,4.2736,2.1336;-4.7724,2.852,.8886;.8708,-1.2789,3.3902;-.3122,-1.7998,2.2054;.8325,-2.9753,2.8807;5.1498,-1.4964,-1.9878;3.9538,-.3836,-2.6674;5.1087,.1945,-1.4694;.0356,-1.924,-1.1528;-.0566,-4.1545,-.6231;-1.8306,-4.0501,-.666;-.9597,-3.6968,.8374;1.1325,1.0029,-3.4505;.2866,2.5297,-3.8454;-.4214,.9652,-4.3463; 0.000000 3.943750 0.000000 4.009005 4.585586 0.000000 3.496147 1.385104 3.443166 0.000000 3.620097 4.081907 2.271257 2.717399 0.000000 2.380847 3.140654 3.990751 3.235040 4.515267 0.000000 1.442942 3.192076 4.576734 3.265662 4.392875 1.505617 0.000000 2.982115 2.710833 2.926795 2.468544 3.724238 1.407617 2.523443 0.000000 1.370212 4.287911 4.520843 3.697556 3.411498 3.613274 2.450840 4.010888 0.000000 2.337239 5.395626 4.492382 4.536467 3.298491 4.628837 3.691609 4.831755 1.410887 0.000000 2.446911 4.111210 5.494576 3.775656 4.033516 4.257646 2.910570 4.679876 1.393080 2.440542 0.000000 3.441415 4.250023 4.942927 4.537413 5.812540 1.394030 2.523242 2.415023 4.759698 5.726940 5.426733 0.000000 3.713308 5.082733 6.304844 4.636299 4.477311 5.624732 4.311921 5.913839 2.430502 2.836362 1.403941 6.823008 0.000000 4.265025 3.622377 3.140074 3.456610 4.565443 2.427662 3.805385 1.395203 5.347028 6.041883 6.070661 2.783448 7.284246 0.000000 3.607112 6.139130 5.436301 5.246525 3.806379 5.882175 4.840454 6.008622 2.395318 1.390639 2.771520 7.037673 2.421908 7.237538 0.000000 2.956287 2.233016 2.391156 1.280974 2.422994 2.509824 2.906293 1.489399 3.507920 4.200806 4.040710 3.781807 5.058196 2.497583 5.160416 0.000000 4.149071 6.013718 6.264838 5.295517 4.361816 6.306288 5.099285 6.476589 2.782350 2.438880 2.405558 7.515243 1.393288 7.788666 1.399501 5.533339 0.000000 4.605232 4.877099 5.080107 5.140733 6.388970 2.425586 3.809094 2.793130 5.935098 6.786919 6.665824 1.395541 8.042028 2.413083 8.118776 4.282512 8.675706 0.000000 4.937112 4.616558 4.302477 4.701200 5.859711 2.802853 4.308448 2.419668 6.179388 6.921272 6.937379 2.412658 8.241222 1.395043 8.205333 3.781743 8.794731 1.392196 0.000000 2.729620 6.097005 4.030451 5.145724 3.539445 4.722476 4.162722 4.846959 2.525187 1.503999 3.812029 5.633177 4.340204 5.830898 2.537750 4.451500 3.829346 6.510197 6.595732 0.000000 4.964710 5.519873 7.527245 5.331570 5.611397 6.587552 5.253142 6.893471 3.805465 4.345060 2.518371 7.754331 1.508863 8.258067 3.817878 6.020095 2.535757 8.988927 9.210043 5.848734 0.000000 3.338219 3.624342 1.235653 2.365661 1.340787 3.581597 3.870387 2.586106 3.650676 3.808614 4.441189 4.777909 5.221250 3.265521 4.672917 1.514851 5.307532 5.182674 4.557224 3.766541 6.367822 0.000000 4.640254 5.525169 2.808820 4.151168 1.454537 5.770197 5.636476 4.988359 4.281636 3.681640 4.987644 6.995786 5.157626 5.676572 3.895776 3.801302 4.647273 7.508362 6.928351 3.634974 6.338556 2.448822 0.000000 4.970863 1.437140 5.730363 2.307240 4.807107 4.489004 4.265853 4.143869 4.997862 6.099344 4.437078 5.563305 5.113291 5.008777 6.579368 3.473302 6.157663 6.227434 5.987232 7.028430 5.163331 4.668447 6.173778 0.000000 2.094077 2.418314 4.868864 2.715722 4.315970 2.132328 1.089770 2.791340 2.594668 3.957085 2.549578 3.243383 3.885555 4.116126 4.890961 2.807805 4.874441 4.435055 4.783085 4.721539 4.601142 3.954687 5.660014 3.286064 0.000000 2.074271 4.043372 5.568222 4.302200 5.417608 2.159641 1.093012 3.435727 2.970614 4.195158 3.298575 2.627984 4.669282 4.586352 5.308442 3.988932 5.513522 4.021009 4.819793 4.655965 5.510432 4.928965 6.601493 4.991589 1.771991 0.000000 2.730811 3.616228 5.898035 3.657252 4.611598 3.995013 2.617026 4.545806 2.156124 3.423074 1.082357 5.086606 2.145103 5.927971 3.853770 4.076039 3.381276 6.352392 6.706794 4.680028 2.693925 4.818826 5.742326 3.841275 1.979353 2.883281 0.000000 3.677162 4.922396 5.852184 5.307131 6.555357 2.143812 2.718656 3.396949 4.948364 5.955134 5.543797 1.084973 6.941057 3.868363 7.246988 4.651074 7.679502 2.153802 3.396025 5.910443 7.821383 5.632284 7.717962 6.123751 3.496173 2.363998 5.143713 0.000000 4.980336 3.922020 2.886987 3.571069 4.465117 3.406964 4.669292 2.147335 5.918602 6.485135 6.623182 3.866683 7.727203 1.083253 7.588647 2.695091 8.148029 3.395846 2.153788 6.244062 8.686542 3.174179 5.461685 5.195362 4.858934 5.540631 6.549366 4.951575 0.000000 4.470378 7.074598 5.792704 6.078167 4.243985 6.730222 5.789113 6.776041 3.380751 2.136061 3.857298 7.851818 3.400448 7.920265 1.085794 5.907577 2.151915 8.865864 8.895360 2.737272 4.685745 5.186477 3.949421 7.532268 5.912681 6.259274 4.939522 8.081199 8.199476 0.000000 5.233234 6.879211 7.117817 6.150736 5.100881 7.374770 6.166449 7.496604 3.867265 3.413177 3.393931 8.595257 2.151174 8.792989 2.155125 6.474391 1.085009 9.750391 9.837415 4.692003 2.750156 6.170202 5.190588 6.871329 5.885789 6.562140 4.282474 8.755437 9.096227 2.471995 0.000000 5.492020 5.863144 6.058738 6.207095 7.448370 3.404563 4.674364 3.877536 6.842662 7.683932 7.572731 2.152228 8.964611 3.397752 9.035672 5.366921 9.610343 1.084416 2.152782 7.340213 9.893420 6.236560 8.532047 7.168052 5.335246 4.694069 7.222590 2.478549 4.294735 9.769628 10.691615 0.000000 5.984844 5.471664 4.867330 5.548915 6.626071 3.887145 5.392729 3.399473 7.218405 7.895459 7.995749 3.398126 9.281373 2.149958 9.174495 4.646299 9.801397 2.153677 1.084301 7.476444 10.249052 5.293437 7.606157 6.790599 5.846386 5.885352 7.772623 4.295561 2.477339 9.817945 10.832771 2.485692 0.000000 2.759808 6.518351 4.640388 5.731397 4.472072 4.661512 4.103081 5.046898 2.855140 2.155702 4.164922 5.346096 4.837577 5.991446 3.249490 4.957031 4.458856 6.258077 6.542987 1.095291 6.316140 4.478240 4.678669 7.526723 4.844957 4.367869 4.918229 5.459685 6.546307 3.482487 5.346558 6.973906 7.427455 0.000000 2.658811 5.613905 2.983779 4.587596 2.929136 4.201277 3.970563 4.088239 2.821875 2.158587 4.151796 5.127180 4.842669 4.936186 3.275893 3.719798 4.477692 5.837257 5.753336 1.093329 6.323111 2.893323 3.109816 6.663924 4.552019 4.634400 4.901721 5.579513 5.266407 3.523626 5.372851 6.707251 6.577777 1.753411 0.000000 3.807624 7.008016 4.534714 5.957543 3.963685 5.780004 5.244766 5.800689 3.432018 2.150555 4.590009 6.680342 4.848829 6.707162 2.644024 5.295899 4.041281 7.492355 7.503346 1.091819 6.337612 4.386958 3.644321 7.874202 5.755652 5.732347 5.547530 6.967493 7.015515 2.386683 4.711731 8.308073 8.327087 1.771708 1.774249 0.000000 5.845230 6.456818 8.182176 6.161634 6.132351 7.587519 6.266465 7.825937 4.590898 4.862148 3.431346 8.779449 2.161747 9.177716 4.041856 6.856958 2.646047 10.003277 10.179912 6.346360 1.092259 7.041362 6.658293 6.026021 5.650281 6.538367 3.756165 8.858259 9.545774 4.718744 2.404547 10.921999 11.208634 6.876087 6.892621 6.673021 0.000000 5.167813 4.902161 7.392753 4.824480 5.471447 6.465807 5.256625 6.641104 4.149667 4.845889 2.833061 7.669779 2.160767 7.956054 4.456442 5.700845 3.259253 8.830950 8.956250 6.321224 1.095222 6.180435 6.324595 4.326184 4.432854 5.624171 2.750056 7.829012 8.317018 5.352728 3.511132 9.762623 9.962991 6.855704 6.629325 6.873205 1.769361 0.000000 5.188586 5.880308 8.186002 5.897233 6.426307 6.729775 5.312799 7.233567 4.152073 4.840459 2.829924 7.768767 2.159937 8.612951 4.451706 6.548111 3.260117 9.066446 9.439691 6.314517 1.095124 7.046696 7.231995 5.532478 4.687424 5.356293 2.738255 7.691630 9.148274 5.347415 3.514901 9.897009 10.500465 6.614142 6.845988 6.874422 1.769079 1.761584 0.000000 3.462402 3.668202 3.152991 2.391764 1.009698 4.535112 4.142300 3.915995 2.990254 3.085939 3.298516 5.905872 3.637164 4.947363 3.418372 2.530699 3.678547 6.637810 6.232828 3.750417 4.665124 2.025808 2.136258 4.181138 3.860946 5.134168 3.852893 6.564376 4.955759 4.026030 4.411816 7.707507 7.077757 4.663898 3.378389 4.243709 5.199520 4.474246 5.506772 0.000000 5.048776 5.926740 3.858444 4.593589 2.073786 6.442856 6.087070 5.769612 4.397222 3.690099 4.888444 7.727298 4.757975 6.583804 3.503884 4.489478 4.085969 8.358303 7.852577 3.930976 5.840853 3.318596 1.088966 6.366094 5.998539 7.004566 5.720445 8.378332 6.409376 3.454220 4.443638 9.394066 8.580013 5.023559 3.689246 3.802341 6.002862 5.872140 6.805190 2.294445 0.000000 5.526812 5.930573 2.880141 4.549711 2.107649 6.344765 6.409338 5.373980 5.291519 4.759150 5.969260 7.524357 6.151238 5.834498 4.976311 4.198749 5.676804 7.865705 7.111027 4.601906 7.250345 2.799863 1.093204 6.558589 6.409530 7.420937 6.650130 8.338200 5.419532 4.973317 6.157936 8.881535 7.662264 5.606204 3.951471 4.563557 7.549426 7.134929 8.174074 2.870514 1.777589 0.000000 4.504548 6.098156 2.809768 4.764587 2.108420 5.776575 5.660187 5.126262 4.243089 3.411364 5.183679 6.893749 5.427919 5.780216 3.761324 4.175600 4.788658 7.401568 6.907355 2.961046 6.751202 2.762989 1.092478 6.894726 5.881451 6.543753 6.011444 7.557226 5.659004 3.659344 5.376872 8.368806 7.578002 3.964017 2.426734 2.811991 7.081665 6.885024 7.568990 2.845080 1.777214 1.773023 0.000000 4.759942 2.089172 5.974323 2.585889 4.678259 4.799112 4.233873 4.610406 4.508131 5.581446 3.716359 5.965774 4.201603 5.664245 5.886288 3.782300 5.297281 6.807552 6.677226 6.684823 4.111632 4.807191 5.975983 1.093348 3.186233 4.905552 3.150727 6.419550 5.906906 6.855689 5.944673 7.764214 7.557458 7.215947 6.475442 7.483337 4.952274 3.239672 4.515389 3.879350 6.000606 6.485797 6.697082 0.000000 5.521795 2.018647 6.571438 3.216167 5.819818 4.764401 4.580788 4.610178 5.659783 6.873219 5.031059 5.637725 5.769461 5.382987 7.402340 4.243179 6.929453 6.276613 6.163748 7.805368 5.675056 5.569461 7.214296 1.090172 3.595752 5.128663 4.251439 6.096475 5.664169 8.399157 7.650794 7.116973 6.936065 8.197591 7.464298 8.708846 6.581130 4.829438 5.861019 5.210451 7.428351 7.608193 7.889990 1.789585 0.000000 5.739648 2.089613 5.813608 2.589475 4.887745 5.224607 5.160288 4.619629 5.724789 6.683846 5.224757 6.310140 5.759041 5.298323 7.083748 3.788638 6.675850 6.815504 6.369836 7.558044 5.784918 4.803669 6.158982 1.093217 4.244004 5.969981 4.762182 6.976181 5.261971 7.959001 7.307662 7.773038 7.063713 8.158323 7.112076 8.326404 6.531463 4.876477 6.281105 4.330682 6.340894 6.378338 6.992501 1.793960 1.788781 0.000000 C19H22N2O3 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 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1661,-.0059,-1.5435;1.174,2.0229,1.5615;1.3318,-2.5436,1.1747;.6195,.7714,1.7734;-.6817,-1.6114,1.6599;2.0833,.6419,-1.1087;.7089,1.1391,-1.4703;2.3006,.0138,.1322;-1.4861,.0862,-1.1878;-2.1883,-1.1366,-1.2358;-2.1165,1.2603,-.7822;3.1526,.7873,-1.9911;-3.4605,1.2483,-.3764;3.5707,-.4606,.4616;-3.5189,-1.1297,-.8315;1.1718,-.1594,1.0882;-4.154,.0401,-.3995;4.4258,.3265,-1.6532;4.6341,-.2982,-.4266;-1.4917,-2.3871,-1.6972;-4.1163,2.5317,.0704;.6118,-1.5489,1.3127;-1.3608,-2.8746,1.9025;.4868,2.9982,2.3627;.3651,1.8403,-.7102;.7101,1.648,-2.4376;-1.5801,2.2004,-.7753;2.985,1.2623,-2.952;3.7274,-.9505,1.4149;-4.0742,-2.0626,-.8499;-5.1927,.0059,-.0877;5.2473,.448,-2.3505;5.619,-.6643,-.1589;-1.1549,-2.2905,-2.735;-.5994,-2.5913,-1.0993;-2.1579,-3.2498,-1.6337;-5.1591,2.3696,.3521;-3.5962,2.9618,.933;-4.0946,3.2833,-.7257;-1.218,-.756,1.6688;-2.4083,-2.6661,2.1152;-.9194,-3.3958,2.7562;-1.2962,-3.527,1.0286;-.5701,3.0459,2.0869;.9753,3.9469,2.1393;.5905,2.765,3.4257; 0.3500120 0.1884173 0.1745966 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= 679 679 679 679 679 MxSgAt= 46 MxSgA2= 46. 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= 660 RedAO= T EigKep= 1.21D-06 NBF= 660 NBsUse= 655 1.00D-06 EigRej= 9.09D-07 NBFU= 655 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= 680 680 680 680 680 MxSgAt= 46 MxSgA2= 46. 1 -1.07107764e+00 2.08497879e+00 5.37876759e-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 46 8 8 8 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 1 1 1 1 -0.006332088 -0.001451947 0.007479439 0.001140870 0.018999704 -0.001189665 -0.010883964 -0.004168115 0.012849624 0.002515770 -0.017577368 -0.002920217 0.004387983 -0.003350109 -0.003349818 0.002437795 0.000640009 0.000838503 0.000932175 0.011208278 -0.003449034 0.000081628 0.000273223 -0.002037072 0.006184400 -0.004098278 -0.001544962 -0.001408285 -0.001941544 0.002216692 0.000754100 0.004748005 -0.003315312 0.002456874 0.003250311 0.002955176 0.000945344 0.001159511 -0.001979178 -0.003908522 -0.002228226 -0.002762020 0.000423219 -0.004248605 0.001650618 -0.004839135 -0.000438814 0.007927595 0.002859679 -0.004044754 -0.000975098 -0.001515152 0.004129140 0.002424184 -0.004822489 0.000976311 -0.000243744 -0.002508978 -0.002238508 0.002518111 0.002434046 0.000402020 -0.002947630 0.004451490 0.004752382 -0.007236880 -0.000005037 -0.007503389 0.002426420 0.007090563 0.001783528 -0.010745444 -0.000680738 -0.002275602 -0.001224720 0.000491189 -0.000890566 0.001080318 -0.001082824 0.000043436 0.000507090 0.000957210 0.000399791 0.000644544 -0.000144090 -0.001084799 -0.000441092 0.000039209 -0.001114234 0.000650167 0.000909801 -0.000753912 -0.000501109 -0.000594800 0.001186588 0.000892710 -0.001524836 0.000317159 -0.000111537 0.000387254 0.002369770 0.000749992 -0.001604795 0.001675929 -0.001932058 0.000693589 -0.001959953 0.000376278 0.001147961 -0.001665731 -0.000257619 -0.001591671 0.000654043 -0.001613314 0.001045758 0.002021863 0.000923162 0.001340561 0.001873753 -0.001297356 0.002049651 0.000020878 0.000647601 -0.000777207 -0.000944080 -0.002019249 -0.001502515 0.001280207 0.001352866 0.000448650 -0.000975738 0.002266250 -0.000665511 0.002033708 0.000553878 -0.002214134 -0.001245277 0.000162913 0.018999704 0.003880879 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1072.76287656400 -1072.76287713250 -0.000000568500 -1072.76287713460 -0.000000002099 -1072.76287713900 -0.000000004395 -1072.76287713917 -0.000000000168 -1072.76287713926 -0.000000000091 -1072.76287713927 -0.000000000015 -1072.76287714 7 1.068180691849e+03 -6.800515327018e+03 2.509604332595e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414628770 LenY= 1414160230 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) PT598648.400S Wed Oct 9 08:35:31 2024 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 O O O 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 H H H H 0.036413 0.178628 -0.417552 -0.355329 0.002554 0.733606 -0.357235 -0.163825 -0.012642 0.364260 -0.139775 -0.375057 0.310547 -0.236405 -0.196635 0.285487 -0.589347 -0.291288 -0.190567 -0.619022 -0.540458 -0.619410 -0.274492 -0.281639 0.180351 0.184975 0.145166 0.156042 0.157457 0.137094 0.139139 0.159382 0.159739 0.173495 0.171891 0.153893 0.153456 0.162066 0.169199 0.277168 0.187800 0.171267 0.179247 0.171493 0.183613 0.175251 -0.00000 -19.18307 -19.15515 -19.10188 -14.38406 -14.34450 -10.28673 -10.23452 -10.23293 -10.22776 -10.21576 -10.19753 -10.19620 -10.19263 -10.18180 -10.18160 -10.17955 -10.17888 -10.17810 -10.17622 -10.16930 -10.16726 -10.16258 -10.16049 -10.15610 -1.11077 -1.06676 -1.05048 -0.93511 -0.90103 -0.86714 -0.85741 -0.79437 -0.77784 -0.76512 -0.74008 -0.73023 -0.71665 -0.69816 -0.68806 -0.65114 -0.64170 -0.61407 -0.60722 -0.59112 -0.57833 -0.57610 -0.53709 -0.53526 -0.52024 -0.50064 -0.49498 -0.48185 -0.47403 -0.47064 -0.47012 -0.46062 -0.45699 -0.44525 -0.44063 -0.43432 -0.42014 -0.41780 -0.41619 -0.40630 -0.40349 -0.39880 -0.39580 -0.39467 -0.39202 -0.38032 -0.37537 -0.37282 -0.36584 -0.36399 -0.35396 -0.35197 -0.34437 -0.32548 -0.32149 -0.30547 -0.28107 -0.27295 -0.26773 -0.26074 -0.25662 -0.24479 -0.22057 -0.05682 -0.02495 -0.01846 -0.01268 0.00109 0.00317 0.01306 0.01420 0.02188 0.02766 0.03080 0.03400 0.03573 0.03648 0.04273 0.04725 0.05028 0.05278 0.05850 0.05911 0.06538 0.06612 0.06935 0.07475 0.07650 0.07877 0.07935 0.08838 0.08945 0.09780 0.10065 0.10468 0.10487 0.10816 0.11147 0.11439 0.11648 0.11882 0.12279 0.12538 0.12715 0.13127 0.13635 0.13957 0.14288 0.14410 0.14754 0.14995 0.15535 0.15588 0.15834 0.16195 0.16482 0.17008 0.17211 0.17443 0.17820 0.18281 0.18500 0.18542 0.18812 0.19137 0.19268 0.19501 0.19684 0.20235 0.20339 0.20691 0.20811 0.21082 0.21267 0.21644 0.21675 0.21955 0.22268 0.22343 0.22452 0.23001 0.23073 0.23519 0.23978 0.24145 0.24299 0.24425 0.24706 0.24971 0.25109 0.25473 0.25918 0.26313 0.26860 0.26997 0.27192 0.27551 0.27821 0.28028 0.28416 0.28679 0.29146 0.29368 0.29875 0.29949 0.30354 0.30450 0.30734 0.31264 0.31604 0.31893 0.32304 0.32680 0.32970 0.33252 0.33656 0.34034 0.34172 0.34775 0.35161 0.35631 0.35996 0.36042 0.36703 0.37076 0.37856 0.37980 0.38243 0.38584 0.39334 0.39721 0.40216 0.40750 0.41221 0.41624 0.42135 0.43019 0.43732 0.44286 0.44413 0.45660 0.46440 0.46855 0.47369 0.48164 0.49110 0.49583 0.50160 0.50399 0.51607 0.51981 0.52704 0.53102 0.54220 0.54618 0.54823 0.55081 0.55344 0.56038 0.56613 0.57189 0.57689 0.57885 0.58575 0.58978 0.59207 0.60417 0.60910 0.61321 0.61717 0.62117 0.62712 0.63725 0.63761 0.64485 0.64950 0.65130 0.65611 0.65874 0.66585 0.67657 0.67839 0.68839 0.69109 0.69199 0.69539 0.69760 0.70385 0.70726 0.71100 0.71501 0.71951 0.72601 0.72899 0.73083 0.73382 0.73516 0.73984 0.74878 0.75001 0.75929 0.76064 0.76411 0.76871 0.77196 0.78061 0.78749 0.78924 0.79589 0.79730 0.80842 0.81390 0.81937 0.83035 0.83748 0.84147 0.84844 0.85470 0.86362 0.87161 0.88139 0.88666 0.89822 0.90418 0.90925 0.91955 0.92968 0.93719 0.94094 0.94839 0.95606 0.96524 0.97301 0.97696 0.99092 0.99842 1.00073 1.00566 1.01349 1.02540 1.03302 1.03586 1.03790 1.04840 1.05727 1.06184 1.06376 1.07209 1.07685 1.09368 1.09994 1.10749 1.11649 1.12141 1.12869 1.13254 1.13591 1.15031 1.15548 1.17922 1.18258 1.19228 1.20257 1.22526 1.23965 1.24353 1.25932 1.26439 1.27724 1.30167 1.31578 1.32897 1.33948 1.35147 1.35404 1.36393 1.37532 1.38091 1.39077 1.39243 1.41160 1.42359 1.43166 1.44316 1.44871 1.45961 1.46912 1.47179 1.47546 1.48397 1.49679 1.50446 1.51888 1.52133 1.52836 1.53493 1.54410 1.54637 1.55977 1.56192 1.56470 1.57097 1.57464 1.57819 1.57926 1.58418 1.58608 1.59624 1.60392 1.60878 1.61274 1.62163 1.63082 1.63797 1.64613 1.64886 1.65563 1.66403 1.66946 1.67468 1.68282 1.68645 1.69775 1.70457 1.70959 1.71503 1.72376 1.73460 1.74635 1.75428 1.75714 1.76412 1.77120 1.77773 1.78374 1.79237 1.80020 1.80296 1.81579 1.81992 1.83204 1.84398 1.84961 1.85514 1.86746 1.87527 1.88058 1.89182 1.89400 1.90027 1.91492 1.91666 1.92147 1.93742 1.93833 1.94884 1.95510 1.96197 1.97920 1.98470 1.98986 1.99227 2.00255 2.00994 2.01101 2.02665 2.04752 2.04815 2.05937 2.07090 2.07545 2.09350 2.10020 2.10589 2.11509 2.11858 2.13485 2.13759 2.14914 2.15532 2.16196 2.16854 2.18169 2.19223 2.20750 2.22513 2.24899 2.26721 2.28117 2.28532 2.30556 2.30934 2.32768 2.33742 2.34750 2.35591 2.37541 2.39240 2.40038 2.41846 2.42786 2.43388 2.43683 2.44176 2.46439 2.47001 2.48067 2.50084 2.50241 2.51889 2.52587 2.53209 2.53666 2.54281 2.55779 2.57143 2.57854 2.58479 2.58829 2.59156 2.59904 2.60681 2.62193 2.62782 2.64111 2.64829 2.65810 2.66484 2.67947 2.69524 2.69839 2.70207 2.70736 2.71794 2.72011 2.74503 2.74805 2.75468 2.75868 2.76694 2.76869 2.78585 2.79532 2.79914 2.80296 2.81250 2.82882 2.83249 2.83606 2.84349 2.85336 2.85498 2.87461 2.87488 2.88565 2.89945 2.91778 2.92348 2.92987 2.94749 2.94840 2.95834 2.96417 2.96969 2.99324 3.00183 3.01536 3.02139 3.02642 3.03973 3.05772 3.07714 3.08789 3.11053 3.13029 3.13767 3.14588 3.14959 3.17084 3.19443 3.20226 3.20903 3.23229 3.24447 3.26387 3.28662 3.29715 3.32064 3.35284 3.38024 3.38417 3.39634 3.40915 3.43456 3.44733 3.46217 3.54748 3.55767 3.58431 3.60401 3.61023 3.62708 3.65052 3.69015 3.71900 3.77376 3.78178 3.79517 3.79843 3.80309 3.81665 3.82508 3.84002 3.84985 3.86987 3.89779 3.94094 4.00831 4.03035 4.04045 4.05577 4.07747 4.09614 4.11482 4.16291 4.18953 4.21626 4.24972 4.29074 4.30483 4.35466 4.39309 4.40028 4.70276 4.85397 4.86780 4.87425 4.98376 5.05571 5.14173 5.18618 5.29328 5.45866 5.47149 5.73917 5.82086 5.84310 23.62088 23.65149 23.87440 23.89267 23.92343 23.93196 23.94875 23.95242 23.96585 23.98428 23.99102 23.99690 24.02584 24.08157 24.09295 24.09905 24.11120 24.18564 24.18857 35.55908 35.64986 49.92383 49.99921 50.04363 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 46 O O O 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 H H H H -0.007008 0.123710 -0.417655 -0.304751 -0.096827 0.292779 -0.298298 0.023780 -0.110752 0.371179 -0.057213 -0.217549 0.311100 -0.177923 -0.272150 0.193850 -0.598528 -0.273750 -0.180384 -0.559550 -0.536998 -0.476512 -0.264319 -0.283474 0.174030 0.189412 0.152326 0.157836 0.161656 0.143414 0.141719 0.162227 0.162734 0.174767 0.175823 0.158327 0.154440 0.164969 0.170290 0.303921 0.177598 0.180260 0.182437 0.171595 0.183993 0.173471 -0.00000 -1.20797268e+00 2.01256851e+00 2.43409979e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.0704 5.1154 0.6187 5.9981 -131.1517 -137.3588 -137.5321 8.8756 -11.4416 1.6320 4.1958 -2.0113 -2.1846 8.8756 -11.4416 1.6320 33.9910 57.3478 19.2240 -53.1364 -6.9402 3.3631 21.3669 20.5171 14.5881 0.0437 -5288.0531 -2348.0839 -1736.3564 -43.7269 -156.5461 116.1059 89.9681 -63.7078 1.3728 -1383.8316 -1253.7748 -629.5847 -26.1373 -19.8203 56.2056 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1072.7628771 8.335E-9 6.302E-5 -8.8706262,8.7580728,0.1125534,-5.5629732,-3.1184717,2.5114444 C01 [X(C19H22N2O3)] 1.8236854 0.6324265 -1.3576033 0.000029193 0.000172333 -0.000118778 0.000037664 -0.000226744 0.000041457 -0.000199813 -0.000127598 0.000135307 0.000025857 0.000143544 -0.000043049 -0.000044774 0.000095010 0.000027204 -0.000013834 0.000007502 -0.000058557 0.000037500 -0.000196256 0.000044828 0.000055862 -0.000076620 0.000058536 -0.000056740 -0.000007130 0.000004543 0.000021269 -0.000016266 0.000039528 -0.000112268 0.000022484 -0.000017539 0.000065947 0.000018902 -0.000017119 -0.000015158 0.000004172 -0.000013055 -0.000004435 -0.000050487 -0.000033695 0.000027466 -0.000038666 -0.000009287 -0.000195502 0.000012184 0.000125008 -0.000044766 -0.000004234 0.000008761 -0.000017217 -0.000003602 0.000031256 0.000008389 0.000036839 0.000005263 -0.000033129 -0.000082207 0.000054518 0.000012742 0.000012752 0.000023006 0.000313539 0.000079649 -0.000156623 -0.000033394 -0.000004386 0.000010659 0.000026035 0.000097873 -0.000024240 0.000098447 0.000041500 -0.000011982 -0.000009812 -0.000023508 0.000033253 -0.000004756 0.000059032 -0.000044350 -0.000008927 0.000004108 0.000002485 0.000018291 0.000024102 -0.000002337 -0.000011648 -0.000001202 -0.000006004 0.000007038 0.000001824 0.000008599 0.000010572 0.000006014 -0.000000147 0.000000817 -0.000018758 0.000004314 -0.000006017 -0.000029466 -0.000011328 -0.000032963 0.000003034 -0.000048604 0.000010470 0.000001220 -0.000017985 -0.000002679 -0.000000519 -0.000012335 -0.000009229 -0.000005369 0.000003230 0.000001331 0.000000732 -0.000009522 -0.000006012 -0.000004147 -0.000064975 0.000010950 -0.000016281 0.000015813 0.000002550 0.000050897 -0.000020772 0.000020821 0.000003066 0.000052687 0.000000899 0.000009926 0.000020005 0.000015927 0.000016222 -0.000025103 0.000003493 0.000008527 0.000017126 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7044,.4677,1.2598;-.5601,1.4985,-2.3306;-2.6745,-1.5133,.4053;-.7729,.2002,-1.8975;-.7923,-2.2159,-.654;-.9663,2.0788,.7291;.5055,1.7678,.6662;-1.8854,1.2792,.024;1.6829,-.3772,.8057;1.697,-1.6412,1.4323;2.591,-.0666,-.204;-1.4403,3.1496,1.4853;3.5221,-1.0191,-.6478;-3.2507,1.5577,.094;2.6266,-2.5718,.9809;-1.4031,.1252,-.7848;3.5269,-2.2772,-.0492;-2.8049,3.4365,1.5412;-3.71,2.6394,.8457;.7201,-1.9459,2.5346;4.4865,-.6614,-1.7517;-1.6804,-1.2796,-.2903;-.9213,-3.6074,-.2507;.1574,1.4814,-3.5757;.8332,1.7724,-.3731;1.0934,2.5048,1.2193;2.5938,.9148,-.6605;-.7344,3.7612,2.0374;-3.952,.9321,-.4448;2.6465,-3.5546,1.442;4.2355,-3.0304,-.3776;-3.1575,4.2736,2.1336;-4.7724,2.852,.8886;.8708,-1.2789,3.3902;-.3122,-1.7998,2.2054;.8325,-2.9753,2.8807;5.1498,-1.4964,-1.9878;3.9538,-.3836,-2.6674;5.1087,.1945,-1.4694;.0356,-1.924,-1.1528;-.0566,-4.1545,-.6231;-1.8306,-4.0501,-.666;-.9597,-3.6968,.8374;1.1325,1.0029,-3.4505;.2866,2.5297,-3.8454;-.4214,.9652,-4.3463; Gaussian 16 GINC-HAMILTON19 APULGAR Optimization dimoxystrobin CONF25 octanol EM64L-G16RevC.01 132 C1[X(C19H22N2O3)] 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 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7044,.4677,1.2598;-.5601,1.4985,-2.3306;-2.6745,-1.5133,.4053;-.7729,.2002,-1.8975;-.7923,-2.2159,-.654;-.9663,2.0788,.7291;.5055,1.7678,.6662;-1.8854,1.2792,.024;1.6829,-.3772,.8057;1.697,-1.6412,1.4323;2.591,-.0666,-.204;-1.4403,3.1496,1.4853;3.5221,-1.0191,-.6478;-3.2507,1.5577,.094;2.6266,-2.5718,.9809;-1.4031,.1252,-.7848;3.5269,-2.2772,-.0492;-2.8049,3.4365,1.5412;-3.71,2.6394,.8457;.7201,-1.9459,2.5346;4.4865,-.6614,-1.7517;-1.6804,-1.2796,-.2903;-.9213,-3.6074,-.2507;.1574,1.4814,-3.5757;.8332,1.7724,-.3731;1.0934,2.5048,1.2193;2.5938,.9148,-.6605;-.7344,3.7612,2.0374;-3.952,.9321,-.4448;2.6465,-3.5546,1.442;4.2355,-3.0304,-.3776;-3.1575,4.2736,2.1336;-4.7724,2.852,.8886;.8708,-1.2789,3.3902;-.3122,-1.7998,2.2054;.8325,-2.9753,2.8807;5.1498,-1.4964,-1.9878;3.9538,-.3836,-2.6674;5.1087,.1945,-1.4694;.0356,-1.924,-1.1528;-.0566,-4.1545,-.6231;-1.8306,-4.0501,-.666;-.9597,-3.6968,.8374;1.1325,1.0029,-3.4505;.2866,2.5297,-3.8454;-.4214,.9652,-4.3463; Optimization dimoxystrobin CONF25 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 46 16 16 16 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 1 1 1 1 15.9949146 15.9949146 15.9949146 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 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 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 1 1 1 1 5.6000000 5.6000000 5.6000000 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 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 18 19 20 20 20 21 21 21 23 23 23 24 24 24 7 9 4 24 22 16 22 23 40 7 8 12 25 26 14 16 10 11 15 20 13 27 18 28 17 21 19 29 17 30 22 31 19 32 33 34 35 36 37 38 39 41 42 43 44 45 46 1.4429 1.3702 1.3851 1.4371 1.2357 1.281 1.3408 1.4545 1.0097 1.5056 1.4076 1.394 1.0898 1.093 1.3952 1.4894 1.4109 1.3931 1.3906 1.504 1.4039 1.0824 1.3955 1.085 1.3933 1.5089 1.395 1.0833 1.3995 1.0858 1.5149 1.085 1.3922 1.0844 1.0843 1.0953 1.0933 1.0918 1.0923 1.0952 1.0951 1.089 1.0932 1.0925 1.0933 1.0902 1.0932 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A77 A78 7 4 2 22 22 23 7 7 8 1 1 1 6 6 25 6 6 14 1 1 10 9 9 15 9 9 13 6 6 18 11 11 17 8 8 19 10 10 17 4 4 8 13 13 15 12 12 19 14 14 18 10 10 10 34 34 35 13 13 13 37 37 38 3 3 5 5 5 5 41 41 42 2 2 2 44 44 45 1 2 4 5 5 5 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 9 24 16 23 40 40 8 12 12 6 25 26 25 26 26 14 16 16 10 11 11 15 20 20 13 27 27 18 28 28 17 21 21 19 29 29 17 30 30 8 22 22 15 31 31 19 32 32 18 33 33 34 35 36 35 36 36 37 38 39 38 39 39 5 16 16 41 42 43 42 43 43 44 45 46 45 46 46 121.1769 109.6608 113.7108 122.2849 118.3737 119.0984 120.0026 120.9133 119.0833 107.6784 110.7744 108.9789 109.4433 111.4293 108.545 120.0279 120.0477 119.9205 114.3571 124.6256 121.0064 117.5186 120.0309 122.4471 120.6758 120.6358 118.6883 120.8057 119.1932 120.0008 118.6279 119.6278 121.7443 120.267 119.5558 120.176 121.8785 118.6937 119.4273 125.8453 115.3346 118.8141 120.2697 119.9414 119.7877 119.8691 119.8962 120.2322 119.9394 119.734 120.326 111.0873 111.44 110.8853 106.4799 108.205 108.5754 111.4143 111.1542 111.0935 107.9688 107.9508 107.0756 123.6082 120.4283 115.9634 108.3834 110.8405 110.9483 109.0949 109.1145 108.4265 110.5643 105.1911 110.6083 110.0869 110.2591 110.0231 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 9 9 9 7 7 24 4 4 4 2 2 23 23 40 40 22 22 22 40 40 40 8 8 8 12 12 12 7 7 12 12 7 7 8 8 6 6 16 16 6 6 14 14 1 1 11 11 1 1 10 10 9 9 20 20 9 9 9 15 15 15 9 9 27 27 6 6 28 28 11 11 21 21 11 11 11 17 17 17 8 8 29 29 10 10 30 30 4 4 8 8 12 12 32 32 1 1 1 1 1 2 2 2 2 4 4 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 6 6 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 11 11 11 11 12 12 12 12 13 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 18 7 7 7 9 9 4 24 24 24 16 16 22 22 22 22 23 23 23 23 23 23 7 7 7 7 7 7 8 8 8 8 12 12 12 12 14 14 14 14 16 16 16 16 10 10 10 10 11 11 11 11 15 15 15 15 20 20 20 20 20 20 13 13 13 13 18 18 18 18 17 17 17 17 21 21 21 21 21 21 19 19 19 19 17 17 17 17 22 22 22 22 19 19 19 19 6 25 26 10 11 16 44 45 46 8 22 3 16 3 16 41 42 43 41 42 43 1 25 26 1 25 26 14 16 14 16 18 28 18 28 19 29 19 29 4 22 4 22 15 20 15 20 13 27 13 27 17 30 17 30 34 35 36 34 35 36 17 21 17 21 19 32 19 32 15 31 15 31 37 38 39 37 38 39 18 33 18 33 13 31 13 31 3 5 3 5 14 33 14 33 146.7924 27.1507 -92.2021 -176.2786 2.5262 179.6402 -61.0226 -179.8367 61.4023 -0.2758 178.8223 -0.2531 179.706 -174.5347 5.4244 -177.0162 63.2897 -57.2334 -2.7745 -122.4686 117.0083 -63.5459 56.9379 176.9962 116.1126 -123.4036 -3.3452 179.2759 -0.004 -0.3889 -179.6688 179.9505 -0.2599 -0.3879 179.4017 0.935 -179.4661 -179.7841 -0.1852 -72.3655 108.5649 108.3538 -70.7158 177.2624 -2.0826 -1.5901 179.065 -177.0363 3.0712 1.6933 -178.1992 0.428 -179.3103 179.7559 0.0176 -62.1498 56.4099 177.4838 118.5386 -122.9017 -1.8277 -0.5768 179.4419 179.3178 -0.6636 0.6213 -179.9518 -179.1665 0.2603 -0.5779 179.8297 179.403 -0.1894 179.805 -59.7257 59.3999 -0.1758 120.2936 -120.5809 -0.703 179.5847 179.7005 -0.0117 0.6513 -179.7557 -179.6123 -0.0193 -150.635 29.4046 28.5306 -151.4298 -0.0728 179.6377 -179.4978 0.2128 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00009 0.00043 0.00202 0.00269 0.00320 0.00431 0.00475 0.00632 0.01054 0.01295 0.01592 0.01625 0.01699 0.01735 0.01781 0.01892 0.01985 0.02135 0.02181 0.02217 0.02310 0.02376 0.02447 0.02511 0.02686 0.02788 0.02853 0.02969 0.03358 0.03473 0.04978 0.05586 0.05604 0.05732 0.05790 0.05807 0.05944 0.06018 0.06564 0.08212 0.08360 0.08369 0.10040 0.10880 0.11127 0.11433 0.11590 0.11692 0.12037 0.12146 0.12162 0.12177 0.12388 0.12445 0.12824 0.13007 0.14426 0.14495 0.14609 0.15031 0.15477 0.16305 0.17346 0.17642 0.17843 0.18341 0.18453 0.18640 0.18742 0.18780 0.18989 0.19077 0.19193 0.19313 0.19369 0.20200 0.21094 0.21772 0.22643 0.22887 0.24249 0.26076 0.27606 0.28372 0.29304 0.29831 0.30330 0.31715 0.32435 0.32706 0.32870 0.32950 0.33114 0.33246 0.33287 0.33350 0.33597 0.33757 0.34097 0.34160 0.34265 0.34373 0.34663 0.34685 0.35288 0.35331 0.35454 0.35534 0.35637 0.35731 0.35836 0.35984 0.36338 0.36877 0.38263 0.39295 0.39781 0.41367 0.43114 0.45350 0.45747 0.46131 0.46194 0.46492 0.46786 0.48405 0.49415 0.50096 0.53999 0.70856 0.74522 0.95380 Angle between quadratic step and forces= 84.95 degrees. 1 2 3 0.01393849 0.00016201 0.00000003 0.00013699 0.00000043 0.00000043 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 A77 A78 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 2.72676 2.58933 2.61747 2.71580 2.33505 2.42069 2.53372 2.74868 1.90805 2.84520 2.66001 2.63433 2.05937 2.06549 2.63655 2.81456 2.66619 2.63254 2.62793 2.84215 2.65306 2.04536 2.63719 2.05030 2.63293 2.85134 2.63625 2.04705 2.64467 2.05185 2.86265 2.05037 2.63087 2.04925 2.04903 2.06980 2.06609 2.06324 2.06407 2.06967 2.06948 2.05785 2.06586 2.06448 2.06613 2.06013 2.06588 2.11494 1.91394 1.98463 2.13427 2.06601 2.07866 2.09444 2.11033 2.07840 1.87934 1.93338 1.90204 1.91015 1.94481 1.89447 2.09488 2.09523 2.09301 1.99591 2.17513 2.11196 2.05109 2.09493 2.13710 2.10619 2.10549 2.07150 2.10846 2.08031 2.09441 2.07045 2.08790 2.12484 2.09906 2.08664 2.09747 2.12718 2.07160 2.08440 2.19641 2.01297 2.07370 2.09910 2.09337 2.09069 2.09211 2.09258 2.09845 2.09334 2.08975 2.10008 1.93884 1.94499 1.93531 1.85843 1.88853 1.89500 1.94455 1.94001 1.93895 1.88441 1.88410 1.86882 2.15737 2.10187 2.02394 1.89165 1.93453 1.93641 1.90406 1.90441 1.89240 1.92971 1.83593 1.93048 1.92138 1.92438 1.92027 2.56201 0.47387 -1.60923 -3.07664 0.04409 3.13531 -1.06505 -3.13874 1.07167 -0.00481 3.12104 -0.00442 3.13646 -3.04620 0.09467 -3.08952 1.10461 -0.99891 -0.04842 -2.13748 2.04218 -1.10908 0.99375 3.08917 2.02655 -2.15380 -0.05839 3.12895 -0.00007 -0.00679 -3.13581 3.14073 -0.00454 -0.00677 3.13115 0.01632 -3.13227 -3.13783 -0.00323 -1.26302 1.89481 1.89113 -1.23422 3.09381 -0.03635 -0.02775 3.12527 -3.08987 0.05360 0.02955 -3.11016 0.00747 -3.12956 3.13733 0.00031 -1.08472 0.98454 3.09768 2.06889 -2.14504 -0.03190 -0.01007 3.13185 3.12969 -0.01158 0.01084 -3.14075 -3.12705 0.00454 -0.01009 3.13862 3.13117 -0.00331 3.13819 -1.04241 1.03672 -0.00307 2.09952 -2.10453 -0.01227 3.13434 3.13637 -0.00020 0.01137 -3.13733 -3.13483 -0.00034 -2.62908 0.51321 0.49795 -2.64295 -0.00127 3.13527 -3.13283 0.00371 -0.00022 -0.00014 -0.00011 0.00004 0.00026 0.00007 -0.00011 -0.00000 0.00003 -0.00007 -0.00017 -0.00003 0.00004 -0.00001 -0.00005 -0.00014 0.00011 -0.00004 0.00001 0.00004 -0.00003 0.00007 0.00005 -0.00001 0.00002 0.00000 0.00004 -0.00002 -0.00000 -0.00000 -0.00006 -0.00000 0.00006 -0.00000 -0.00000 -0.00002 0.00004 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00006 -0.00000 0.00002 -0.00001 -0.00035 0.00021 -0.00004 -0.00012 0.00007 0.00005 -0.00033 0.00026 0.00007 -0.00022 -0.00005 0.00015 0.00006 0.00010 -0.00004 0.00008 -0.00031 0.00023 0.00024 -0.00029 0.00006 -0.00006 0.00012 -0.00006 -0.00002 0.00002 0.00000 -0.00008 0.00005 0.00003 0.00000 -0.00003 0.00002 -0.00008 0.00004 0.00004 -0.00000 -0.00000 0.00001 -0.00002 0.00005 -0.00003 0.00003 -0.00001 -0.00002 0.00000 -0.00001 0.00000 0.00001 -0.00002 0.00001 0.00003 -0.00005 -0.00002 0.00002 0.00000 0.00002 0.00001 -0.00002 0.00002 -0.00000 -0.00000 -0.00000 -0.00009 0.00010 -0.00001 0.00004 -0.00006 -0.00001 0.00002 -0.00002 0.00004 -0.00003 0.00005 -0.00001 -0.00001 0.00001 -0.00001 -0.00014 -0.00006 -0.00007 0.00005 0.00002 -0.00009 -0.00000 -0.00001 -0.00002 -0.00002 0.00014 -0.00004 -0.00010 -0.00002 -0.00009 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00022 0.00007 0.00012 0.00018 0.00003 0.00008 -0.00001 0.00004 0.00003 0.00007 0.00001 0.00002 -0.00003 -0.00002 -0.00001 -0.00000 -0.00006 -0.00005 0.00003 -0.00014 0.00008 -0.00009 0.00000 0.00003 0.00004 0.00007 -0.00000 0.00001 -0.00004 -0.00003 -0.00002 -0.00000 -0.00005 -0.00003 -0.00002 -0.00000 -0.00002 0.00001 0.00003 0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00002 0.00001 0.00002 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00002 -0.00000 -0.00001 -0.00000 -0.00003 -0.00002 -0.00009 -0.00002 0.00006 0.00013 0.00001 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00083 -0.00008 -0.00085 0.00003 0.00052 0.00021 -0.00021 -0.00003 0.00008 0.00020 -0.00015 0.00003 0.00012 -0.00000 -0.00007 -0.00041 0.00013 -0.00005 0.00007 0.00016 -0.00005 0.00008 0.00007 -0.00001 0.00004 0.00002 0.00002 -0.00000 -0.00009 -0.00001 -0.00033 0.00001 0.00002 -0.00000 -0.00000 -0.00005 0.00002 -0.00004 0.00000 0.00023 -0.00025 0.00005 0.00004 0.00001 -0.00008 0.00002 -0.00004 0.00084 0.00089 0.00018 -0.00039 0.00015 0.00064 0.00031 -0.00026 -0.00004 0.00068 0.00102 -0.00073 -0.00023 -0.00052 -0.00021 0.00011 0.00036 -0.00046 0.00024 -0.00029 0.00004 -0.00006 0.00044 -0.00038 -0.00000 0.00016 -0.00016 -0.00003 0.00019 -0.00016 0.00001 0.00001 -0.00002 0.00001 -0.00004 0.00003 0.00001 -0.00007 0.00006 -0.00070 0.00035 0.00039 0.00003 -0.00004 0.00001 0.00005 -0.00010 0.00005 -0.00009 -0.00008 0.00017 0.00021 -0.00017 -0.00024 0.00011 -0.00004 0.00014 0.00005 -0.00078 0.00081 -0.00077 0.00066 0.00001 -0.00064 0.00051 0.00014 0.00022 0.00001 -0.00035 0.00018 -0.00021 0.00015 -0.00013 0.00018 -0.00009 0.00002 0.00001 0.00002 -0.00375 -0.00449 -0.00439 -0.00943 -0.00992 -0.00050 -0.00111 -0.00117 -0.00125 0.00031 0.00302 0.00005 -0.00101 -0.00461 -0.00567 0.00629 0.00592 0.00596 0.01095 0.01059 0.01063 0.01082 0.01233 0.01159 0.01189 0.01340 0.01266 0.00116 -0.00055 0.00011 -0.00160 -0.00096 -0.00136 0.00010 -0.00030 -0.00027 -0.00038 0.00145 0.00134 0.00132 -0.00148 -0.00040 -0.00319 0.00045 0.00076 0.00093 0.00123 -0.00043 0.00002 -0.00095 -0.00050 -0.00016 -0.00044 -0.00047 -0.00074 -0.00240 -0.00223 -0.00233 -0.00208 -0.00191 -0.00201 0.00017 -0.00254 -0.00027 -0.00298 -0.00015 -0.00012 0.00025 0.00028 0.00059 0.00095 0.00336 0.00372 -0.03197 -0.03344 -0.03340 -0.03477 -0.03624 -0.03620 0.00022 0.00051 0.00033 0.00062 -0.00060 -0.00096 -0.00032 -0.00069 -0.01332 -0.01229 -0.01082 -0.00979 -0.00001 -0.00031 -0.00004 -0.00033 -0.00083 -0.00008 -0.00085 0.00003 0.00052 0.00021 -0.00021 -0.00003 0.00008 0.00020 -0.00015 0.00003 0.00012 -0.00000 -0.00007 -0.00041 0.00013 -0.00005 0.00007 0.00016 -0.00005 0.00008 0.00007 -0.00001 0.00004 0.00002 0.00002 -0.00000 -0.00009 -0.00001 -0.00033 0.00001 0.00002 -0.00000 -0.00000 -0.00005 0.00002 -0.00004 0.00000 0.00023 -0.00025 0.00005 0.00004 0.00001 -0.00008 0.00002 -0.00004 0.00084 0.00089 0.00018 -0.00040 0.00015 0.00063 0.00031 -0.00026 -0.00004 0.00068 0.00102 -0.00073 -0.00023 -0.00052 -0.00021 0.00011 0.00036 -0.00046 0.00024 -0.00029 0.00004 -0.00006 0.00044 -0.00038 -0.00000 0.00016 -0.00016 -0.00003 0.00019 -0.00016 0.00001 0.00001 -0.00002 0.00001 -0.00004 0.00003 0.00001 -0.00007 0.00006 -0.00070 0.00034 0.00039 0.00004 -0.00004 0.00001 0.00005 -0.00010 0.00005 -0.00009 -0.00008 0.00017 0.00021 -0.00017 -0.00024 0.00011 -0.00004 0.00014 0.00005 -0.00078 0.00081 -0.00077 0.00066 0.00001 -0.00064 0.00051 0.00013 0.00022 0.00001 -0.00035 0.00018 -0.00021 0.00015 -0.00013 0.00018 -0.00009 0.00002 0.00001 0.00002 -0.00375 -0.00449 -0.00439 -0.00943 -0.00992 -0.00050 -0.00111 -0.00117 -0.00125 0.00031 0.00302 0.00005 -0.00101 -0.00461 -0.00567 0.00629 0.00592 0.00596 0.01095 0.01059 0.01063 0.01082 0.01233 0.01159 0.01189 0.01340 0.01266 0.00116 -0.00055 0.00011 -0.00160 -0.00096 -0.00136 0.00010 -0.00030 -0.00027 -0.00038 0.00145 0.00134 0.00132 -0.00148 -0.00040 -0.00319 0.00045 0.00076 0.00093 0.00123 -0.00043 0.00002 -0.00095 -0.00050 -0.00016 -0.00044 -0.00047 -0.00074 -0.00240 -0.00223 -0.00233 -0.00208 -0.00191 -0.00201 0.00017 -0.00254 -0.00027 -0.00298 -0.00015 -0.00012 0.00025 0.00028 0.00059 0.00095 0.00336 0.00372 -0.03197 -0.03344 -0.03340 -0.03477 -0.03624 -0.03620 0.00022 0.00051 0.00033 0.00062 -0.00060 -0.00096 -0.00032 -0.00069 -0.01332 -0.01229 -0.01082 -0.00979 -0.00001 -0.00031 -0.00004 -0.00033 2.72593 2.58925 2.61662 2.71583 2.33557 2.42090 2.53351 2.74864 1.90814 2.84541 2.65986 2.63436 2.05949 2.06549 2.63648 2.81414 2.66632 2.63249 2.62799 2.84230 2.65301 2.04544 2.63726 2.05029 2.63297 2.85136 2.63627 2.04705 2.64458 2.05184 2.86233 2.05038 2.63089 2.04925 2.04903 2.06975 2.06611 2.06320 2.06407 2.06990 2.06923 2.05789 2.06589 2.06449 2.06605 2.06015 2.06584 2.11578 1.91483 1.98481 2.13388 2.06616 2.07929 2.09475 2.11007 2.07835 1.88002 1.93440 1.90131 1.90992 1.94429 1.89426 2.09499 2.09559 2.09255 1.99615 2.17483 2.11200 2.05102 2.09537 2.13673 2.10619 2.10565 2.07135 2.10843 2.08050 2.09425 2.07046 2.08791 2.12482 2.09906 2.08660 2.09750 2.12719 2.07153 2.08446 2.19572 2.01331 2.07408 2.09914 2.09333 2.09070 2.09216 2.09248 2.09850 2.09325 2.08967 2.10025 1.93905 1.94482 1.93507 1.85854 1.88850 1.89514 1.94460 1.93923 1.93976 1.88365 1.88476 1.86884 2.15673 2.10238 2.02408 1.89186 1.93454 1.93607 1.90425 1.90420 1.89255 1.92958 1.83611 1.93039 1.92140 1.92439 1.92028 2.55827 0.46938 -1.61362 -3.08607 0.03417 3.13481 -1.06616 -3.13991 1.07042 -0.00450 3.12406 -0.00436 3.13545 -3.05081 0.08900 -3.08323 1.11054 -0.99295 -0.03747 -2.12689 2.05281 -1.09827 1.00608 3.10076 2.03844 -2.14040 -0.04573 3.13012 -0.00062 -0.00667 -3.13742 3.13977 -0.00590 -0.00667 3.13085 0.01605 -3.13265 -3.13638 -0.00189 -1.26170 1.89334 1.89073 -1.23742 3.09427 -0.03559 -0.02682 3.12651 -3.09030 0.05362 0.02860 -3.11066 0.00731 -3.12999 3.13687 -0.00044 -1.08711 0.98231 3.09535 2.06681 -2.14695 -0.03391 -0.00989 3.12932 3.12942 -0.01456 0.01070 -3.14087 -3.12679 0.00483 -0.00950 3.13957 3.13453 0.00042 3.10622 -1.07585 1.00332 -0.03783 2.06328 -2.14073 -0.01205 3.13486 3.13670 0.00041 0.01077 -3.13829 -3.13515 -0.00102 -2.64239 0.50092 0.48713 -2.65274 -0.00128 3.13496 -3.13287 0.00338 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000352 0.000080 0.071306 0.013947 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -5.032162e-06 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 684 A 660 A 660 1040 684 87 87 2150.0186977462 46 46 46 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 -0.0533280523 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 3.943750 0.000000 4.009005 4.585586 0.000000 3.496147 1.385104 3.443166 0.000000 3.620097 4.081907 2.271257 2.717399 0.000000 2.380847 3.140654 3.990751 3.235040 4.515267 0.000000 1.442942 3.192076 4.576734 3.265662 4.392875 1.505617 0.000000 2.982115 2.710833 2.926795 2.468544 3.724238 1.407617 2.523443 0.000000 1.370212 4.287911 4.520843 3.697556 3.411498 3.613274 2.450840 4.010888 0.000000 2.337239 5.395626 4.492382 4.536467 3.298491 4.628837 3.691609 4.831755 1.410887 0.000000 2.446911 4.111210 5.494576 3.775656 4.033516 4.257646 2.910570 4.679876 1.393080 2.440542 0.000000 3.441415 4.250023 4.942927 4.537413 5.812540 1.394030 2.523242 2.415023 4.759698 5.726940 5.426733 0.000000 3.713308 5.082733 6.304844 4.636299 4.477311 5.624732 4.311921 5.913839 2.430502 2.836362 1.403941 6.823008 0.000000 4.265025 3.622377 3.140074 3.456610 4.565443 2.427662 3.805385 1.395203 5.347028 6.041883 6.070661 2.783448 7.284246 0.000000 3.607112 6.139130 5.436301 5.246525 3.806379 5.882175 4.840454 6.008622 2.395318 1.390639 2.771520 7.037673 2.421908 7.237538 0.000000 2.956287 2.233016 2.391156 1.280974 2.422994 2.509824 2.906293 1.489399 3.507920 4.200806 4.040710 3.781807 5.058196 2.497583 5.160416 0.000000 4.149071 6.013718 6.264838 5.295517 4.361816 6.306288 5.099285 6.476589 2.782350 2.438880 2.405558 7.515243 1.393288 7.788666 1.399501 5.533339 0.000000 4.605232 4.877099 5.080107 5.140733 6.388970 2.425586 3.809094 2.793130 5.935098 6.786919 6.665824 1.395541 8.042028 2.413083 8.118776 4.282512 8.675706 0.000000 4.937112 4.616558 4.302477 4.701200 5.859711 2.802853 4.308448 2.419668 6.179388 6.921272 6.937379 2.412658 8.241222 1.395043 8.205333 3.781743 8.794731 1.392196 0.000000 2.729620 6.097005 4.030451 5.145724 3.539445 4.722476 4.162722 4.846959 2.525187 1.503999 3.812029 5.633177 4.340204 5.830898 2.537750 4.451500 3.829346 6.510197 6.595732 0.000000 4.964710 5.519873 7.527245 5.331570 5.611397 6.587552 5.253142 6.893471 3.805465 4.345060 2.518371 7.754331 1.508863 8.258067 3.817878 6.020095 2.535757 8.988927 9.210043 5.848734 0.000000 3.338219 3.624342 1.235653 2.365661 1.340787 3.581597 3.870387 2.586106 3.650676 3.808614 4.441189 4.777909 5.221250 3.265521 4.672917 1.514851 5.307532 5.182674 4.557224 3.766541 6.367822 0.000000 4.640254 5.525169 2.808820 4.151168 1.454537 5.770197 5.636476 4.988359 4.281636 3.681640 4.987644 6.995786 5.157626 5.676572 3.895776 3.801302 4.647273 7.508362 6.928351 3.634974 6.338556 2.448822 0.000000 4.970863 1.437140 5.730363 2.307240 4.807107 4.489004 4.265853 4.143869 4.997862 6.099344 4.437078 5.563305 5.113291 5.008777 6.579368 3.473302 6.157663 6.227434 5.987232 7.028430 5.163331 4.668447 6.173778 0.000000 2.094077 2.418314 4.868864 2.715722 4.315970 2.132328 1.089770 2.791340 2.594668 3.957085 2.549578 3.243383 3.885555 4.116126 4.890961 2.807805 4.874441 4.435055 4.783085 4.721539 4.601142 3.954687 5.660014 3.286064 0.000000 2.074271 4.043372 5.568222 4.302200 5.417608 2.159641 1.093012 3.435727 2.970614 4.195158 3.298575 2.627984 4.669282 4.586352 5.308442 3.988932 5.513522 4.021009 4.819793 4.655965 5.510432 4.928965 6.601493 4.991589 1.771991 0.000000 2.730811 3.616228 5.898035 3.657252 4.611598 3.995013 2.617026 4.545806 2.156124 3.423074 1.082357 5.086606 2.145103 5.927971 3.853770 4.076039 3.381276 6.352392 6.706794 4.680028 2.693925 4.818826 5.742326 3.841275 1.979353 2.883281 0.000000 3.677162 4.922396 5.852184 5.307131 6.555357 2.143812 2.718656 3.396949 4.948364 5.955134 5.543797 1.084973 6.941057 3.868363 7.246988 4.651074 7.679502 2.153802 3.396025 5.910443 7.821383 5.632284 7.717962 6.123751 3.496173 2.363998 5.143713 0.000000 4.980336 3.922020 2.886987 3.571069 4.465117 3.406964 4.669292 2.147335 5.918602 6.485135 6.623182 3.866683 7.727203 1.083253 7.588647 2.695091 8.148029 3.395846 2.153788 6.244062 8.686542 3.174179 5.461685 5.195362 4.858934 5.540631 6.549366 4.951575 0.000000 4.470378 7.074598 5.792704 6.078167 4.243985 6.730222 5.789113 6.776041 3.380751 2.136061 3.857298 7.851818 3.400448 7.920265 1.085794 5.907577 2.151915 8.865864 8.895360 2.737272 4.685745 5.186477 3.949421 7.532268 5.912681 6.259274 4.939522 8.081199 8.199476 0.000000 5.233234 6.879211 7.117817 6.150736 5.100881 7.374770 6.166449 7.496604 3.867265 3.413177 3.393931 8.595257 2.151174 8.792989 2.155125 6.474391 1.085009 9.750391 9.837415 4.692003 2.750156 6.170202 5.190588 6.871329 5.885789 6.562140 4.282474 8.755437 9.096227 2.471995 0.000000 5.492020 5.863144 6.058738 6.207095 7.448370 3.404563 4.674364 3.877536 6.842662 7.683932 7.572731 2.152228 8.964611 3.397752 9.035672 5.366921 9.610343 1.084416 2.152782 7.340213 9.893420 6.236560 8.532047 7.168052 5.335246 4.694069 7.222590 2.478549 4.294735 9.769628 10.691615 0.000000 5.984844 5.471664 4.867330 5.548915 6.626071 3.887145 5.392729 3.399473 7.218405 7.895459 7.995749 3.398126 9.281373 2.149958 9.174495 4.646299 9.801397 2.153677 1.084301 7.476444 10.249052 5.293437 7.606157 6.790599 5.846386 5.885352 7.772623 4.295561 2.477339 9.817945 10.832771 2.485692 0.000000 2.759808 6.518351 4.640388 5.731397 4.472072 4.661512 4.103081 5.046898 2.855140 2.155702 4.164922 5.346096 4.837577 5.991446 3.249490 4.957031 4.458856 6.258077 6.542987 1.095291 6.316140 4.478240 4.678669 7.526723 4.844957 4.367869 4.918229 5.459685 6.546307 3.482487 5.346558 6.973906 7.427455 0.000000 2.658811 5.613905 2.983779 4.587596 2.929136 4.201277 3.970563 4.088239 2.821875 2.158587 4.151796 5.127180 4.842669 4.936186 3.275893 3.719798 4.477692 5.837257 5.753336 1.093329 6.323111 2.893323 3.109816 6.663924 4.552019 4.634400 4.901721 5.579513 5.266407 3.523626 5.372851 6.707251 6.577777 1.753411 0.000000 3.807624 7.008016 4.534714 5.957543 3.963685 5.780004 5.244766 5.800689 3.432018 2.150555 4.590009 6.680342 4.848829 6.707162 2.644024 5.295899 4.041281 7.492355 7.503346 1.091819 6.337612 4.386958 3.644321 7.874202 5.755652 5.732347 5.547530 6.967493 7.015515 2.386683 4.711731 8.308073 8.327087 1.771708 1.774249 0.000000 5.845230 6.456818 8.182176 6.161634 6.132351 7.587519 6.266465 7.825937 4.590898 4.862148 3.431346 8.779449 2.161747 9.177716 4.041856 6.856958 2.646047 10.003277 10.179912 6.346360 1.092259 7.041362 6.658293 6.026021 5.650281 6.538367 3.756165 8.858259 9.545774 4.718744 2.404547 10.921999 11.208634 6.876087 6.892621 6.673021 0.000000 5.167813 4.902161 7.392753 4.824480 5.471447 6.465807 5.256625 6.641104 4.149667 4.845889 2.833061 7.669779 2.160767 7.956054 4.456442 5.700845 3.259253 8.830950 8.956250 6.321224 1.095222 6.180435 6.324595 4.326184 4.432854 5.624171 2.750056 7.829012 8.317018 5.352728 3.511132 9.762623 9.962991 6.855704 6.629325 6.873205 1.769361 0.000000 5.188586 5.880308 8.186002 5.897233 6.426307 6.729775 5.312799 7.233567 4.152073 4.840459 2.829924 7.768767 2.159937 8.612951 4.451706 6.548111 3.260117 9.066446 9.439691 6.314517 1.095124 7.046696 7.231995 5.532478 4.687424 5.356293 2.738255 7.691630 9.148274 5.347415 3.514901 9.897009 10.500465 6.614142 6.845988 6.874422 1.769079 1.761584 0.000000 3.462402 3.668202 3.152991 2.391764 1.009698 4.535112 4.142300 3.915995 2.990254 3.085939 3.298516 5.905872 3.637164 4.947363 3.418372 2.530699 3.678547 6.637810 6.232828 3.750417 4.665124 2.025808 2.136258 4.181138 3.860946 5.134168 3.852893 6.564376 4.955759 4.026030 4.411816 7.707507 7.077757 4.663898 3.378389 4.243709 5.199520 4.474246 5.506772 0.000000 5.048776 5.926740 3.858444 4.593589 2.073786 6.442856 6.087070 5.769612 4.397222 3.690099 4.888444 7.727298 4.757975 6.583804 3.503884 4.489478 4.085969 8.358303 7.852577 3.930976 5.840853 3.318596 1.088966 6.366094 5.998539 7.004566 5.720445 8.378332 6.409376 3.454220 4.443638 9.394066 8.580013 5.023559 3.689246 3.802341 6.002862 5.872140 6.805190 2.294445 0.000000 5.526812 5.930573 2.880141 4.549711 2.107649 6.344765 6.409338 5.373980 5.291519 4.759150 5.969260 7.524357 6.151238 5.834498 4.976311 4.198749 5.676804 7.865705 7.111027 4.601906 7.250345 2.799863 1.093204 6.558589 6.409530 7.420937 6.650130 8.338200 5.419532 4.973317 6.157936 8.881535 7.662264 5.606204 3.951471 4.563557 7.549426 7.134929 8.174074 2.870514 1.777589 0.000000 4.504548 6.098156 2.809768 4.764587 2.108420 5.776575 5.660187 5.126262 4.243089 3.411364 5.183679 6.893749 5.427919 5.780216 3.761324 4.175600 4.788658 7.401568 6.907355 2.961046 6.751202 2.762989 1.092478 6.894726 5.881451 6.543753 6.011444 7.557226 5.659004 3.659344 5.376872 8.368806 7.578002 3.964017 2.426734 2.811991 7.081665 6.885024 7.568990 2.845080 1.777214 1.773023 0.000000 4.759942 2.089172 5.974323 2.585889 4.678259 4.799112 4.233873 4.610406 4.508131 5.581446 3.716359 5.965774 4.201603 5.664245 5.886288 3.782300 5.297281 6.807552 6.677226 6.684823 4.111632 4.807191 5.975983 1.093348 3.186233 4.905552 3.150727 6.419550 5.906906 6.855689 5.944673 7.764214 7.557458 7.215947 6.475442 7.483337 4.952274 3.239672 4.515389 3.879350 6.000606 6.485797 6.697082 0.000000 5.521795 2.018647 6.571438 3.216167 5.819818 4.764401 4.580788 4.610178 5.659783 6.873219 5.031059 5.637725 5.769461 5.382987 7.402340 4.243179 6.929453 6.276613 6.163748 7.805368 5.675056 5.569461 7.214296 1.090172 3.595752 5.128663 4.251439 6.096475 5.664169 8.399157 7.650794 7.116973 6.936065 8.197591 7.464298 8.708846 6.581130 4.829438 5.861019 5.210451 7.428351 7.608193 7.889990 1.789585 0.000000 5.739648 2.089613 5.813608 2.589475 4.887745 5.224607 5.160288 4.619629 5.724789 6.683846 5.224757 6.310140 5.759041 5.298323 7.083748 3.788638 6.675850 6.815504 6.369836 7.558044 5.784918 4.803669 6.158982 1.093217 4.244004 5.969981 4.762182 6.976181 5.261971 7.959001 7.307662 7.773038 7.063713 8.158323 7.112076 8.326404 6.531463 4.876477 6.281105 4.330682 6.340894 6.378338 6.992501 1.793960 1.788781 0.000000 C19H22N2O3 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 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1661,-.0059,-1.5435;1.174,2.0229,1.5615;1.3318,-2.5436,1.1747;.6195,.7714,1.7734;-.6817,-1.6114,1.6599;2.0833,.6419,-1.1087;.7089,1.1391,-1.4703;2.3006,.0138,.1322;-1.4861,.0862,-1.1878;-2.1883,-1.1366,-1.2358;-2.1165,1.2603,-.7822;3.1526,.7873,-1.9911;-3.4605,1.2483,-.3764;3.5707,-.4606,.4616;-3.5189,-1.1297,-.8315;1.1718,-.1594,1.0882;-4.154,.0401,-.3995;4.4258,.3265,-1.6532;4.6341,-.2982,-.4266;-1.4917,-2.3871,-1.6972;-4.1163,2.5317,.0704;.6118,-1.5489,1.3127;-1.3608,-2.8746,1.9025;.4868,2.9982,2.3627;.3651,1.8403,-.7102;.7101,1.648,-2.4376;-1.5801,2.2004,-.7753;2.985,1.2623,-2.952;3.7274,-.9505,1.4149;-4.0742,-2.0626,-.8499;-5.1927,.0059,-.0877;5.2473,.448,-2.3505;5.619,-.6643,-.1589;-1.1549,-2.2905,-2.735;-.5994,-2.5913,-1.0993;-2.1579,-3.2498,-1.6337;-5.1591,2.3696,.3521;-3.5962,2.9618,.933;-4.0946,3.2833,-.7257;-1.218,-.756,1.6688;-2.4083,-2.6661,2.1152;-.9194,-3.3958,2.7562;-1.2962,-3.527,1.0286;-.5701,3.0459,2.0869;.9753,3.9469,2.1393;.5905,2.765,3.4257; 0.3500120 0.1884173 0.1745966 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= 660 RedAO= T EigKep= 1.21D-06 NBF= 660 NBsUse= 655 1.00D-06 EigRej= 9.09D-07 NBFU= 655 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= 680 680 680 680 680 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1072.76287713933 -1072.76287714 1 1.068180694435e+03 -6.800515337744e+03 2.509604340735e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414628770 LenY= 1414160230 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= 46. Will process 47 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 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. 14220 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 800000000 NMat= 138 IRICut= 345 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 4.94D-14 1.00D-09 XBig12= 3.09D+02 5.78D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 4.94D-14 1.00D-09 XBig12= 5.29D+01 1.00D+00. 138 vectors produced by pass 2 Test12= 4.94D-14 1.00D-09 XBig12= 4.37D-01 4.76D-02. 138 vectors produced by pass 3 Test12= 4.94D-14 1.00D-09 XBig12= 2.02D-03 3.12D-03. 138 vectors produced by pass 4 Test12= 4.94D-14 1.00D-09 XBig12= 4.07D-06 1.17D-04. 120 vectors produced by pass 5 Test12= 4.94D-14 1.00D-09 XBig12= 6.24D-09 4.53D-06. 41 vectors produced by pass 6 Test12= 4.94D-14 1.00D-09 XBig12= 9.46D-12 3.10D-07. 3 vectors produced by pass 7 Test12= 4.94D-14 1.00D-09 XBig12= 1.56D-14 1.73D-08. InvSVY: IOpt=1 It= 1 EMax= 1.09D-14 Solved reduced A of dimension 854 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 346.94 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 404.878 -15.987 350.834 -40.778 3.817 285.094 430.556 -24.228 390.529 -45.332 3.254 320.665 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT109457.100S Wed Oct 9 16:26:24 2024 -19.18307 -19.15515 -19.10188 -14.38406 -14.34450 -10.28673 -10.23452 -10.23293 -10.22776 -10.21576 -10.19753 -10.19620 -10.19263 -10.18180 -10.18160 -10.17955 -10.17888 -10.17810 -10.17622 -10.16930 -10.16726 -10.16258 -10.16049 -10.15610 -1.11077 -1.06676 -1.05048 -0.93511 -0.90103 -0.86714 -0.85741 -0.79437 -0.77784 -0.76512 -0.74008 -0.73023 -0.71665 -0.69816 -0.68806 -0.65114 -0.64170 -0.61407 -0.60722 -0.59112 -0.57833 -0.57610 -0.53709 -0.53526 -0.52024 -0.50064 -0.49498 -0.48185 -0.47403 -0.47064 -0.47012 -0.46062 -0.45699 -0.44525 -0.44063 -0.43432 -0.42014 -0.41780 -0.41619 -0.40630 -0.40349 -0.39880 -0.39580 -0.39467 -0.39202 -0.38032 -0.37537 -0.37282 -0.36584 -0.36399 -0.35396 -0.35197 -0.34437 -0.32548 -0.32149 -0.30547 -0.28107 -0.27295 -0.26773 -0.26074 -0.25662 -0.24479 -0.22057 -0.05682 -0.02495 -0.01846 -0.01268 0.00109 0.00317 0.01306 0.01420 0.02188 0.02766 0.03080 0.03400 0.03573 0.03648 0.04273 0.04725 0.05028 0.05278 0.05850 0.05911 0.06538 0.06612 0.06935 0.07475 0.07650 0.07877 0.07935 0.08838 0.08945 0.09780 0.10065 0.10468 0.10487 0.10816 0.11147 0.11439 0.11648 0.11882 0.12279 0.12538 0.12715 0.13127 0.13635 0.13957 0.14288 0.14410 0.14754 0.14995 0.15535 0.15588 0.15834 0.16195 0.16482 0.17008 0.17211 0.17443 0.17820 0.18281 0.18500 0.18542 0.18812 0.19137 0.19268 0.19501 0.19684 0.20235 0.20339 0.20691 0.20811 0.21082 0.21267 0.21644 0.21675 0.21955 0.22268 0.22343 0.22452 0.23001 0.23073 0.23519 0.23978 0.24145 0.24299 0.24425 0.24706 0.24971 0.25109 0.25473 0.25918 0.26313 0.26860 0.26997 0.27192 0.27551 0.27821 0.28028 0.28416 0.28679 0.29146 0.29368 0.29875 0.29949 0.30354 0.30450 0.30734 0.31264 0.31604 0.31893 0.32304 0.32680 0.32970 0.33252 0.33656 0.34034 0.34172 0.34775 0.35161 0.35631 0.35996 0.36042 0.36703 0.37076 0.37856 0.37980 0.38243 0.38584 0.39334 0.39721 0.40216 0.40750 0.41221 0.41624 0.42135 0.43019 0.43732 0.44286 0.44413 0.45660 0.46440 0.46855 0.47369 0.48164 0.49110 0.49583 0.50160 0.50399 0.51607 0.51981 0.52704 0.53102 0.54220 0.54618 0.54823 0.55081 0.55344 0.56038 0.56613 0.57189 0.57689 0.57885 0.58575 0.58978 0.59207 0.60417 0.60910 0.61321 0.61717 0.62117 0.62712 0.63725 0.63761 0.64485 0.64950 0.65130 0.65611 0.65874 0.66585 0.67657 0.67839 0.68839 0.69109 0.69199 0.69539 0.69760 0.70385 0.70726 0.71100 0.71501 0.71951 0.72601 0.72899 0.73083 0.73382 0.73516 0.73984 0.74878 0.75001 0.75929 0.76064 0.76411 0.76871 0.77196 0.78061 0.78749 0.78924 0.79589 0.79730 0.80842 0.81390 0.81937 0.83035 0.83748 0.84147 0.84844 0.85470 0.86362 0.87161 0.88139 0.88666 0.89822 0.90418 0.90925 0.91955 0.92968 0.93719 0.94094 0.94839 0.95606 0.96524 0.97301 0.97696 0.99092 0.99842 1.00073 1.00566 1.01349 1.02540 1.03302 1.03586 1.03790 1.04840 1.05727 1.06184 1.06376 1.07209 1.07685 1.09368 1.09994 1.10749 1.11649 1.12141 1.12869 1.13254 1.13591 1.15031 1.15548 1.17922 1.18258 1.19228 1.20257 1.22526 1.23965 1.24353 1.25932 1.26439 1.27724 1.30167 1.31578 1.32897 1.33948 1.35147 1.35404 1.36393 1.37532 1.38091 1.39077 1.39243 1.41160 1.42359 1.43166 1.44316 1.44871 1.45961 1.46912 1.47179 1.47546 1.48397 1.49679 1.50446 1.51888 1.52133 1.52836 1.53493 1.54410 1.54637 1.55977 1.56192 1.56470 1.57097 1.57464 1.57819 1.57926 1.58418 1.58608 1.59624 1.60392 1.60878 1.61274 1.62163 1.63082 1.63797 1.64613 1.64886 1.65563 1.66403 1.66946 1.67468 1.68282 1.68645 1.69775 1.70457 1.70959 1.71503 1.72376 1.73460 1.74635 1.75428 1.75714 1.76412 1.77120 1.77773 1.78374 1.79237 1.80020 1.80296 1.81579 1.81992 1.83204 1.84398 1.84961 1.85514 1.86746 1.87527 1.88058 1.89182 1.89400 1.90027 1.91492 1.91666 1.92147 1.93742 1.93833 1.94884 1.95510 1.96197 1.97920 1.98470 1.98986 1.99227 2.00255 2.00994 2.01101 2.02665 2.04752 2.04815 2.05937 2.07090 2.07545 2.09350 2.10020 2.10589 2.11509 2.11858 2.13485 2.13759 2.14914 2.15532 2.16196 2.16854 2.18169 2.19223 2.20750 2.22513 2.24899 2.26721 2.28117 2.28532 2.30556 2.30934 2.32768 2.33742 2.34750 2.35591 2.37541 2.39240 2.40038 2.41846 2.42786 2.43388 2.43683 2.44176 2.46439 2.47001 2.48067 2.50084 2.50241 2.51889 2.52587 2.53209 2.53666 2.54281 2.55779 2.57143 2.57854 2.58479 2.58829 2.59156 2.59904 2.60681 2.62193 2.62782 2.64111 2.64829 2.65810 2.66484 2.67947 2.69524 2.69839 2.70207 2.70736 2.71794 2.72011 2.74503 2.74805 2.75468 2.75868 2.76694 2.76869 2.78585 2.79532 2.79914 2.80296 2.81250 2.82882 2.83249 2.83606 2.84349 2.85336 2.85498 2.87461 2.87488 2.88565 2.89945 2.91778 2.92348 2.92987 2.94749 2.94840 2.95834 2.96417 2.96969 2.99324 3.00183 3.01536 3.02139 3.02642 3.03973 3.05772 3.07714 3.08789 3.11053 3.13029 3.13767 3.14588 3.14959 3.17084 3.19443 3.20226 3.20903 3.23229 3.24447 3.26387 3.28662 3.29715 3.32064 3.35284 3.38024 3.38417 3.39634 3.40915 3.43456 3.44733 3.46217 3.54748 3.55767 3.58431 3.60401 3.61023 3.62708 3.65052 3.69015 3.71900 3.77376 3.78178 3.79517 3.79843 3.80309 3.81665 3.82508 3.84002 3.84985 3.86987 3.89779 3.94094 4.00831 4.03035 4.04045 4.05577 4.07747 4.09614 4.11482 4.16291 4.18953 4.21626 4.24972 4.29074 4.30483 4.35466 4.39309 4.40028 4.70276 4.85397 4.86780 4.87425 4.98376 5.05571 5.14173 5.18618 5.29328 5.45866 5.47149 5.73917 5.82086 5.84310 23.62088 23.65149 23.87440 23.89267 23.92343 23.93196 23.94875 23.95242 23.96585 23.98428 23.99102 23.99690 24.02584 24.08157 24.09295 24.09905 24.11120 24.18564 24.18857 35.55908 35.64986 49.92383 49.99921 50.04363 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 46 O O O 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 H H H H -0.007008 0.123710 -0.417655 -0.304752 -0.096827 0.292779 -0.298298 0.023780 -0.110752 0.371179 -0.057213 -0.217549 0.311100 -0.177923 -0.272150 0.193851 -0.598528 -0.273750 -0.180384 -0.559550 -0.536998 -0.476512 -0.264319 -0.283474 0.174030 0.189412 0.152326 0.157836 0.161656 0.143414 0.141719 0.162227 0.162734 0.174767 0.175823 0.158327 0.154440 0.164969 0.170290 0.303920 0.177598 0.180260 0.182437 0.171595 0.183993 0.173471 -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 O O O N N C C C C C C C C C C C C C C C C C C C -0.007008 0.123710 -0.417655 -0.304752 0.207093 0.292779 0.065144 0.023780 -0.110752 0.371179 0.095113 -0.059713 0.311100 -0.016267 -0.128736 0.193851 -0.456808 -0.111523 -0.017650 -0.050634 -0.047299 -0.476512 0.275975 0.245585 -0.00000 -1.20797357e+00 2.01256803e+00 2.43410149e-01 4.04878472e+02 -1.59872060e+01 3.50833701e+02 -4.07778495e+01 3.81724716e+00 2.85094127e+02 -15.4105 -10.9836 -4.0028 -0.0009 -0.0006 -0.0002 20.9417 26.0334 36.3202 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 20.5163 25.6467 36.0819 41.0387 49.8483 69.1915 76.3471 80.8887 97.3586 109.7802 112.1494 140.4172 142.8588 154.1250 180.3658 189.1642 200.1030 205.5426 231.0895 244.9724 283.4796 305.2195 315.8045 325.7695 329.8857 345.1367 373.9998 394.4114 419.5760 454.7531 463.1176 471.0778 485.0606 520.3403 538.5312 560.0929 596.0341 601.9328 629.9722 652.7026 721.9025 729.6274 735.1232 762.6566 767.5069 780.9190 791.3904 809.2362 816.9375 862.5684 868.2745 897.7385 929.5005 936.6349 954.9351 970.7699 992.6008 1001.5157 1009.5333 1017.1455 1025.6678 1036.5503 1044.1979 1057.6019 1062.6234 1064.1793 1106.8336 1145.8965 1148.3601 1152.6466 1170.9848 1172.1941 1185.0553 1189.4000 1213.9322 1221.0607 1229.8172 1241.8052 1255.7323 1272.6666 1306.3548 1310.0012 1316.7068 1335.5166 1342.7757 1406.5655 1409.4819 1415.8214 1433.4613 1452.5520 1463.8065 1468.1828 1471.1657 1472.0394 1472.5451 1474.7521 1476.4506 1487.9820 1489.9736 1496.7645 1511.6635 1514.4050 1528.4501 1555.3265 1610.8546 1613.1065 1639.5685 1643.6511 1654.1632 1675.5388 3018.0938 3023.4956 3028.1165 3037.9860 3054.0621 3066.5607 3073.9804 3093.2974 3098.9758 3103.3662 3106.4078 3113.0508 3140.8180 3143.0319 3153.2357 3165.1053 3170.8551 3174.2967 3185.9961 3191.9870 3196.0126 3616.1841 4.4905 2.6250 1.8714 3.7109 2.7600 3.0255 4.4421 1.7602 1.9910 3.5593 2.8749 2.3700 2.9909 2.0352 1.6637 3.7229 1.8045 2.5534 3.6936 4.1397 3.6013 3.7115 4.9897 3.4589 3.3982 4.1530 4.5450 2.7579 8.8028 2.7682 4.8233 3.3746 1.2108 3.7068 4.5822 5.0223 5.2486 3.7639 5.8225 6.7234 5.2447 3.1644 3.3628 4.0939 1.8498 4.4693 4.6722 3.9776 1.2530 2.5669 1.6732 1.6123 4.4545 3.2184 1.3239 1.5341 4.3427 2.0230 1.3239 2.0645 2.3210 1.5232 6.5358 1.5071 1.5108 2.3030 3.8320 1.8323 1.3472 1.9826 1.8790 1.2812 1.1069 1.6813 1.6350 2.0254 2.5469 1.6493 2.3938 2.3804 1.7910 1.5985 2.9153 2.5461 4.2618 1.2839 1.2907 1.2685 2.5016 1.2089 1.1409 1.0440 1.0455 1.0425 1.0449 1.8598 1.2005 1.0534 1.1584 1.0817 1.3042 1.9977 2.8604 2.0656 6.0627 5.4927 6.0130 6.4826 9.3455 10.6170 1.0375 1.0391 1.0301 1.0353 1.0616 1.1008 1.0964 1.1041 1.1012 1.1086 1.1029 1.1032 1.1047 1.1027 1.0878 1.0874 1.0944 1.0902 1.0944 1.0898 1.0967 1.0788 0.0011 0.0010 0.0014 0.0037 0.0040 0.0085 0.0153 0.0068 0.0111 0.0253 0.0213 0.0275 0.0360 0.0285 0.0319 0.0785 0.0426 0.0636 0.1162 0.1464 0.1705 0.2037 0.2932 0.2163 0.2179 0.2915 0.3746 0.2528 0.9130 0.3373 0.6095 0.4412 0.1678 0.5913 0.7830 0.9283 1.0986 0.8035 1.3615 1.6876 1.6104 0.9925 1.0707 1.4030 0.6420 1.6058 1.7241 1.5347 0.4927 1.1252 0.7432 0.7656 2.2675 1.6635 0.7113 0.8518 2.5209 1.1955 0.7949 1.2584 1.4386 0.9642 4.1987 0.9932 1.0051 1.5366 2.7659 1.4176 1.0467 1.5519 1.5180 1.0372 0.9159 1.4014 1.4195 1.7793 2.2696 1.4985 2.2240 2.2716 1.8009 1.6163 2.9779 2.6757 4.5274 1.4965 1.5108 1.4982 3.0286 1.5028 1.4404 1.3259 1.3333 1.3310 1.3349 2.3832 1.5419 1.3741 1.5152 1.4277 1.7559 2.6994 3.9372 2.9441 9.2689 8.4210 9.5235 10.3186 15.0664 17.5614 5.5682 5.5968 5.5653 5.6296 5.8342 6.0991 6.1042 6.2243 6.2309 6.2904 6.2702 6.2990 6.4207 6.4178 6.3728 6.4182 6.4831 6.4724 6.5448 6.5419 6.6001 8.3114 1.3347 0.1757 3.7278 10.6767 3.7904 0.1443 5.2603 0.8969 4.5171 3.0728 8.1791 0.4398 4.1488 3.1480 0.6243 3.8652 8.3486 10.7495 5.5109 5.3134 5.4491 2.1477 13.7605 3.4871 0.3254 2.7736 38.3335 2.8656 2.8972 5.3912 0.4475 14.7486 157.4798 7.2863 5.1022 3.9802 0.5552 11.8220 15.4070 17.9638 4.4873 0.2602 20.6132 2.1950 87.3829 2.9385 74.6349 11.2004 61.0893 19.4112 17.0897 3.1472 17.3568 16.8133 1.2169 21.8495 185.4824 33.7357 1.0480 26.5783 133.7053 20.6913 256.5540 2.0129 11.4957 12.7017 56.3331 29.8928 11.2000 170.4547 36.1928 4.5586 0.3864 4.8947 7.7749 8.4903 9.3391 8.2339 197.0401 163.8834 6.3942 18.1926 46.9104 4.3903 34.0065 33.3529 15.8954 1.6140 62.1949 44.4798 1.2361 13.5501 19.8349 8.0347 13.2144 11.5094 7.2783 29.1460 48.1644 12.8892 19.9059 3.4648 106.5382 353.7453 0.1532 57.4478 17.5492 95.7865 384.7832 241.5677 43.6078 39.5980 84.5900 45.2989 50.6884 26.5802 27.9482 26.2461 33.6902 37.3660 28.9857 10.1272 14.7224 14.8783 15.1143 1.8324 29.8801 10.2945 21.3249 9.2209 11.1809 106.4236 -0.02 -0.02 0.05 -0.08 -0.04 -0.01 0.14 -0.04 0.05 -0.02 -0.07 -0.01 0.08 -0.13 -0.01 -0.00 -0.01 -0.00 -0.01 -0.02 0.01 0.01 -0.01 -0.00 -0.02 0.03 0.03 -0.05 0.04 0.07 -0.01 0.06 -0.05 -0.01 0.02 -0.01 -0.02 0.11 -0.08 0.03 0.02 -0.01 -0.06 0.09 0.04 0.02 -0.05 -0.00 -0.04 0.13 -0.03 0.00 0.04 -0.01 0.02 0.05 -0.01 -0.08 0.00 0.12 0.00 0.15 -0.16 0.09 -0.07 0.02 0.15 -0.16 0.02 -0.13 -0.07 -0.02 0.01 -0.00 -0.00 -0.03 -0.05 -0.01 0.01 0.05 -0.09 -0.02 0.01 -0.00 0.04 0.02 -0.01 -0.08 0.10 0.07 -0.05 0.17 -0.06 -0.00 0.06 -0.01 0.03 0.07 -0.01 -0.11 -0.06 0.11 -0.07 0.02 0.11 -0.09 0.02 0.18 -0.02 0.20 -0.24 -0.04 0.15 -0.13 0.10 0.13 -0.18 0.04 -0.15 -0.02 0.11 -0.21 -0.09 0.10 -0.07 0.10 0.28 -0.21 0.07 -0.13 -0.12 -0.04 -0.18 -0.05 -0.02 -0.14 -0.06 -0.02 0.01 -0.01 -0.04 -0.10 0.01 -0.08 -0.00 0.00 -0.02 -0.07 0.01 -0.07 -0.01 -0.02 -0.01 0.02 -0.02 -0.02 0.03 -0.02 -0.07 -0.01 0.00 -0.01 0.02 0.00 -0.00 0.01 0.01 0.01 0.04 0.00 0.02 0.04 -0.03 0.01 0.06 0.01 0.07 -0.02 0.02 0.04 0.02 0.02 0.05 -0.04 0.00 -0.03 0.05 0.02 0.08 0.04 -0.01 0.05 0.01 0.02 0.07 -0.01 0.00 -0.02 0.10 0.00 0.15 -0.02 -0.00 -0.02 0.00 -0.03 -0.02 -0.13 0.01 -0.10 0.03 0.01 -0.10 0.05 -0.06 -0.09 0.05 -0.00 0.01 0.07 -0.04 -0.01 -0.04 0.04 0.05 0.01 0.02 0.06 0.05 0.02 0.11 0.06 -0.01 0.07 0.00 0.03 0.10 -0.03 0.01 -0.02 -0.00 -0.01 -0.04 -0.02 0.01 -0.01 -0.01 0.08 -0.20 -0.11 -0.28 0.42 0.46 0.19 0.34 -0.03 -0.03 -0.03 0.01 -0.04 0.03 0.04 -0.04 -0.04 -0.02 -0.01 -0.03 -0.13 -0.02 -0.11 -0.15 0.02 -0.12 -0.13 0.04 -0.10 -0.01 -0.01 0.04 0.04 0.01 0.02 0.05 0.02 0.13 0.03 0.01 0.03 0.01 0.01 -0.03 -0.01 -0.00 0.01 -0.02 -0.00 0.03 0.01 0.00 0.01 -0.02 -0.01 0.00 -0.02 -0.00 -0.04 -0.02 -0.01 0.01 -0.03 -0.01 -0.01 -0.03 -0.01 -0.03 0.01 -0.01 -0.02 -0.04 0.00 -0.09 0.03 0.01 0.03 -0.04 -0.00 -0.08 -0.02 -0.02 -0.04 -0.00 -0.02 -0.04 -0.02 0.00 -0.04 -0.01 -0.03 0.04 0.03 0.01 0.05 0.01 0.01 -0.03 0.04 0.02 0.01 -0.01 -0.01 0.04 -0.03 0.01 0.04 -0.01 -0.01 0.05 -0.05 -0.01 -0.01 0.03 -0.01 -0.02 -0.05 0.01 -0.13 -0.05 0.00 -0.12 -0.04 -0.03 -0.06 -0.00 -0.03 -0.06 0.02 0.02 -0.02 -0.04 -0.01 -0.01 -0.02 0.01 -0.07 -0.15 0.06 -0.41 -0.29 -0.34 0.37 0.42 0.19 0.26 -0.00 0.00 -0.10 -0.01 0.00 -0.13 -0.05 0.06 0.03 0.09 -0.03 0.01 0.04 0.02 0.01 0.04 0.02 0.01 0.04 0.02 0.02 -0.00 0.08 -0.08 -0.06 0.01 -0.04 0.09 0.02 0.27 -0.03 0.01 -0.01 -0.02 -0.03 -0.09 -0.00 0.03 0.01 0.01 0.07 0.01 -0.02 -0.01 -0.01 0.01 0.05 -0.04 0.04 0.04 -0.02 -0.00 0.03 0.00 -0.01 -0.00 0.00 0.01 -0.01 0.05 -0.04 -0.08 -0.03 0.05 -0.00 0.03 -0.02 0.00 0.01 0.04 -0.02 0.07 -0.02 -0.07 -0.02 -0.04 -0.11 -0.04 0.06 0.05 -0.04 -0.02 -0.02 0.05 0.02 -0.00 0.07 0.01 -0.04 -0.08 -0.07 0.01 -0.04 -0.00 0.03 0.04 0.04 0.12 0.04 -0.02 0.04 -0.01 0.01 0.03 0.02 -0.05 -0.11 -0.05 0.08 -0.02 0.04 0.06 -0.05 0.11 -0.03 -0.10 -0.03 -0.06 -0.17 -0.06 0.06 0.07 -0.04 0.06 0.07 -0.04 0.08 0.04 -0.05 0.09 -0.11 0.41 0.20 0.20 -0.19 -0.38 -0.15 -0.09 -0.07 -0.06 -0.27 -0.02 -0.07 -0.18 -0.04 0.03 -0.01 0.11 -0.09 -0.03 -0.07 -0.02 -0.02 -0.09 0.02 -0.06 -0.04 0.03 -0.04 -0.01 -0.09 0.07 -0.00 0.02 -0.03 0.04 0.02 0.05 -0.00 0.02 -0.01 0.00 0.00 -0.07 0.01 -0.05 -0.02 -0.00 -0.09 -0.04 0.02 0.02 0.01 -0.02 -0.05 0.03 -0.07 -0.01 -0.05 0.03 -0.04 0.09 0.01 -0.06 -0.02 0.02 -0.00 0.06 0.03 0.09 0.06 -0.08 0.03 -0.07 0.01 0.02 0.00 -0.04 0.03 -0.02 0.02 0.02 0.02 0.04 0.10 0.06 -0.12 -0.02 -0.09 0.05 0.01 0.07 0.02 0.02 -0.00 0.01 -0.00 -0.09 0.04 0.02 0.00 0.02 -0.03 -0.08 -0.02 -0.17 -0.08 0.07 -0.07 0.16 -0.00 -0.11 -0.04 0.04 0.15 0.08 -0.12 0.05 -0.13 -0.04 0.06 -0.04 0.03 0.02 0.03 0.05 0.16 0.09 -0.08 0.02 -0.07 -0.15 -0.09 -0.07 -0.16 0.01 -0.16 0.16 -0.03 0.43 0.30 0.20 -0.17 -0.28 -0.12 -0.06 -0.01 -0.01 -0.10 -0.02 -0.02 -0.19 -0.06 0.04 -0.02 0.10 -0.03 -0.06 0.02 0.02 0.06 0.02 0.02 -0.03 0.09 0.03 -0.00 -0.02 -0.02 -0.11 0.01 -0.02 -0.01 -0.01 0.00 0.08 -0.01 -0.01 -0.01 -0.06 -0.01 -0.09 -0.02 -0.01 -0.03 -0.02 -0.02 -0.06 -0.04 -0.00 -0.03 -0.01 -0.02 -0.06 0.00 -0.03 0.04 -0.00 -0.00 -0.09 0.00 0.03 -0.00 0.02 0.01 -0.02 -0.03 0.05 0.01 0.02 -0.02 0.11 -0.04 -0.01 -0.03 0.03 -0.00 0.08 0.01 0.08 0.04 -0.01 0.09 0.05 -0.01 -0.05 0.07 0.04 0.02 -0.03 -0.04 -0.00 -0.01 -0.05 -0.01 -0.06 0.17 -0.04 0.15 -0.04 -0.04 -0.06 0.01 -0.00 -0.05 -0.01 0.00 -0.17 0.02 0.03 -0.00 -0.04 0.06 0.02 0.03 -0.03 0.19 0.05 0.00 0.14 0.03 0.11 0.07 0.00 0.13 0.08 -0.10 -0.12 0.04 0.04 0.01 0.02 0.01 -0.06 0.19 0.00 0.07 -0.16 -0.03 -0.06 0.05 0.18 0.06 0.01 -0.07 -0.02 -0.16 -0.10 -0.03 -0.30 -0.20 0.12 0.10 0.16 -0.12 0.04 0.13 0.02 0.32 0.17 -0.04 0.13 0.33 -0.10 0.12 0.00 0.00 -0.05 -0.11 0.08 0.09 0.05 0.09 -0.11 -0.05 0.05 0.05 0.04 0.01 0.01 -0.00 -0.02 -0.02 0.01 -0.00 -0.03 0.00 0.09 0.04 0.01 -0.00 -0.03 0.01 -0.00 -0.01 0.01 0.00 -0.04 -0.03 -0.19 -0.08 0.02 0.00 -0.02 -0.01 0.08 0.05 0.02 -0.00 0.01 -0.00 0.09 0.03 0.02 -0.00 0.00 -0.04 -0.23 -0.08 -0.03 -0.08 -0.00 0.01 -0.00 -0.02 0.02 0.00 -0.02 0.03 0.07 -0.03 0.10 -0.02 -0.03 -0.07 -0.01 0.25 0.00 -0.01 -0.02 0.02 0.01 -0.02 0.01 0.00 -0.05 -0.04 -0.28 -0.12 -0.00 0.17 0.10 0.02 -0.01 0.02 0.02 -0.00 0.02 -0.07 -0.37 -0.13 -0.04 -0.10 0.00 -0.03 -0.02 -0.03 0.04 0.02 -0.05 0.02 -0.01 0.03 0.01 0.01 -0.04 0.01 -0.02 0.00 0.05 0.01 -0.01 0.02 -0.00 0.08 0.09 -0.07 -0.02 0.12 -0.04 -0.06 0.11 0.01 -0.06 -0.11 -0.06 0.40 -0.15 0.03 0.26 0.09 -0.08 0.22 -0.01 0.00 -0.04 -0.03 -0.00 -0.05 0.02 -0.00 0.07 -0.02 -0.00 -0.02 0.01 -0.03 0.06 -0.01 0.00 -0.02 -0.00 0.00 -0.04 -0.03 -0.01 -0.02 -0.01 0.01 -0.03 -0.01 0.01 -0.05 0.00 0.00 -0.01 0.01 0.02 0.00 0.00 0.01 -0.01 -0.03 -0.01 -0.00 -0.01 0.01 -0.05 -0.03 -0.01 -0.02 -0.01 0.01 -0.03 0.00 0.03 0.02 -0.01 0.01 0.02 -0.01 0.01 -0.05 0.01 0.00 0.01 0.00 -0.01 0.03 0.05 -0.04 0.12 0.08 -0.02 0.07 -0.01 0.01 -0.04 0.01 -0.01 -0.04 0.01 -0.00 0.01 0.02 0.03 0.01 -0.04 -0.01 -0.01 -0.02 0.02 -0.06 -0.01 0.01 -0.03 0.02 0.05 0.04 -0.01 0.02 0.03 0.04 0.04 -0.03 -0.05 -0.03 -0.01 -0.03 0.02 -0.12 0.02 0.00 0.03 0.03 -0.01 0.01 0.00 0.01 0.02 -0.03 -0.05 -0.03 0.15 -0.02 0.61 0.40 -0.20 -0.16 -0.37 0.11 -0.02 0.04 -0.03 0.23 0.04 -0.01 0.00 0.25 -0.03 0.05 0.03 0.00 0.06 -0.09 0.02 -0.09 -0.02 -0.01 -0.02 -0.04 0.00 -0.06 0.00 0.01 0.04 0.02 0.03 -0.02 0.02 0.02 -0.03 -0.01 -0.01 -0.03 0.02 0.01 0.04 0.02 0.01 -0.00 0.02 -0.00 0.06 0.03 0.04 0.00 0.00 -0.01 0.01 -0.02 -0.05 -0.04 -0.00 0.01 -0.07 -0.02 -0.00 -0.04 -0.01 0.00 -0.07 0.02 0.01 0.00 -0.01 -0.04 -0.02 0.04 0.00 0.04 -0.00 -0.02 0.04 -0.01 -0.00 -0.00 0.01 0.02 0.10 0.02 -0.03 0.07 0.03 0.07 -0.07 0.00 -0.05 -0.07 0.03 -0.01 0.12 0.05 0.07 0.01 -0.05 -0.09 -0.05 -0.01 0.01 -0.12 -0.03 0.01 -0.12 0.03 0.02 0.02 -0.02 -0.08 -0.02 0.13 0.01 0.07 -0.01 -0.01 0.12 0.02 0.01 -0.02 0.01 -0.04 0.08 0.03 -0.01 0.01 -0.05 -0.02 0.04 0.03 0.02 0.11 -0.08 -0.00 -0.32 -0.26 0.23 0.36 0.36 -0.16 0.26 -0.05 -0.11 0.30 -0.10 0.00 -0.03 0.27 -0.03 0.04 -0.03 0.05 -0.01 0.07 0.01 -0.07 0.03 0.04 -0.10 -0.02 0.05 -0.01 0.01 -0.09 0.05 -0.01 -0.01 0.02 0.00 0.03 -0.01 -0.04 0.01 0.03 -0.03 0.04 0.01 -0.00 0.03 0.01 -0.05 0.03 0.01 0.01 -0.05 0.04 -0.06 -0.00 0.00 -0.06 -0.00 0.07 -0.00 -0.00 -0.00 -0.05 0.02 0.01 -0.03 -0.02 -0.01 -0.01 -0.07 0.08 -0.04 -0.04 0.10 0.03 0.05 -0.00 -0.10 -0.02 0.01 -0.01 0.00 -0.01 0.12 -0.17 -0.05 0.20 0.12 -0.11 0.01 0.05 -0.02 0.03 0.01 -0.02 -0.07 0.04 0.02 0.04 -0.06 0.03 -0.09 0.02 0.09 0.02 -0.01 -0.01 -0.03 -0.04 -0.01 0.01 -0.10 0.09 -0.05 -0.04 0.13 -0.01 0.05 -0.01 0.05 0.08 -0.03 0.05 0.03 0.02 -0.10 -0.05 -0.03 -0.14 -0.03 0.03 -0.09 -0.01 0.02 -0.05 -0.13 0.10 0.06 -0.30 -0.23 0.04 -0.12 0.02 0.35 -0.16 -0.05 0.19 0.22 -0.08 0.30 0.05 -0.18 0.20 0.17 -0.10 0.03 -0.02 0.17 -0.05 0.02 -0.08 0.00 0.01 0.01 -0.03 0.02 -0.06 -0.03 0.01 -0.11 0.03 0.02 -0.01 0.02 -0.00 -0.01 0.01 0.01 -0.01 0.02 -0.00 0.12 0.03 -0.00 0.10 -0.00 -0.00 0.09 0.03 0.01 -0.00 -0.03 -0.01 0.01 0.00 -0.03 -0.01 0.02 -0.02 0.06 -0.00 0.01 -0.03 -0.01 -0.01 0.01 0.02 -0.02 -0.00 0.01 -0.04 -0.01 0.04 0.02 0.06 -0.08 0.00 -0.09 -0.01 0.01 -0.04 -0.04 0.01 -0.16 0.03 -0.00 0.03 0.06 0.09 -0.07 -0.02 -0.12 -0.07 -0.00 -0.00 0.11 0.04 0.01 -0.00 -0.01 -0.04 -0.02 0.02 -0.02 0.05 -0.03 -0.01 -0.04 0.03 -0.03 0.00 -0.00 -0.07 -0.01 -0.02 0.03 0.04 0.08 0.04 0.01 0.07 -0.00 0.09 -0.12 0.01 -0.22 -0.19 0.01 -0.03 0.03 -0.01 -0.10 -0.04 0.00 -0.20 0.04 0.04 0.20 0.18 -0.17 -0.39 -0.36 0.16 -0.29 -0.02 -0.06 0.22 -0.05 0.02 -0.06 0.23 0.01 0.02 0.01 -0.03 -0.02 -0.05 0.04 -0.06 -0.00 -0.00 -0.04 0.02 0.02 0.04 0.04 0.01 0.11 -0.02 0.03 0.06 -0.03 -0.00 0.07 0.00 -0.01 0.04 0.01 -0.04 -0.02 -0.02 -0.03 -0.02 0.02 -0.03 -0.03 -0.03 0.07 0.05 0.03 -0.00 -0.01 0.00 -0.06 -0.02 -0.00 -0.01 0.03 0.03 0.01 0.07 0.03 0.00 0.05 -0.03 0.04 0.00 -0.02 -0.04 -0.04 -0.07 -0.03 -0.10 0.07 0.03 -0.05 0.03 0.00 0.06 -0.01 -0.01 -0.10 0.01 0.04 -0.02 -0.07 -0.06 0.10 -0.03 0.05 0.10 0.03 -0.04 -0.07 -0.05 0.12 0.08 0.01 -0.11 -0.05 -0.02 -0.00 0.05 0.04 0.01 0.08 -0.04 0.07 -0.00 -0.02 -0.09 -0.09 -0.20 -0.03 -0.14 0.00 -0.04 -0.20 -0.07 -0.03 -0.02 0.05 0.08 -0.09 0.06 0.03 -0.04 0.13 0.01 -0.07 0.05 0.02 0.16 -0.03 -0.01 -0.18 -0.11 -0.12 -0.11 0.07 0.10 -0.17 -0.08 -0.19 0.29 -0.22 0.09 -0.32 0.37 0.24 -0.01 0.05 -0.06 0.05 0.03 0.03 0.07 -0.00 0.07 -0.01 -0.04 0.05 0.00 -0.04 -0.02 -0.04 -0.02 0.08 0.01 -0.03 0.01 0.00 -0.05 0.03 -0.01 0.04 -0.07 0.01 0.01 -0.05 0.01 0.06 -0.05 0.00 -0.01 0.11 0.03 0.06 -0.01 -0.01 -0.08 -0.07 -0.05 -0.01 0.00 -0.04 -0.06 0.05 -0.02 0.02 0.02 -0.05 -0.04 0.03 0.00 -0.08 -0.09 -0.05 -0.02 -0.09 0.07 0.15 0.02 0.02 -0.04 0.04 -0.03 0.07 -0.08 -0.02 0.01 0.06 0.01 -0.06 0.01 -0.01 -0.07 -0.02 -0.01 0.09 -0.07 0.02 0.00 0.16 0.05 -0.10 -0.14 -0.08 -0.04 0.02 -0.05 0.01 0.06 -0.08 -0.03 0.03 0.01 -0.10 -0.18 -0.09 -0.07 -0.18 0.05 0.00 -0.05 0.04 -0.02 -0.08 0.17 0.16 0.07 0.11 0.24 0.01 -0.03 0.11 0.01 0.01 -0.11 -0.06 -0.07 0.07 -0.16 0.08 0.18 -0.06 -0.07 0.04 -0.06 -0.03 0.09 0.29 -0.25 0.24 -0.00 0.25 -0.30 -0.09 0.01 -0.01 0.02 -0.05 -0.01 -0.01 -0.02 -0.00 -0.02 -0.01 0.01 -0.01 0.02 0.01 -0.00 -0.00 -0.01 -0.01 0.02 -0.00 0.01 0.03 0.01 -0.00 0.02 -0.01 0.01 -0.03 0.00 0.00 0.01 -0.01 0.01 -0.03 -0.02 -0.02 0.00 -0.01 0.01 -0.03 0.02 0.02 0.01 -0.02 0.02 -0.08 0.02 -0.01 0.03 -0.03 0.02 -0.11 -0.01 -0.00 -0.01 0.01 0.02 0.00 0.05 -0.04 0.18 0.03 -0.02 0.12 0.01 -0.01 0.01 -0.03 0.01 -0.06 0.00 0.00 -0.03 -0.01 -0.03 0.06 0.01 0.06 0.05 -0.00 0.01 -0.00 -0.03 -0.03 -0.00 0.04 0.04 0.02 -0.02 0.02 -0.07 -0.04 0.03 -0.14 -0.02 -0.01 -0.02 0.02 0.04 -0.00 -0.17 -0.26 0.08 0.19 0.21 0.05 0.15 -0.09 0.52 0.08 -0.05 0.28 0.16 -0.06 0.06 -0.11 0.02 0.16 0.02 0.01 -0.01 0.00 0.04 0.06 0.03 -0.09 -0.16 -0.15 0.08 -0.13 -0.04 -0.13 0.12 -0.13 0.03 -0.20 0.18 0.13 -0.02 0.02 -0.00 0.03 0.01 -0.02 0.01 -0.02 -0.01 -0.02 -0.01 -0.01 0.03 -0.04 -0.03 -0.10 -0.02 0.02 0.03 -0.02 0.02 0.06 -0.01 0.02 0.03 0.01 -0.01 -0.00 0.02 -0.01 -0.00 0.02 0.00 -0.03 -0.05 -0.01 -0.01 0.03 0.00 -0.01 0.00 0.05 0.02 0.02 -0.00 0.00 -0.02 -0.01 0.02 0.03 0.00 0.01 -0.05 -0.02 -0.04 -0.02 0.03 -0.01 0.05 -0.00 0.03 0.06 0.02 -0.00 -0.03 -0.02 -0.04 -0.00 -0.03 0.04 0.02 0.03 -0.05 -0.03 -0.02 0.09 -0.04 0.05 0.08 0.02 -0.00 -0.04 -0.08 -0.04 -0.01 0.03 0.08 0.03 0.02 0.00 0.01 0.03 0.01 0.02 -0.07 -0.06 -0.07 -0.01 0.04 -0.03 0.43 0.14 0.17 -0.18 -0.19 0.32 -0.06 0.05 -0.34 0.06 0.04 0.01 0.08 0.01 -0.01 0.06 0.01 -0.00 -0.05 -0.03 -0.08 0.00 -0.03 0.09 0.06 0.05 0.05 -0.05 -0.10 0.09 -0.03 -0.17 0.13 -0.15 0.05 -0.32 0.25 0.24 -0.02 0.03 0.01 0.02 -0.04 -0.04 -0.03 -0.05 -0.05 0.06 -0.04 -0.02 0.00 -0.02 -0.04 0.19 -0.05 -0.01 -0.03 -0.02 0.02 -0.02 -0.05 0.01 -0.01 0.06 0.00 0.06 0.07 0.00 0.02 0.08 -0.01 0.10 -0.09 -0.06 -0.08 0.07 0.01 0.02 -0.01 0.11 -0.01 0.06 0.01 -0.03 -0.04 -0.03 0.01 0.05 0.02 -0.05 -0.08 -0.01 -0.10 -0.03 0.13 -0.04 0.12 0.04 -0.02 0.07 0.03 -0.06 -0.03 -0.04 0.09 -0.09 -0.06 -0.08 0.04 -0.01 -0.01 -0.00 0.03 -0.02 -0.03 0.01 -0.02 0.10 -0.02 0.14 -0.15 -0.12 -0.10 0.04 0.17 0.01 0.04 0.02 -0.07 0.03 0.03 -0.13 -0.10 -0.05 -0.13 -0.01 0.21 -0.02 0.09 0.09 -0.02 0.15 0.08 -0.05 0.17 0.01 -0.02 0.05 0.07 -0.10 0.04 0.06 -0.06 0.12 -0.01 -0.09 -0.03 -0.05 0.15 -0.10 -0.06 -0.16 -0.21 -0.22 -0.11 -0.01 0.08 -0.17 0.08 0.22 -0.14 0.25 -0.07 0.18 -0.15 -0.16 -0.02 0.01 0.02 -0.03 0.06 -0.02 0.07 -0.02 0.01 0.02 0.03 -0.02 0.05 -0.04 -0.01 -0.05 -0.01 0.01 -0.03 0.00 0.02 -0.04 -0.03 0.01 -0.03 0.03 -0.01 0.04 0.02 -0.00 0.00 0.04 -0.02 0.11 0.00 -0.01 -0.02 0.02 -0.01 0.04 -0.04 0.02 -0.00 0.01 0.00 -0.01 -0.03 0.00 -0.02 0.01 -0.00 -0.02 -0.00 -0.01 -0.00 -0.02 0.01 0.01 -0.01 0.00 -0.05 -0.00 0.01 -0.06 -0.04 0.00 -0.02 0.03 -0.02 0.08 -0.02 0.00 -0.03 0.01 0.03 -0.04 -0.00 0.01 -0.04 0.05 -0.03 0.15 0.02 -0.02 -0.03 -0.05 0.04 0.01 0.01 0.01 -0.05 -0.01 0.01 -0.08 0.01 -0.02 0.01 -0.03 0.02 0.03 -0.37 -0.11 -0.19 0.21 0.17 -0.32 0.09 -0.05 0.28 -0.03 0.03 -0.13 -0.07 0.05 -0.04 0.06 -0.03 -0.10 -0.06 -0.02 -0.06 0.02 -0.06 0.07 0.07 0.08 0.12 0.05 -0.09 0.13 -0.07 -0.27 0.10 -0.25 0.05 -0.29 0.16 0.24 0.00 0.02 0.02 0.01 -0.07 -0.02 -0.10 0.01 -0.03 -0.02 -0.09 -0.00 -0.09 -0.01 -0.01 -0.10 0.01 0.02 0.09 -0.00 0.03 0.15 0.05 0.02 0.08 0.01 -0.01 -0.00 0.00 -0.00 -0.02 0.01 -0.01 0.01 -0.05 -0.01 0.03 0.01 -0.01 0.01 0.07 0.04 0.04 0.01 -0.00 0.00 0.01 -0.02 0.01 0.01 -0.01 0.02 -0.04 -0.04 -0.04 0.03 0.02 -0.02 -0.03 -0.01 -0.06 0.01 0.00 -0.02 0.00 -0.02 -0.04 -0.00 0.03 0.10 0.07 0.00 -0.01 -0.03 -0.06 0.22 -0.01 0.14 0.21 0.01 -0.01 0.00 -0.09 -0.02 0.03 0.12 0.06 0.05 0.01 -0.00 0.00 0.01 -0.01 0.03 -0.08 -0.08 -0.09 0.04 0.02 -0.06 -0.36 -0.13 -0.18 0.16 0.14 -0.30 0.05 -0.05 0.25 0.01 0.02 -0.04 0.00 0.01 -0.01 0.03 -0.01 -0.03 0.02 0.01 -0.07 0.01 0.06 0.11 0.03 0.15 0.16 -0.04 -0.09 0.19 0.09 0.24 -0.07 0.26 -0.06 0.15 -0.04 -0.16 -0.04 0.06 -0.06 0.26 0.03 -0.01 0.03 -0.08 0.00 0.04 -0.00 0.00 -0.01 -0.06 -0.01 0.05 0.02 -0.00 -0.02 0.01 -0.03 -0.01 -0.00 -0.01 -0.02 -0.01 0.03 -0.04 0.01 0.02 -0.03 -0.05 0.07 -0.23 -0.00 -0.01 -0.04 -0.02 0.03 -0.11 0.01 0.02 -0.02 0.04 -0.01 0.03 -0.02 -0.00 -0.02 0.04 -0.01 0.05 0.00 0.00 -0.04 0.01 0.03 -0.03 0.04 0.06 -0.08 0.01 -0.03 0.09 -0.06 0.01 0.01 0.03 -0.06 0.02 -0.01 -0.01 0.00 0.05 0.09 -0.09 -0.06 -0.18 -0.09 -0.07 0.09 -0.30 -0.02 -0.04 -0.04 0.03 0.03 -0.02 0.06 -0.02 0.10 0.09 -0.04 0.20 0.00 -0.01 -0.05 0.01 0.05 -0.02 -0.24 0.01 -0.18 0.21 0.21 -0.29 0.15 -0.01 0.15 0.05 -0.08 0.22 0.11 -0.12 0.07 -0.12 0.07 0.18 -0.11 -0.04 0.01 0.00 -0.15 -0.01 0.04 -0.03 0.04 0.12 -0.05 0.02 -0.03 -0.12 0.05 -0.11 0.01 -0.08 0.05 0.06 0.01 0.02 -0.01 0.09 -0.02 -0.07 -0.01 0.18 -0.04 -0.04 0.01 -0.07 0.10 0.13 -0.03 -0.03 -0.04 0.11 -0.03 -0.04 0.05 -0.10 -0.09 0.11 -0.02 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.06 -0.00 0.04 0.01 -0.00 0.00 -0.03 -0.13 0.07 0.04 0.01 -0.01 0.01 -0.02 -0.02 0.00 0.01 -0.01 0.01 -0.05 -0.07 0.05 -0.11 -0.05 0.07 -0.00 -0.00 -0.03 0.04 0.00 0.02 0.13 -0.09 -0.01 -0.13 0.13 0.03 0.05 -0.00 -0.05 -0.05 0.15 -0.20 -0.06 -0.11 -0.19 -0.02 0.00 -0.08 0.06 0.03 -0.01 -0.20 0.08 0.06 0.01 -0.01 0.02 0.02 -0.01 0.04 -0.03 -0.18 0.05 -0.14 -0.13 0.09 -0.10 -0.02 -0.07 0.05 0.02 -0.11 0.02 -0.02 0.04 0.05 0.02 0.06 0.09 -0.03 0.00 0.02 0.02 0.03 0.26 0.05 0.02 -0.08 0.38 0.01 -0.26 0.07 0.06 -0.29 0.07 0.06 0.06 0.09 -0.07 0.14 -0.05 -0.06 0.00 0.02 -0.04 -0.07 -0.07 0.00 -0.04 0.05 -0.03 0.05 0.02 -0.06 0.04 0.02 0.06 0.02 0.02 -0.11 -0.07 -0.14 -0.01 -0.06 -0.12 0.01 -0.03 -0.09 -0.00 -0.05 0.00 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.01 -0.08 -0.06 0.01 -0.00 0.00 0.01 -0.04 -0.13 -0.02 -0.01 -0.02 -0.00 0.02 0.01 0.06 -0.00 -0.00 0.01 -0.04 0.09 0.06 -0.03 0.02 0.02 0.21 0.14 -0.04 0.08 0.06 -0.02 0.04 0.01 -0.01 0.03 0.05 0.03 -0.01 0.04 0.02 -0.03 -0.12 0.02 -0.05 -0.10 0.02 0.00 0.00 0.02 -0.10 -0.06 0.01 -0.04 -0.17 -0.05 -0.01 -0.02 0.00 -0.00 0.00 0.01 -0.02 0.25 0.12 -0.01 0.09 0.03 0.12 0.23 -0.06 0.30 0.36 -0.10 0.42 -0.02 0.01 0.07 0.15 -0.00 0.12 0.04 -0.04 0.13 0.03 -0.04 0.07 0.04 0.01 0.04 0.06 0.05 0.07 0.12 0.06 -0.00 -0.03 0.08 -0.00 0.11 -0.01 0.05 0.03 0.09 -0.05 -0.03 0.01 0.03 -0.07 -0.04 -0.12 0.02 0.02 -0.05 -0.07 -0.02 -0.01 -0.01 0.16 -0.04 -0.05 -0.08 0.02 -0.02 0.03 0.05 -0.09 -0.15 0.02 0.03 0.07 0.03 0.02 -0.03 0.01 0.04 -0.03 0.06 0.05 0.01 0.00 0.04 0.02 0.05 0.04 0.02 0.05 0.01 -0.04 0.02 0.04 -0.02 0.03 -0.00 0.14 0.06 0.04 0.01 0.02 0.05 -0.06 0.02 -0.02 -0.10 -0.03 0.00 0.02 -0.14 -0.05 0.01 -0.00 -0.04 0.04 -0.03 -0.04 0.04 0.03 0.15 0.01 -0.00 0.05 -0.30 0.14 -0.27 -0.24 0.07 0.04 0.02 -0.05 0.06 0.04 0.12 -0.01 -0.06 0.01 0.05 -0.01 0.06 0.04 0.03 -0.01 0.07 -0.08 0.01 -0.09 -0.15 -0.04 -0.08 0.01 -0.03 0.01 0.03 -0.06 0.03 0.09 -0.13 -0.23 -0.06 -0.27 0.01 0.06 -0.21 -0.03 0.04 -0.01 -0.04 0.05 -0.02 -0.02 0.07 0.01 0.02 0.05 -0.08 -0.10 0.08 0.04 0.34 -0.00 0.21 0.05 -0.02 -0.02 0.16 0.02 0.01 -0.04 -0.01 0.08 0.01 0.15 0.22 0.15 -0.04 -0.17 0.06 -0.15 0.01 -0.14 0.07 0.02 -0.08 0.01 0.02 -0.06 0.05 0.02 -0.06 0.02 0.02 0.01 -0.00 0.01 0.02 -0.00 0.04 0.03 -0.00 -0.02 -0.04 -0.02 0.03 0.03 0.00 0.03 -0.07 -0.04 0.02 0.02 -0.00 -0.10 0.03 -0.06 0.04 0.03 -0.00 0.01 0.06 -0.02 0.03 0.02 -0.04 -0.01 0.00 0.00 -0.07 -0.03 0.01 -0.01 -0.02 -0.02 -0.23 -0.04 0.05 0.00 0.07 0.03 0.03 -0.10 0.09 0.02 0.00 0.09 0.05 0.02 -0.00 -0.07 -0.04 -0.01 0.08 -0.12 -0.07 0.01 0.03 -0.00 0.04 0.03 -0.00 0.02 0.15 -0.00 0.04 0.06 -0.05 -0.03 -0.02 -0.01 0.00 0.00 -0.02 -0.02 0.01 0.04 -0.06 -0.14 -0.02 -0.14 0.00 0.04 -0.13 -0.01 0.03 0.05 -0.11 0.06 -0.19 0.20 0.01 -0.38 -0.13 0.08 -0.35 -0.05 0.05 -0.01 -0.08 0.07 -0.11 0.09 -0.16 0.08 0.27 0.06 0.06 0.01 0.07 -0.03 0.04 -0.07 0.01 0.01 -0.02 0.09 0.00 0.07 0.01 0.02 -0.03 -0.03 -0.04 -0.05 -0.01 0.05 0.12 -0.07 -0.07 -0.08 0.05 0.01 -0.02 0.04 0.02 -0.07 0.08 0.04 -0.01 -0.05 -0.11 -0.08 0.09 0.04 0.02 -0.11 -0.09 -0.03 0.06 0.05 -0.04 -0.00 0.00 -0.01 0.11 0.03 0.02 -0.03 0.03 0.04 -0.05 0.09 0.08 -0.09 -0.10 0.03 -0.11 -0.06 0.01 0.02 0.01 0.00 0.03 0.02 -0.01 -0.02 -0.01 0.00 0.06 -0.08 0.26 -0.12 0.20 0.19 0.09 0.03 -0.03 -0.04 -0.16 -0.10 -0.15 -0.12 -0.04 0.04 0.06 -0.05 0.12 0.03 0.06 0.02 0.11 0.12 -0.02 0.23 0.16 -0.06 -0.25 0.03 -0.14 -0.17 0.07 -0.22 0.01 0.10 -0.10 -0.25 -0.08 -0.25 0.01 0.06 -0.19 -0.04 0.02 0.02 0.02 -0.01 0.03 0.01 0.01 0.05 0.03 -0.02 0.02 0.02 -0.01 -0.01 0.04 -0.01 0.01 0.00 0.10 -0.05 -0.11 -0.02 0.00 0.03 -0.06 -0.04 0.02 -0.00 -0.00 -0.01 -0.01 0.02 0.00 0.04 -0.01 -0.01 -0.04 0.00 -0.02 -0.01 0.01 0.02 0.01 -0.01 -0.02 -0.01 0.05 -0.02 0.12 0.08 -0.05 0.25 0.01 0.00 -0.02 -0.00 -0.04 -0.02 -0.03 0.03 -0.16 -0.01 -0.03 -0.02 0.05 -0.02 0.14 0.00 0.00 0.02 -0.04 0.04 -0.18 0.01 0.02 0.00 0.00 0.03 0.00 -0.06 -0.00 -0.09 0.01 -0.03 0.07 -0.00 -0.01 -0.00 -0.01 -0.00 0.02 -0.00 0.04 0.01 0.02 -0.03 0.06 0.02 0.09 0.05 0.01 0.01 -0.04 -0.01 -0.05 -0.03 -0.01 -0.05 -0.03 0.06 -0.03 0.16 -0.09 0.07 -0.33 0.02 0.06 0.02 0.01 0.07 0.03 -0.18 0.29 -0.11 -0.01 -0.28 -0.26 -0.15 0.05 -0.29 0.06 -0.09 0.24 0.15 -0.16 0.05 -0.15 0.10 0.19 -0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.03 0.04 -0.01 -0.04 0.04 -0.00 0.09 0.00 0.04 0.02 0.01 -0.01 0.04 0.01 0.00 0.13 0.07 -0.09 0.08 0.02 0.00 -0.03 -0.01 0.05 0.01 0.10 -0.03 -0.10 -0.02 0.06 -0.01 -0.07 0.06 0.12 0.02 0.01 -0.03 -0.06 -0.03 0.02 -0.01 -0.02 -0.00 -0.05 -0.10 -0.05 -0.00 0.09 -0.08 -0.08 -0.09 -0.08 0.03 0.01 -0.05 -0.08 -0.03 -0.04 -0.03 0.00 0.02 0.03 -0.08 -0.09 0.05 0.11 0.01 -0.02 0.08 0.05 0.00 -0.03 -0.04 0.01 0.14 0.05 -0.04 -0.01 -0.05 0.02 -0.11 -0.08 0.04 -0.01 0.15 0.03 0.15 0.12 0.07 0.02 0.13 0.03 -0.13 -0.03 0.02 0.10 -0.11 -0.10 0.00 -0.08 -0.09 0.02 -0.07 -0.04 -0.07 -0.14 0.09 0.14 0.06 0.02 0.08 0.13 0.08 -0.02 -0.12 0.01 -0.05 -0.02 0.04 -0.05 -0.02 0.06 0.11 0.31 -0.00 0.26 0.01 -0.09 0.29 -0.02 -0.10 -0.02 -0.09 0.05 -0.09 0.01 0.04 -0.13 -0.07 0.06 -0.17 -0.11 0.06 -0.00 0.26 0.03 0.10 0.09 0.01 -0.03 0.15 0.03 -0.00 -0.03 -0.02 0.12 0.19 -0.17 0.02 0.02 -0.04 0.23 0.12 0.01 -0.07 -0.15 -0.04 -0.01 0.02 0.02 -0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.01 0.09 0.05 0.01 0.01 -0.00 0.02 0.09 0.06 -0.00 0.01 0.01 0.04 0.02 0.03 0.01 0.02 -0.01 -0.03 -0.06 -0.01 -0.01 -0.03 0.00 0.02 0.02 -0.01 -0.02 -0.00 0.01 -0.04 -0.04 0.03 -0.16 -0.13 0.06 -0.07 -0.09 0.04 -0.05 -0.03 -0.01 -0.02 -0.02 -0.00 0.02 0.00 -0.01 0.03 0.16 0.08 0.03 0.18 0.10 -0.01 0.01 0.01 0.01 0.03 -0.01 -0.06 -0.15 -0.05 -0.02 -0.08 -0.03 -0.01 0.04 -0.02 0.04 0.04 -0.03 0.04 -0.00 -0.00 -0.01 -0.04 0.00 -0.03 0.00 0.01 -0.04 0.01 0.01 -0.07 -0.15 0.04 -0.13 -0.03 0.07 -0.18 -0.10 0.10 -0.23 -0.19 0.10 -0.07 -0.23 -0.01 -0.25 0.07 0.33 -0.10 -0.37 -0.03 -0.01 -0.10 -0.03 -0.08 -0.02 0.02 -0.01 -0.01 0.02 0.02 -0.05 0.06 -0.00 -0.01 0.03 0.05 -0.00 -0.11 -0.04 -0.06 0.14 -0.01 0.03 -0.09 -0.01 -0.04 0.00 -0.05 -0.01 0.02 0.03 -0.01 -0.01 0.12 0.08 -0.05 0.02 0.02 0.00 -0.01 0.09 0.00 -0.05 0.01 0.01 -0.03 0.01 -0.07 -0.00 0.04 0.01 0.09 -0.04 -0.01 0.01 -0.05 -0.00 0.06 0.06 -0.00 -0.04 -0.01 0.01 -0.01 -0.00 -0.02 -0.02 -0.01 0.00 0.01 0.06 -0.00 0.01 -0.33 0.42 -0.25 0.26 0.31 0.04 -0.01 -0.04 0.21 0.18 -0.01 -0.05 0.19 0.06 -0.08 0.03 0.01 -0.00 0.08 0.01 0.12 -0.10 0.02 -0.03 -0.12 0.04 0.06 0.13 0.00 0.08 0.15 -0.01 0.15 -0.02 -0.03 -0.04 -0.09 -0.01 -0.09 0.01 0.03 -0.09 0.01 0.02 -0.03 -0.02 -0.08 -0.02 -0.01 -0.01 -0.04 -0.02 0.00 -0.00 0.00 -0.01 0.01 0.16 0.01 0.10 0.00 -0.06 0.01 0.11 0.01 0.01 0.02 0.00 -0.12 -0.22 -0.14 0.14 0.43 -0.07 0.06 -0.14 0.27 -0.14 0.06 0.05 0.04 -0.06 0.03 0.07 -0.02 -0.00 -0.01 -0.04 0.04 0.01 0.03 -0.00 0.01 0.02 -0.00 -0.02 0.00 0.01 0.03 0.01 0.02 -0.03 -0.03 -0.01 0.05 0.02 -0.02 0.01 -0.01 0.01 -0.05 -0.02 0.07 -0.03 -0.03 -0.00 0.04 0.02 -0.06 0.03 -0.00 -0.06 -0.03 0.01 0.01 0.03 -0.00 -0.01 -0.12 0.20 0.03 -0.05 -0.01 0.02 0.05 -0.22 -0.11 0.09 0.02 -0.03 0.12 -0.05 -0.02 -0.04 0.01 0.04 -0.02 0.06 0.05 0.12 0.03 -0.02 0.05 -0.03 0.01 -0.03 -0.05 0.00 0.03 0.04 -0.07 0.03 -0.02 -0.07 -0.03 -0.02 0.01 -0.03 -0.02 0.01 -0.06 0.03 0.02 0.02 0.06 0.01 0.07 -0.02 -0.02 0.06 -0.01 -0.01 -0.26 -0.02 -0.13 -0.07 -0.11 0.02 -0.01 0.01 0.01 -0.00 0.00 0.01 0.05 -0.08 -0.10 0.15 -0.26 -0.04 0.02 -0.31 -0.13 -0.00 -0.01 0.04 -0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.02 -0.00 -0.02 -0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.04 0.03 -0.14 -0.03 0.03 -0.18 0.03 -0.02 0.15 0.00 0.02 0.00 -0.05 0.04 -0.12 0.00 0.02 0.01 0.09 -0.04 0.19 -0.00 -0.00 -0.01 -0.02 0.01 -0.09 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.03 -0.01 -0.00 0.03 0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.03 -0.01 0.02 -0.02 -0.01 0.01 0.14 -0.09 0.53 0.01 0.05 0.02 0.01 0.05 0.03 0.20 -0.11 0.58 -0.01 -0.02 -0.06 -0.00 0.00 0.00 -0.01 -0.02 -0.01 0.10 -0.18 0.01 -0.05 0.05 0.10 -0.00 -0.02 0.05 0.01 0.03 0.08 0.08 -0.09 0.02 -0.04 0.12 0.10 -0.02 -0.01 -0.12 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.02 0.00 0.00 0.01 -0.00 -0.01 0.01 0.00 0.07 -0.06 -0.02 0.02 0.01 -0.01 -0.01 -0.02 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.02 0.05 0.02 0.02 -0.01 0.02 -0.01 0.03 0.01 0.07 0.08 -0.04 -0.10 0.20 0.03 0.09 0.02 0.01 -0.01 -0.02 -0.03 0.07 -0.17 -0.08 -0.03 -0.03 -0.01 -0.07 -0.02 0.06 -0.01 0.01 -0.00 -0.08 -0.07 -0.01 -0.02 0.01 -0.00 -0.03 0.03 0.01 -0.15 0.26 0.10 0.12 -0.25 -0.09 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.03 -0.07 0.05 -0.00 0.03 0.04 -0.04 0.09 0.14 -0.04 -0.09 -0.06 -0.05 -0.10 -0.04 0.08 -0.11 0.07 -0.07 0.06 0.03 -0.01 -0.02 0.00 -0.03 0.05 0.02 -0.13 0.22 0.10 -0.15 0.28 0.12 -0.15 0.27 0.13 0.13 -0.23 -0.07 0.14 -0.27 -0.09 0.13 -0.24 -0.07 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.02 0.00 0.02 -0.00 -0.03 -0.01 0.02 -0.05 -0.03 0.01 -0.01 -0.03 -0.01 0.01 0.00 0.00 0.00 0.02 -0.02 -0.02 0.02 0.04 0.22 0.07 -0.03 0.05 -0.01 0.05 0.17 0.05 -0.02 -0.08 -0.04 -0.07 -0.06 -0.02 0.02 -0.06 0.00 0.01 -0.12 -0.05 0.02 0.05 -0.01 -0.02 -0.12 -0.08 -0.08 0.01 0.05 0.03 0.02 0.02 -0.02 0.07 0.01 0.06 0.01 0.02 0.07 0.07 0.04 0.07 0.01 -0.02 -0.06 0.02 0.02 -0.01 0.01 -0.00 -0.04 -0.03 0.02 0.01 -0.05 -0.02 -0.15 0.03 -0.04 -0.06 0.02 -0.02 0.09 -0.10 0.02 -0.03 -0.43 -0.19 -0.11 -0.41 -0.22 -0.13 0.04 0.13 -0.02 0.12 0.02 0.04 -0.04 -0.01 0.06 0.07 0.07 0.10 0.10 -0.00 0.09 0.15 0.00 0.22 -0.11 -0.06 -0.05 -0.09 0.00 -0.11 0.03 0.05 -0.12 0.05 0.05 -0.08 -0.06 -0.18 -0.03 -0.02 0.00 -0.05 -0.03 0.03 -0.03 -0.04 0.02 0.01 -0.07 -0.02 -0.01 -0.03 0.02 0.00 -0.08 -0.03 0.00 -0.00 -0.00 0.01 -0.02 0.00 0.00 0.02 0.03 -0.02 0.00 -0.01 -0.02 -0.01 -0.08 0.01 0.01 -0.01 -0.00 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.02 0.00 -0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.02 -0.00 0.00 0.02 -0.00 0.01 -0.00 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.05 0.01 -0.01 -0.01 0.01 -0.02 -0.01 0.00 -0.01 0.02 -0.03 0.03 0.02 0.02 -0.02 0.03 0.03 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.05 -0.00 0.02 0.00 0.02 -0.01 -0.00 -0.00 0.00 0.02 0.02 0.00 0.00 0.00 0.03 0.01 0.02 -0.01 -0.01 -0.00 -0.02 0.01 -0.01 -0.01 0.01 -0.02 0.01 0.01 0.21 0.13 0.95 0.01 -0.02 0.02 0.05 -0.03 -0.04 -0.02 0.02 -0.03 0.01 -0.03 -0.01 -0.00 -0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.07 -0.02 0.05 -0.01 -0.04 -0.03 -0.04 0.01 -0.04 0.04 0.01 0.01 -0.02 -0.00 0.03 -0.04 -0.06 0.01 -0.11 0.05 0.02 0.23 0.09 0.03 0.07 0.01 0.10 0.06 -0.00 -0.07 0.05 0.02 0.01 -0.08 -0.10 -0.09 -0.01 0.03 -0.05 0.04 0.01 0.11 0.00 -0.04 -0.00 0.05 0.04 -0.01 -0.07 -0.01 0.05 0.15 0.05 -0.09 -0.10 -0.06 -0.03 -0.01 0.01 -0.00 0.08 0.02 0.01 -0.01 0.00 -0.02 -0.02 0.01 0.01 -0.08 -0.03 0.03 -0.24 0.18 -0.09 0.06 0.14 -0.14 0.09 0.02 -0.03 -0.21 -0.16 -0.08 -0.07 -0.04 0.18 -0.03 -0.09 -0.01 -0.19 -0.03 0.13 0.28 0.16 -0.15 -0.31 -0.12 -0.06 -0.10 -0.01 -0.04 -0.14 -0.02 -0.16 0.09 0.06 -0.02 0.22 0.05 0.08 0.05 -0.02 0.08 0.04 -0.02 0.01 -0.02 0.03 -0.01 0.01 0.00 -0.03 -0.02 0.01 -0.03 -0.03 0.01 0.01 -0.14 -0.03 -0.05 -0.03 0.04 0.01 -0.14 -0.04 -0.13 0.18 0.08 0.02 -0.02 -0.01 -0.02 -0.01 -0.01 -0.05 0.02 -0.01 -0.00 -0.01 0.00 -0.07 -0.13 -0.09 -0.04 0.11 -0.01 0.02 0.10 0.03 -0.10 -0.03 0.02 -0.10 -0.07 0.00 0.10 0.03 -0.01 0.00 -0.08 -0.01 0.16 0.00 -0.05 0.03 0.09 0.00 -0.09 -0.05 0.03 0.03 0.02 0.07 0.09 0.05 -0.02 0.07 0.12 0.07 0.02 -0.15 -0.06 0.01 -0.02 -0.01 0.05 -0.14 -0.04 0.01 0.00 0.02 -0.01 -0.02 0.01 0.01 -0.05 -0.02 0.16 0.19 0.01 -0.05 0.08 -0.03 0.21 -0.04 -0.03 0.05 -0.04 0.00 0.03 0.16 0.04 -0.19 0.00 0.08 0.10 0.22 0.01 0.10 0.35 0.15 -0.03 -0.31 -0.11 0.03 0.04 0.00 0.02 0.06 0.01 0.10 -0.09 -0.05 0.07 -0.30 -0.08 -0.03 -0.11 -0.01 -0.04 -0.10 -0.01 -0.04 -0.03 -0.11 -0.01 -0.00 0.01 -0.02 -0.00 0.02 -0.02 -0.03 0.02 0.01 -0.07 -0.02 -0.02 -0.03 0.01 0.01 -0.07 -0.02 0.16 0.05 -0.02 0.05 0.02 -0.02 0.00 -0.05 -0.02 -0.06 0.06 0.02 0.03 0.01 -0.02 0.11 -0.13 0.01 0.26 0.05 0.03 -0.08 -0.05 0.07 0.08 -0.11 -0.02 -0.08 -0.05 -0.01 -0.01 -0.15 -0.03 0.01 0.02 -0.08 -0.04 0.01 -0.02 -0.09 0.03 0.06 -0.13 0.06 0.04 -0.08 0.01 0.07 -0.13 0.07 0.07 -0.01 0.07 -0.08 -0.19 0.02 -0.07 0.05 0.00 -0.01 -0.05 0.02 0.02 0.03 -0.03 0.04 0.03 0.04 -0.01 0.00 -0.04 -0.01 0.30 0.07 0.03 0.33 0.05 0.03 0.04 -0.17 -0.02 -0.10 0.14 0.00 0.05 0.12 0.08 -0.16 0.07 0.06 -0.11 0.10 0.13 0.09 0.10 0.04 -0.20 0.02 -0.05 0.09 0.11 0.01 0.07 0.17 0.02 0.22 -0.13 -0.07 -0.04 -0.05 0.02 -0.07 0.00 0.04 -0.11 0.06 0.05 0.03 0.01 -0.14 0.03 0.04 -0.00 0.04 0.06 -0.00 0.03 0.02 0.00 0.00 -0.12 -0.02 -0.07 0.01 0.06 -0.00 -0.10 -0.02 -0.03 -0.04 0.02 0.08 -0.01 -0.00 -0.00 -0.03 -0.08 -0.19 0.11 -0.02 0.01 0.01 -0.05 -0.03 0.01 -0.02 -0.08 -0.01 0.01 -0.16 -0.07 -0.01 -0.03 0.03 -0.03 0.02 0.01 0.01 -0.01 0.04 -0.00 0.13 0.02 0.09 0.01 -0.01 0.05 -0.09 0.04 -0.18 0.03 -0.02 0.01 -0.01 -0.01 0.27 0.02 -0.01 -0.04 0.17 -0.11 -0.10 0.06 0.08 -0.01 -0.01 0.00 0.00 0.01 0.01 0.00 0.06 -0.02 0.18 0.03 0.04 -0.01 0.02 -0.08 -0.02 -0.07 -0.10 0.10 -0.18 0.09 0.06 -0.03 0.05 -0.02 0.15 0.13 0.14 -0.04 0.12 -0.15 0.05 -0.03 0.00 -0.01 -0.02 -0.12 0.14 -0.15 -0.15 0.02 0.17 0.26 -0.04 0.00 -0.01 -0.01 -0.04 -0.02 -0.05 0.04 0.00 -0.01 0.04 -0.02 -0.01 0.05 -0.01 0.04 -0.04 -0.04 -0.05 -0.01 -0.40 0.04 0.03 0.02 0.07 0.11 0.02 0.02 -0.02 0.04 0.02 -0.20 -0.04 -0.10 -0.01 0.05 0.00 -0.14 -0.03 0.03 -0.00 0.07 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.02 -0.01 0.01 0.00 -0.00 0.00 0.02 -0.01 0.00 0.03 0.01 0.01 0.01 0.00 0.01 -0.06 0.04 -0.26 0.02 -0.02 0.08 -0.02 0.01 -0.09 -0.01 -0.00 -0.02 0.09 -0.06 0.30 0.01 -0.00 0.03 0.02 -0.02 0.10 -0.01 0.00 -0.03 -0.07 0.04 -0.17 -0.02 0.02 0.00 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 -0.01 -0.00 -0.02 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.03 0.04 -0.01 0.04 -0.03 -0.01 -0.04 0.01 -0.13 -0.02 -0.01 -0.02 0.01 -0.00 0.03 0.02 -0.02 0.13 -0.19 0.13 -0.56 -0.00 0.03 0.02 -0.02 -0.02 -0.03 -0.07 0.14 -0.02 0.05 -0.09 -0.10 -0.00 -0.01 -0.09 -0.05 0.03 -0.16 -0.20 0.30 -0.01 0.12 -0.25 -0.21 0.02 0.01 0.08 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.02 0.00 0.01 0.00 -0.00 0.00 0.01 0.00 0.20 -0.06 -0.00 -0.02 -0.03 0.04 -0.01 0.05 -0.03 -0.01 -0.02 -0.09 -0.04 -0.00 -0.01 -0.17 -0.02 -0.10 -0.12 0.15 -0.07 0.01 -0.05 -0.11 0.16 -0.08 -0.06 0.05 0.05 -0.00 -0.03 -0.17 -0.02 -0.09 -0.09 0.04 -0.06 -0.02 0.02 0.06 0.09 -0.03 0.03 0.15 0.02 0.17 -0.04 0.09 -0.14 0.04 0.05 -0.04 0.04 0.14 0.11 -0.16 -0.00 0.00 0.06 0.01 -0.04 0.02 0.02 0.01 0.04 0.08 -0.03 -0.03 0.01 0.00 0.01 0.01 -0.16 0.03 0.03 -0.23 0.22 -0.03 -0.09 -0.14 -0.00 0.09 0.03 0.07 -0.01 0.33 0.11 0.10 0.11 -0.02 -0.14 -0.04 0.03 -0.06 0.34 0.17 0.13 -0.11 -0.01 -0.00 0.07 0.01 0.01 0.07 0.01 0.01 0.05 0.01 -0.04 0.01 0.01 -0.05 0.03 0.02 -0.05 0.02 0.02 -0.08 -0.03 -0.11 -0.03 -0.04 0.02 -0.01 -0.00 0.02 -0.03 -0.06 0.03 0.00 0.06 0.01 0.05 -0.03 -0.06 0.01 0.07 0.02 -0.04 0.02 0.00 -0.03 -0.07 0.06 -0.04 0.06 -0.06 -0.05 -0.01 -0.13 -0.05 -0.02 -0.04 0.10 0.03 -0.15 0.03 -0.03 -0.02 0.15 0.01 -0.04 -0.04 0.02 0.02 -0.02 -0.02 0.00 0.01 0.05 0.00 0.01 0.19 -0.26 0.02 0.00 0.01 -0.00 -0.14 0.17 -0.01 -0.05 0.00 0.29 -0.01 0.18 0.03 -0.01 -0.02 -0.16 -0.05 0.02 -0.15 0.06 0.11 -0.00 -0.02 -0.01 0.01 -0.00 -0.00 0.06 0.08 0.20 -0.06 -0.07 0.02 0.02 -0.01 -0.01 0.10 -0.05 0.03 -0.07 0.02 -0.00 0.02 0.04 -0.01 0.11 0.21 -0.28 -0.07 -0.17 0.17 -0.03 -0.04 0.01 0.03 0.01 -0.03 0.01 -0.25 0.18 -0.06 0.18 -0.04 -0.01 -0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.02 -0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 0.02 -0.01 -0.01 -0.14 -0.07 -0.21 -0.05 -0.05 0.05 -0.04 -0.01 0.05 -0.09 -0.13 0.06 0.02 0.04 -0.00 0.08 -0.07 -0.09 0.02 0.07 0.01 -0.07 0.05 0.03 0.00 -0.00 -0.01 -0.03 -0.02 0.03 -0.05 0.04 0.07 0.05 -0.03 0.01 -0.03 -0.10 -0.07 -0.06 -0.07 -0.01 0.05 0.11 0.04 0.01 0.02 -0.00 0.10 0.03 -0.01 -0.07 -0.06 0.01 0.01 0.09 0.01 -0.03 -0.04 -0.00 0.02 -0.10 -0.01 0.08 0.31 0.04 -0.03 0.09 -0.00 -0.15 0.15 0.08 -0.04 -0.08 -0.03 0.05 0.07 0.05 0.10 -0.11 -0.05 0.08 -0.21 -0.07 0.01 0.02 -0.07 -0.00 -0.01 0.00 0.02 -0.05 -0.03 0.03 -0.06 0.03 -0.09 -0.05 0.01 -0.12 -0.04 0.05 0.07 0.22 0.06 -0.01 -0.20 -0.06 0.07 0.32 0.03 -0.15 0.10 0.06 -0.05 -0.12 -0.04 0.09 0.14 0.03 0.08 -0.15 -0.06 0.09 -0.18 -0.06 0.04 -0.07 -0.03 0.09 -0.23 -0.07 0.08 -0.22 -0.07 0.08 -0.21 -0.07 0.02 -0.05 0.05 0.01 0.08 -0.02 -0.06 -0.04 0.02 -0.05 -0.02 0.00 0.01 -0.07 -0.02 -0.02 -0.02 0.01 0.01 -0.08 -0.03 -0.02 0.01 -0.03 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.00 0.01 0.02 0.02 0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.07 -0.05 0.28 -0.05 0.05 -0.21 -0.03 0.01 -0.07 0.00 -0.01 0.00 0.03 -0.02 0.10 -0.01 0.02 -0.00 0.05 0.00 0.13 0.01 -0.02 -0.01 -0.05 0.03 -0.11 0.01 0.02 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.04 0.01 -0.02 0.01 -0.00 -0.00 0.02 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.03 -0.01 -0.02 0.02 -0.02 -0.00 -0.19 0.11 -0.62 -0.02 -0.07 -0.02 -0.01 0.00 -0.01 0.09 -0.02 0.25 -0.09 0.05 -0.24 0.01 -0.03 -0.02 -0.03 -0.06 -0.01 0.17 -0.29 -0.01 -0.09 0.20 0.17 0.03 -0.01 0.12 0.00 -0.02 -0.02 -0.03 0.06 -0.00 0.04 -0.10 -0.06 -0.01 0.01 -0.03 -0.00 -0.02 0.00 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.02 0.00 0.01 0.00 -0.01 0.00 0.02 0.01 0.05 -0.00 -0.00 0.00 -0.01 -0.01 -0.05 -0.03 0.04 -0.08 0.06 0.11 0.07 -0.05 0.01 -0.04 -0.09 -0.08 -0.01 0.06 -0.03 0.06 0.08 0.02 0.03 -0.05 0.04 -0.04 0.00 -0.03 0.02 -0.03 -0.03 -0.03 0.05 -0.00 0.01 0.01 0.02 0.05 -0.11 -0.01 -0.01 -0.11 0.00 -0.05 0.13 0.00 0.05 -0.06 -0.05 -0.08 -0.10 -0.01 0.08 -0.00 0.02 -0.06 0.08 0.03 -0.04 0.10 0.04 0.02 0.04 -0.11 -0.00 -0.02 0.00 0.03 -0.07 -0.04 0.04 0.02 0.02 -0.04 0.08 -0.02 0.04 -0.04 -0.14 0.12 0.43 0.16 0.07 0.08 0.09 0.02 -0.13 0.02 0.05 -0.06 -0.07 -0.03 0.26 0.11 0.22 0.42 0.11 -0.02 0.05 0.04 -0.07 0.15 0.07 -0.03 0.06 0.05 -0.04 0.09 0.03 -0.06 0.12 0.04 -0.05 0.09 0.03 0.03 -0.07 0.05 0.02 0.13 -0.03 -0.10 -0.06 0.03 -0.08 -0.03 0.01 0.02 -0.11 -0.03 -0.02 -0.03 0.02 0.02 -0.11 -0.05 0.03 0.04 0.01 -0.03 -0.02 0.02 -0.02 0.03 0.04 0.07 -0.04 -0.11 0.00 -0.00 0.02 -0.07 -0.18 -0.03 0.10 -0.04 0.03 -0.02 0.17 0.02 0.02 -0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.02 -0.02 -0.00 0.02 0.18 0.01 0.00 0.00 -0.13 0.06 -0.16 -0.02 -0.04 -0.00 0.20 -0.03 0.03 0.00 -0.02 -0.01 -0.00 -0.05 -0.01 -0.02 0.12 0.04 -0.02 0.02 0.01 -0.02 0.04 0.01 -0.01 0.05 -0.11 -0.03 -0.05 0.01 -0.01 0.02 0.01 0.23 -0.04 0.08 0.15 0.01 0.06 0.06 -0.05 -0.00 -0.06 0.01 0.19 -0.29 -0.31 -0.33 -0.01 -0.05 0.00 0.01 -0.01 0.00 -0.14 -0.31 -0.20 -0.17 -0.26 0.04 -0.01 0.04 0.01 -0.01 0.04 0.01 0.01 0.00 0.00 -0.02 0.02 0.01 -0.03 0.05 0.02 -0.03 0.03 0.01 -0.03 -0.03 0.07 -0.03 -0.00 -0.00 -0.07 -0.07 0.02 -0.05 -0.04 0.01 -0.01 0.09 0.02 0.06 -0.03 -0.06 0.00 0.08 0.02 0.01 -0.03 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.02 0.03 -0.01 -0.04 0.01 -0.00 0.01 0.02 0.06 0.05 0.03 -0.01 0.01 -0.01 0.02 0.01 -0.01 0.05 0.01 -0.01 -0.00 0.00 0.01 0.10 0.02 -0.00 -0.06 0.01 -0.01 -0.01 -0.00 -0.06 -0.00 -0.05 -0.04 -0.01 0.01 0.09 -0.01 0.02 -0.04 0.01 0.01 0.01 -0.04 -0.03 -0.06 -0.05 -0.04 0.04 -0.08 -0.03 0.01 -0.03 -0.01 -0.01 0.02 -0.07 -0.01 -0.02 0.01 -0.00 0.01 0.00 -0.05 -0.01 -0.03 0.07 -0.05 -0.00 -0.06 0.14 0.04 0.04 0.24 0.16 0.04 0.37 0.13 -0.06 -0.00 0.02 -0.04 0.06 0.02 0.14 0.47 0.21 0.04 0.47 0.29 0.04 -0.08 -0.03 0.04 -0.08 -0.03 0.04 -0.08 -0.03 0.01 0.01 -0.00 0.04 -0.04 -0.02 0.04 -0.04 -0.02 -0.01 -0.01 0.05 -0.01 0.01 -0.01 -0.04 -0.04 0.01 -0.02 -0.01 0.00 -0.00 0.03 0.01 0.03 -0.01 -0.02 0.00 0.03 0.01 0.10 -0.04 -0.02 -0.03 -0.04 0.02 -0.09 -0.00 -0.03 -0.00 0.05 0.03 0.07 -0.06 -0.06 -0.03 -0.02 -0.01 0.08 -0.01 0.00 -0.01 -0.02 -0.08 0.04 0.11 0.02 -0.05 -0.01 0.01 0.05 0.21 0.03 -0.06 0.01 0.06 -0.01 -0.02 -0.00 0.04 0.04 -0.04 -0.13 -0.08 0.03 -0.08 0.10 -0.11 -0.09 -0.01 0.03 -0.08 0.03 0.08 0.11 -0.00 0.02 0.08 -0.15 -0.06 0.00 -0.01 -0.00 0.10 0.09 0.18 -0.00 -0.02 -0.00 0.02 -0.05 -0.03 0.07 -0.08 0.06 0.08 0.08 0.05 -0.10 0.30 0.06 -0.06 -0.18 -0.02 -0.08 -0.09 -0.09 -0.14 -0.08 0.01 -0.10 0.13 0.04 -0.24 -0.20 -0.15 0.06 -0.27 -0.16 0.08 -0.16 -0.06 0.07 -0.13 -0.04 0.10 -0.17 -0.06 -0.00 0.07 0.02 0.05 -0.02 -0.02 0.05 -0.02 -0.01 0.01 -0.11 -0.09 0.04 0.19 0.00 -0.09 -0.01 0.05 -0.14 -0.10 0.05 0.02 -0.03 -0.02 0.03 -0.06 -0.05 0.01 -0.02 -0.02 -0.09 0.04 0.01 -0.06 -0.07 0.05 -0.14 0.02 -0.03 0.09 0.03 -0.04 0.10 -0.08 -0.07 0.04 0.04 0.11 0.03 -0.07 0.07 -0.02 -0.01 -0.03 -0.05 -0.07 -0.02 0.04 -0.01 0.00 -0.05 -0.15 -0.02 0.01 -0.06 0.06 0.00 0.02 0.00 -0.04 0.02 -0.03 0.10 0.07 -0.02 -0.01 0.10 -0.17 0.08 0.02 -0.02 0.04 0.01 -0.04 -0.06 -0.02 -0.04 -0.05 0.10 0.04 0.01 -0.01 -0.00 0.13 0.15 0.20 -0.01 -0.05 0.00 0.01 -0.03 -0.02 -0.01 0.10 -0.11 0.19 -0.22 -0.01 0.09 -0.24 -0.00 -0.08 -0.04 0.08 0.01 0.22 0.06 0.09 0.08 -0.01 0.08 -0.09 -0.02 0.07 0.19 0.03 -0.04 0.18 0.15 -0.07 0.13 0.03 -0.05 0.10 0.03 -0.07 0.12 0.04 0.01 -0.06 -0.02 -0.03 0.01 0.01 -0.02 -0.00 0.00 -0.01 -0.16 -0.12 0.04 0.26 -0.00 -0.16 -0.06 0.07 -0.22 -0.16 0.06 0.01 0.04 -0.01 0.10 -0.11 -0.12 0.02 0.05 0.00 0.00 0.01 0.00 0.02 0.02 -0.01 0.09 -0.03 -0.09 0.05 -0.07 -0.03 -0.14 0.08 -0.02 -0.02 -0.06 -0.03 0.04 -0.02 0.00 0.05 0.21 0.06 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.03 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.03 -0.04 -0.00 -0.00 0.00 -0.10 -0.06 -0.15 -0.00 -0.00 0.00 -0.06 -0.09 -0.01 0.05 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.11 0.28 -0.01 0.03 -0.01 -0.02 0.05 0.03 0.09 -0.02 0.03 0.04 -0.01 0.01 0.02 -0.01 0.01 0.08 0.39 0.20 -0.07 -0.13 -0.09 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.38 0.14 0.13 0.29 0.12 -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 -0.03 0.15 -0.10 -0.05 -0.29 0.06 0.21 0.13 -0.06 0.17 0.05 -0.02 -0.02 0.05 0.02 -0.02 0.05 0.02 -0.02 0.05 0.03 -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 0.01 -0.00 0.03 0.01 -0.00 0.02 -0.00 0.01 -0.02 -0.00 0.00 -0.00 0.01 -0.01 0.04 0.00 0.00 -0.00 -0.02 0.01 -0.07 -0.00 -0.00 0.00 -0.03 0.02 -0.10 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.08 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.16 -0.11 0.53 0.22 -0.14 0.71 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.06 0.09 -0.00 0.04 -0.07 -0.06 -0.02 0.01 -0.06 -0.02 0.01 -0.08 -0.07 0.13 -0.00 0.04 -0.11 -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 -0.03 0.02 -0.01 0.01 0.02 -0.00 0.03 -0.02 0.00 -0.05 0.01 0.03 -0.03 0.02 0.01 0.03 0.07 -0.00 0.13 -0.09 0.05 -0.02 0.00 -0.09 -0.02 -0.02 0.05 -0.00 -0.01 -0.01 -0.06 -0.01 -0.11 -0.04 0.05 -0.01 0.00 0.00 0.02 -0.01 0.03 -0.12 0.03 0.01 0.02 0.01 0.01 0.05 0.03 0.01 -0.00 -0.11 0.01 0.11 0.09 -0.07 0.02 -0.01 0.02 0.00 0.01 -0.02 0.00 -0.02 -0.03 -0.03 -0.01 0.00 0.00 0.01 -0.01 -0.01 0.19 -0.03 0.02 0.19 -0.11 0.05 0.20 -0.17 0.56 -0.03 -0.27 -0.17 -0.08 0.35 0.05 -0.04 0.06 -0.11 0.01 -0.00 -0.08 -0.19 -0.06 0.00 0.15 0.13 0.08 0.01 0.01 0.01 -0.02 0.05 0.02 0.00 0.01 0.01 -0.00 -0.01 -0.04 -0.03 0.05 -0.01 0.03 -0.07 -0.05 -0.01 0.04 0.01 -0.02 -0.09 0.01 0.05 0.01 -0.02 0.05 0.03 -0.01 0.01 -0.04 -0.01 -0.03 0.02 0.03 0.00 -0.04 -0.01 0.01 -0.01 -0.02 -0.00 -0.01 0.00 -0.02 0.01 0.00 0.02 -0.00 -0.01 0.02 -0.01 -0.01 -0.02 -0.02 0.00 -0.06 0.04 -0.03 0.01 -0.01 0.04 0.03 -0.01 0.07 -0.01 0.01 -0.01 -0.03 0.05 -0.15 0.02 -0.03 0.01 0.01 -0.01 0.02 0.01 -0.01 0.06 -0.00 -0.01 0.03 -0.01 -0.01 -0.02 -0.01 -0.00 0.01 0.05 -0.00 -0.05 -0.04 0.03 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.02 0.01 0.02 0.01 0.01 0.00 -0.00 -0.01 0.01 0.00 -0.07 0.01 -0.00 -0.11 0.07 -0.02 0.23 -0.12 0.84 0.01 0.13 0.08 0.04 -0.17 -0.03 -0.05 0.02 -0.16 -0.03 0.02 -0.04 0.09 0.04 0.00 -0.07 -0.06 -0.04 0.03 -0.05 -0.01 -0.01 0.01 0.02 0.01 -0.01 0.02 -0.02 0.02 -0.05 -0.06 0.11 0.00 0.03 -0.08 -0.06 0.00 -0.02 -0.01 0.01 0.05 -0.01 -0.02 -0.00 0.01 -0.03 -0.01 0.01 -0.00 0.02 0.01 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.02 -0.03 -0.01 0.01 0.00 -0.00 -0.01 0.01 0.01 -0.02 0.01 0.01 0.01 -0.01 0.00 0.02 0.06 0.02 0.06 -0.00 0.03 -0.02 -0.04 -0.05 -0.03 -0.00 0.00 -0.00 -0.01 -0.00 -0.03 -0.00 0.01 -0.03 -0.08 -0.07 -0.01 0.01 0.00 0.02 0.11 0.01 0.02 0.02 -0.00 0.00 -0.01 0.03 0.04 0.01 -0.01 -0.05 -0.04 0.01 0.04 0.03 0.03 -0.01 0.01 0.00 0.01 -0.02 -0.01 -0.01 0.01 -0.02 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.03 -0.04 0.11 -0.08 -0.01 -0.02 -0.00 -0.01 0.15 0.55 0.21 -0.18 -0.47 -0.26 -0.02 0.04 0.02 0.03 -0.01 -0.02 0.02 0.28 0.15 -0.03 -0.31 -0.14 -0.00 0.03 0.01 -0.00 0.02 0.00 0.01 -0.00 -0.00 0.00 0.01 0.00 0.03 -0.03 -0.02 0.03 -0.03 -0.01 0.00 -0.02 0.01 0.02 0.05 -0.01 -0.02 -0.00 0.01 -0.02 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.16 -0.05 0.13 0.11 -0.12 -0.01 0.11 0.26 -0.04 -0.10 0.11 0.02 0.00 -0.00 0.02 -0.03 0.00 0.03 -0.00 -0.04 -0.03 0.01 0.00 -0.00 0.00 0.01 0.00 0.02 0.00 -0.01 -0.00 -0.03 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.01 0.00 0.02 0.16 -0.01 -0.02 -0.01 0.01 0.02 0.01 -0.01 -0.01 0.03 0.01 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.02 -0.08 -0.05 -0.09 -0.05 0.03 0.06 -0.17 -0.09 -0.09 0.08 -0.08 0.03 -0.09 -0.02 0.01 0.01 0.02 0.02 0.14 0.08 -0.00 -0.02 0.01 0.02 -0.02 -0.01 -0.02 0.01 0.01 0.01 -0.04 -0.03 -0.06 -0.15 -0.06 0.00 -0.02 -0.00 0.00 -0.02 -0.00 -0.01 0.01 0.00 0.00 -0.02 -0.00 -0.02 0.02 0.01 -0.02 0.02 0.01 0.03 0.20 0.00 -0.16 -0.48 0.07 0.18 0.02 -0.07 0.20 0.05 -0.02 0.06 0.03 -0.06 0.24 -0.31 -0.28 0.07 0.03 -0.04 0.06 -0.13 -0.02 -0.01 -0.00 0.01 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.01 -0.04 -0.02 0.08 0.15 -0.06 0.01 0.01 0.03 -0.09 -0.00 0.03 -0.05 -0.07 -0.00 -0.15 0.05 0.05 -0.00 -0.01 0.05 -0.09 0.05 0.04 -0.00 -0.04 0.01 0.05 0.06 -0.00 0.00 0.02 -0.02 0.20 0.06 -0.05 0.00 0.02 0.00 -0.02 0.02 -0.02 -0.05 0.00 0.02 0.00 -0.13 -0.02 0.01 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.01 0.03 -0.05 0.10 -0.03 0.30 0.02 -0.20 0.08 0.06 -0.03 -0.06 0.04 0.09 0.14 0.09 -0.19 0.20 0.11 0.21 -0.05 -0.08 -0.06 -0.12 -0.10 -0.01 0.01 -0.05 0.01 0.19 0.06 -0.01 0.21 0.02 0.15 -0.16 -0.07 -0.02 0.21 0.05 0.25 -0.20 -0.14 0.26 -0.21 -0.10 0.00 0.02 -0.00 -0.02 -0.05 0.01 0.02 -0.00 -0.01 0.02 0.00 -0.00 0.00 0.01 -0.00 0.02 -0.02 -0.02 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.03 -0.00 0.00 -0.01 -0.01 0.01 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.04 0.02 -0.12 -0.00 -0.00 -0.00 0.03 -0.02 0.10 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.02 -0.00 0.00 -0.01 0.00 -0.00 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 0.03 -0.01 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.15 0.71 -0.17 0.11 -0.55 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.08 0.10 0.00 0.05 -0.08 -0.07 -0.02 0.01 -0.07 0.01 -0.01 0.03 0.02 -0.05 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 -0.00 -0.00 0.00 -0.01 -0.02 -0.01 0.02 0.02 -0.02 0.00 -0.00 -0.00 -0.04 -0.06 0.02 -0.01 0.02 -0.00 -0.00 0.01 0.02 -0.00 0.01 0.04 0.02 0.02 -0.02 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.09 -0.03 0.01 -0.00 -0.00 -0.02 -0.09 -0.05 0.00 -0.00 0.00 0.02 0.02 -0.03 -0.02 -0.01 0.00 0.02 0.06 0.02 -0.00 0.07 0.03 0.01 0.00 -0.00 0.00 0.01 0.00 0.02 0.01 0.01 -0.02 -0.02 0.01 0.00 0.01 -0.00 -0.07 0.10 -0.08 0.09 -0.12 -0.03 0.01 0.00 0.00 0.11 0.46 0.21 0.11 0.51 0.24 0.02 -0.01 -0.01 -0.02 -0.00 0.01 -0.06 -0.33 -0.14 -0.11 -0.35 -0.14 -0.00 -0.03 -0.01 -0.00 -0.03 -0.00 -0.03 0.03 0.01 0.01 -0.03 -0.01 -0.02 0.02 0.01 -0.03 0.02 0.01 -0.01 0.03 0.00 -0.03 -0.07 0.01 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.03 0.00 -0.05 0.05 0.06 -0.01 -0.02 -0.01 -0.01 -0.01 0.00 -0.05 -0.13 0.01 -0.02 0.04 0.01 0.18 0.17 -0.11 0.02 -0.14 0.01 0.01 -0.00 -0.01 0.02 0.02 -0.01 -0.06 0.06 0.13 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.13 0.00 0.00 -0.00 -0.02 -0.06 -0.08 0.00 -0.00 0.00 -0.12 -0.13 0.09 -0.00 -0.00 0.00 -0.02 0.03 0.06 0.10 -0.01 0.04 0.01 0.00 0.00 0.00 0.00 -0.00 -0.12 -0.05 0.00 0.12 0.13 -0.04 -0.05 0.03 0.05 0.02 -0.01 0.01 -0.04 0.04 0.00 0.01 -0.01 -0.00 0.11 0.30 -0.01 0.10 0.38 0.13 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.07 -0.24 -0.05 0.08 -0.14 -0.04 -0.01 -0.02 -0.00 0.01 -0.04 -0.01 -0.03 0.03 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.17 0.00 0.17 0.41 -0.07 -0.07 0.07 0.03 -0.08 0.07 -0.01 -0.03 0.12 0.02 0.15 -0.13 -0.16 -0.00 0.11 0.06 0.07 0.12 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.10 -0.13 0.03 -0.00 0.00 -0.00 0.08 0.02 -0.02 -0.04 -0.04 0.00 0.04 0.02 -0.01 -0.00 0.01 -0.04 -0.03 -0.02 0.00 -0.01 -0.01 -0.01 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.03 0.01 -0.01 0.02 -0.01 -0.02 0.02 0.01 0.02 -0.10 -0.06 0.02 -0.06 -0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.11 -0.00 -0.09 0.01 -0.19 -0.01 -0.02 0.06 0.02 -0.01 0.05 -0.02 -0.01 0.08 0.04 -0.01 0.04 0.01 0.03 -0.03 -0.02 0.06 0.04 0.04 -0.03 -0.13 0.01 0.07 0.33 0.11 0.01 0.39 0.02 0.35 -0.41 -0.18 -0.09 0.32 0.09 0.16 -0.07 -0.09 0.18 -0.08 -0.04 -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 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.02 -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 0.04 0.03 0.00 0.01 0.00 -0.01 -0.05 -0.02 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.10 -0.04 0.02 0.09 0.04 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 0.03 -0.06 0.04 -0.04 0.07 0.02 -0.00 -0.01 -0.00 -0.07 -0.29 -0.12 0.09 0.28 0.13 -0.01 -0.00 0.00 0.00 0.01 0.00 0.12 0.56 0.25 -0.13 -0.52 -0.26 -0.01 -0.04 -0.01 -0.00 -0.04 -0.00 -0.04 0.05 0.02 0.01 -0.04 -0.01 -0.02 0.00 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.09 -0.04 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.05 -0.09 -0.01 -0.01 0.13 0.17 -0.00 0.02 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.03 0.03 -0.00 0.01 0.09 -0.06 0.00 -0.01 -0.00 -0.01 0.02 -0.01 0.02 0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.03 -0.02 -0.03 0.04 -0.03 0.04 0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.23 0.51 -0.29 0.32 -0.46 -0.13 -0.02 0.06 0.03 -0.08 -0.21 -0.20 -0.11 -0.03 -0.02 0.04 0.01 -0.01 -0.01 -0.03 -0.01 0.12 0.08 0.08 -0.00 -0.06 0.13 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.03 0.10 0.03 0.04 -0.01 -0.03 0.05 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.01 -0.01 0.00 0.00 0.11 0.08 -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 0.01 -0.08 -0.09 0.04 -0.00 0.01 -0.00 0.02 0.01 -0.01 0.01 0.03 0.01 -0.11 -0.06 0.02 -0.01 0.02 -0.04 -0.02 0.04 0.02 -0.01 0.00 0.00 -0.12 -0.07 0.02 0.00 -0.00 -0.00 0.12 0.06 -0.02 0.03 0.01 -0.02 0.02 -0.02 0.02 0.09 0.05 -0.02 -0.01 -0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.16 0.04 -0.11 0.09 -0.17 -0.01 -0.18 -0.02 0.05 -0.04 0.04 -0.03 -0.06 -0.01 0.01 -0.33 0.05 0.12 0.13 0.28 0.01 0.05 -0.04 -0.01 0.00 -0.01 0.09 -0.05 -0.32 -0.10 -0.02 -0.34 0.01 -0.30 0.36 0.17 -0.02 0.10 0.03 0.11 -0.08 -0.06 0.11 -0.08 -0.04 -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 -0.05 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 0.02 0.02 -0.02 0.00 -0.00 0.00 -0.00 -0.03 -0.01 0.00 0.00 0.00 0.11 -0.00 -0.03 0.01 -0.02 0.02 -0.00 -0.03 -0.01 0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 0.00 -0.00 -0.03 0.02 0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.01 0.04 0.03 -0.01 -0.13 -0.04 0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.11 -0.02 0.05 -0.06 0.06 0.01 0.29 -0.10 -0.10 0.04 0.00 0.02 0.04 0.01 -0.01 0.02 0.01 -0.00 -0.03 0.09 0.02 -0.02 0.01 0.01 -0.01 0.01 -0.05 -0.03 -0.14 -0.04 -0.01 -0.15 0.00 -0.15 0.18 0.08 -0.19 0.61 0.17 0.29 -0.10 -0.18 0.33 -0.16 -0.07 -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 -0.01 -0.01 -0.10 0.34 0.16 -0.01 0.05 -0.01 -0.03 -0.11 0.00 -0.05 -0.17 0.02 -0.01 -0.01 -0.01 -0.01 0.01 0.03 0.07 0.03 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.03 -0.02 0.04 0.00 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 0.00 0.06 -0.03 -0.03 0.00 -0.00 -0.00 -0.01 -0.01 0.02 -0.08 0.03 -0.02 -0.00 -0.01 0.01 0.01 0.00 -0.01 -0.15 -0.12 0.07 0.15 0.17 -0.05 0.14 -0.25 -0.18 -0.05 0.09 -0.06 0.08 -0.11 -0.02 -0.03 0.02 0.01 0.10 -0.06 0.02 0.07 0.03 -0.03 0.00 0.00 -0.02 0.00 -0.02 0.00 0.03 -0.04 0.07 -0.08 0.03 -0.02 -0.02 0.06 0.01 0.02 -0.01 -0.03 0.02 -0.03 -0.03 0.01 -0.04 -0.00 -0.01 -0.01 0.01 -0.02 0.02 0.01 -0.12 -0.23 0.02 0.20 0.44 -0.07 -0.05 0.12 0.03 -0.07 0.09 -0.01 0.11 0.05 -0.07 0.15 -0.24 -0.17 0.10 0.05 -0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.06 0.00 -0.01 0.03 0.00 -0.00 0.00 -0.04 0.02 -0.11 0.00 0.00 -0.00 -0.01 0.00 -0.02 0.00 -0.00 0.00 0.01 -0.01 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.07 0.04 -0.02 0.13 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.07 0.01 -0.00 -0.00 0.01 0.00 -0.00 0.03 -0.02 0.10 -0.04 0.02 -0.14 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.20 -0.25 -0.02 -0.14 0.21 0.18 0.05 -0.03 0.16 -0.07 0.03 -0.28 -0.22 0.51 0.00 0.11 -0.45 -0.28 -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 0.02 -0.03 0.02 -0.11 0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.02 0.01 -0.07 -0.01 -0.00 0.01 0.01 -0.01 0.04 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 0.04 -0.03 0.12 0.02 -0.01 0.07 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 -0.02 0.01 -0.08 -0.04 0.01 0.00 -0.04 0.00 0.02 -0.06 0.03 -0.17 -0.02 0.02 -0.06 -0.00 0.01 -0.03 0.01 -0.01 0.02 -0.35 0.43 0.03 0.25 -0.35 -0.31 -0.08 0.04 -0.27 -0.05 0.03 -0.16 -0.12 0.29 -0.00 0.07 -0.26 -0.16 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 -0.01 0.01 -0.01 0.05 0.02 -0.00 0.01 0.00 -0.00 -0.03 -0.01 0.00 0.00 -0.00 -0.02 0.02 0.01 0.05 -0.01 -0.04 -0.04 0.01 -0.00 -0.02 -0.00 0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.10 0.04 -0.04 0.00 -0.00 0.01 -0.08 -0.04 0.11 0.01 0.01 -0.01 0.03 -0.01 0.00 -0.02 -0.00 0.00 0.10 0.04 -0.14 0.15 -0.07 0.07 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.02 -0.03 -0.02 0.13 -0.12 0.09 -0.02 0.15 0.04 0.08 -0.03 -0.03 -0.51 0.13 0.07 -0.48 0.04 0.23 0.04 -0.01 0.01 -0.02 -0.03 0.00 -0.06 0.17 -0.34 0.09 -0.15 0.23 0.04 -0.05 -0.00 -0.03 0.04 0.04 0.00 0.00 0.04 -0.00 0.01 0.02 0.01 -0.03 -0.00 0.00 0.02 0.01 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.01 0.02 -0.01 0.02 -0.04 -0.03 0.01 0.02 -0.01 0.00 0.00 0.01 -0.02 0.13 0.05 -0.04 0.02 0.01 0.03 -0.07 -0.03 0.10 0.12 -0.03 0.04 -0.05 0.07 -0.02 0.02 -0.06 -0.09 -0.05 0.20 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.04 0.08 -0.16 0.00 0.00 -0.00 0.01 0.06 -0.14 0.00 0.00 -0.00 -0.06 -0.10 -0.02 -0.01 -0.00 0.00 -0.02 -0.03 0.08 0.05 -0.03 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 0.07 0.06 -0.02 -0.08 -0.13 0.02 0.03 -0.08 -0.04 -0.04 -0.11 0.05 -0.11 0.18 0.02 0.02 -0.01 -0.00 -0.11 0.10 -0.14 0.37 0.04 -0.22 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.22 -0.21 0.33 -0.05 -0.11 0.27 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.20 0.19 -0.07 -0.08 -0.14 0.04 -0.02 -0.08 0.02 -0.03 -0.11 0.02 0.02 0.09 -0.02 0.09 -0.12 -0.11 0.03 0.09 -0.00 0.03 0.01 0.00 0.00 -0.05 -0.01 0.02 -0.02 -0.01 -0.02 0.02 0.03 -0.06 -0.06 -0.01 0.01 -0.02 0.04 -0.02 -0.00 -0.04 0.08 -0.03 -0.02 -0.05 -0.03 0.01 0.00 -0.04 -0.01 0.02 0.04 0.00 -0.07 0.03 -0.03 -0.01 0.02 0.01 0.03 0.03 -0.08 0.01 0.02 0.00 0.04 0.08 -0.04 -0.03 -0.02 0.00 0.04 -0.01 0.01 -0.04 -0.01 0.04 0.00 0.02 0.00 0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.04 0.07 0.04 0.00 0.04 0.00 -0.01 -0.07 0.02 0.01 0.14 0.02 0.13 -0.02 -0.04 -0.43 0.08 0.06 0.17 -0.01 -0.13 -0.03 0.04 0.02 -0.03 -0.19 -0.03 0.25 -0.16 0.23 -0.21 -0.15 0.43 -0.02 -0.01 -0.01 -0.01 -0.01 0.01 -0.05 0.07 0.03 0.01 -0.03 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.14 -0.11 0.02 -0.00 0.02 -0.12 -0.06 -0.17 -0.05 0.08 0.25 -0.10 -0.00 -0.08 0.01 -0.08 0.10 0.09 -0.01 -0.08 -0.02 0.02 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 0.07 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.02 -0.00 -0.01 -0.02 -0.02 0.00 -0.00 -0.02 -0.00 0.01 0.02 0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.02 0.00 0.01 0.00 0.01 0.02 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.03 0.00 -0.13 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.02 0.03 0.01 0.06 -0.00 -0.02 -0.09 0.02 0.01 0.04 -0.00 -0.03 -0.04 0.04 0.02 -0.02 -0.13 -0.02 0.06 -0.04 0.05 -0.04 -0.03 0.09 -0.02 0.00 -0.01 -0.01 -0.01 0.01 -0.03 0.04 0.02 0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.09 0.07 0.01 0.31 0.24 0.60 0.10 -0.13 -0.54 0.27 -0.00 -0.01 0.01 -0.02 0.02 0.02 0.00 -0.02 -0.01 -0.09 -0.04 0.02 0.00 -0.02 -0.00 0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.02 -0.02 0.02 0.02 -0.01 0.02 0.03 0.04 -0.03 0.03 -0.02 -0.00 0.09 0.07 -0.01 0.00 0.11 0.02 -0.05 -0.11 -0.01 -0.03 0.01 -0.01 0.02 -0.04 -0.01 0.01 0.02 -0.03 -0.01 -0.07 -0.01 0.02 0.03 -0.02 0.05 0.07 -0.00 0.01 -0.01 0.01 -0.01 -0.01 0.02 -0.02 -0.06 -0.01 -0.03 0.02 0.01 -0.01 -0.01 0.00 0.00 0.02 -0.03 0.00 0.01 -0.00 -0.01 -0.06 0.04 -0.11 0.06 -0.01 -0.24 -0.01 0.06 -0.22 0.03 0.04 0.07 0.00 -0.05 0.25 -0.22 -0.12 0.06 0.65 0.11 0.08 -0.05 0.08 -0.09 -0.08 0.20 0.06 0.03 0.02 0.03 0.05 -0.04 0.15 -0.20 -0.08 -0.04 0.09 0.03 0.01 0.01 -0.01 0.01 0.01 0.01 -0.05 -0.04 0.03 0.02 0.01 0.06 0.05 0.13 0.01 -0.01 -0.08 0.05 -0.00 -0.04 0.01 -0.03 0.04 0.04 -0.00 -0.05 -0.02 0.07 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 -0.02 -0.00 -0.01 -0.02 -0.02 0.01 -0.01 0.01 -0.00 -0.09 -0.00 0.02 0.04 -0.05 -0.02 -0.02 0.03 0.01 0.01 0.00 -0.00 -0.05 0.12 0.04 0.00 -0.00 0.01 0.05 -0.10 -0.04 -0.00 -0.01 0.00 -0.08 0.08 0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.02 0.01 0.03 -0.06 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.02 -0.03 0.03 -0.03 0.11 -0.00 0.01 0.35 -0.18 -0.14 0.07 -0.01 -0.02 -0.00 -0.01 0.01 0.49 -0.37 -0.23 -0.08 0.41 0.11 0.02 -0.01 0.01 0.02 0.02 -0.05 -0.02 0.07 0.02 -0.02 0.08 0.02 -0.01 0.01 0.01 0.03 -0.10 -0.03 0.06 -0.09 -0.03 0.06 -0.08 -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 0.05 -0.07 -0.12 -0.03 -0.00 -0.06 -0.11 0.11 0.06 0.01 0.00 -0.00 0.04 -0.01 0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -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 -0.09 0.02 -0.10 -0.00 0.01 -0.01 0.02 -0.01 -0.00 0.05 -0.03 -0.03 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.08 -0.06 -0.04 -0.01 0.06 0.02 0.01 -0.01 0.01 0.01 0.01 -0.02 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.01 -0.02 -0.00 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.23 0.36 0.51 0.19 -0.05 0.21 0.46 -0.40 -0.25 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.00 -0.01 -0.00 0.00 0.00 0.03 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 0.03 -0.04 -0.02 -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 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.32 -0.04 -0.08 0.29 -0.04 -0.07 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.39 0.29 -0.41 -0.22 -0.20 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 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.06 -0.05 -0.01 -0.00 0.01 0.00 -0.08 0.13 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 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 0.11 -0.11 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.01 -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 -0.32 -0.01 0.10 0.22 0.53 -0.08 -0.41 -0.13 0.23 -0.47 -0.19 0.00 0.00 -0.02 0.00 -0.02 0.02 0.02 0.00 -0.03 -0.01 -0.00 -0.00 -0.00 0.08 0.02 -0.06 0.00 -0.00 -0.00 -0.03 0.00 0.02 0.00 0.01 -0.00 -0.06 0.03 -0.03 0.03 -0.01 0.01 0.03 0.01 -0.05 -0.00 0.01 0.00 -0.01 0.03 0.01 -0.00 -0.01 -0.00 -0.03 -0.00 0.02 -0.00 0.00 0.00 0.04 -0.01 0.01 -0.01 0.00 0.00 -0.03 0.01 0.03 0.01 -0.01 -0.00 0.03 -0.00 -0.01 -0.03 0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.11 -0.08 0.08 0.09 0.01 0.01 0.07 -0.02 0.01 0.08 -0.06 -0.04 -0.11 0.01 0.04 0.17 -0.03 -0.02 -0.01 0.00 0.00 0.01 -0.06 -0.02 0.11 -0.06 0.08 -0.07 -0.03 0.11 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.02 -0.03 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.02 -0.00 -0.02 -0.01 0.01 -0.02 -0.01 -0.00 -0.07 0.43 0.02 0.34 -0.42 -0.39 0.06 0.41 0.17 0.01 -0.02 -0.01 -0.03 -0.01 0.03 -0.01 0.01 0.00 0.02 0.01 -0.01 0.02 0.01 -0.01 -0.09 0.04 -0.03 0.02 -0.02 0.02 -0.01 0.02 -0.01 -0.00 0.07 0.01 -0.06 0.18 0.05 -0.00 -0.06 -0.01 -0.02 0.00 0.00 -0.04 0.07 0.03 0.02 -0.02 0.02 -0.05 0.00 0.02 -0.01 -0.03 0.01 0.05 -0.04 -0.02 0.03 -0.00 -0.01 -0.01 0.00 -0.00 0.02 -0.08 -0.02 0.01 -0.02 -0.01 -0.01 -0.01 0.00 -0.00 -0.02 0.00 0.04 0.03 -0.03 0.15 0.06 0.01 0.08 -0.04 0.01 0.50 -0.36 -0.22 0.05 -0.00 -0.01 0.19 -0.03 -0.01 0.01 -0.02 -0.01 0.04 -0.41 -0.09 0.10 -0.05 0.06 -0.03 -0.01 0.04 0.07 -0.08 -0.01 0.05 -0.07 -0.06 0.13 -0.17 -0.07 0.02 -0.07 -0.02 0.04 -0.04 -0.01 0.03 -0.04 -0.02 0.09 0.06 -0.03 0.00 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.03 -0.16 -0.01 -0.12 0.15 0.14 -0.02 -0.15 -0.06 0.01 -0.00 -0.01 0.04 0.00 -0.03 0.02 -0.03 -0.00 -0.02 -0.03 0.01 -0.05 -0.03 0.02 0.18 -0.09 0.08 -0.09 0.05 -0.02 -0.01 -0.05 0.07 0.00 0.03 0.00 -0.04 0.10 0.03 0.00 -0.03 -0.01 0.06 0.00 -0.03 -0.03 0.06 0.02 -0.07 0.04 -0.05 -0.03 -0.01 0.01 0.05 0.08 -0.03 0.02 -0.02 -0.01 -0.07 0.01 0.02 0.04 -0.01 -0.00 0.01 -0.04 -0.01 0.01 -0.02 -0.01 0.04 0.02 -0.00 0.01 0.05 -0.01 -0.04 -0.02 0.03 -0.16 0.04 -0.05 -0.28 -0.00 -0.05 0.30 -0.21 -0.12 -0.00 -0.01 -0.01 -0.42 0.07 0.02 0.05 -0.05 -0.03 0.01 -0.28 -0.06 -0.23 0.12 -0.14 0.09 0.04 -0.14 0.04 -0.05 -0.01 0.03 -0.05 -0.03 0.07 -0.10 -0.04 0.01 -0.05 -0.01 0.04 -0.04 -0.02 0.04 -0.04 -0.02 -0.24 -0.15 0.08 -0.01 -0.03 0.01 0.02 0.04 -0.02 0.02 0.02 0.01 -0.03 0.16 0.01 0.11 -0.13 -0.12 0.02 0.14 0.06 0.02 0.00 0.03 0.01 -0.00 -0.01 0.01 -0.02 -0.00 -0.00 -0.02 -0.00 -0.04 -0.03 0.01 -0.10 -0.01 0.05 0.02 -0.02 -0.04 -0.07 -0.00 0.03 -0.07 -0.01 0.02 -0.02 0.04 0.01 -0.01 -0.01 -0.00 0.02 0.02 -0.05 0.05 -0.06 -0.03 0.00 -0.01 0.02 0.00 0.04 0.01 0.04 0.05 -0.03 0.01 -0.03 -0.01 0.01 0.01 -0.02 0.02 -0.01 0.00 0.01 -0.02 -0.01 -0.02 0.02 0.01 0.04 0.03 -0.01 0.00 0.04 -0.01 -0.01 -0.00 0.00 -0.31 -0.22 -0.01 0.61 0.34 0.14 -0.00 -0.02 0.01 0.37 -0.03 -0.15 0.02 -0.02 0.01 0.10 -0.01 -0.03 0.02 0.08 0.01 0.07 -0.04 0.04 0.07 0.03 -0.11 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.02 -0.03 -0.01 -0.02 0.07 0.02 -0.02 0.04 0.00 -0.01 0.04 0.02 -0.21 -0.14 0.07 -0.01 -0.04 0.01 0.02 0.02 -0.02 0.02 0.01 0.01 -0.01 0.02 0.01 0.01 -0.01 -0.01 0.00 0.02 0.01 0.05 0.01 0.01 -0.01 -0.01 0.00 -0.02 0.04 0.00 -0.00 0.04 0.01 0.07 0.04 -0.02 0.07 -0.05 0.03 -0.05 0.01 -0.03 0.14 0.02 -0.09 -0.11 -0.03 0.02 -0.03 0.06 0.02 -0.02 -0.00 0.01 0.03 -0.02 0.02 0.06 -0.05 -0.03 0.02 0.01 -0.05 -0.00 0.06 0.01 -0.06 -0.06 0.04 0.02 -0.04 -0.01 -0.03 0.02 -0.01 -0.05 0.00 0.02 0.01 -0.03 -0.01 -0.02 0.02 0.01 -0.08 -0.06 0.02 0.00 -0.07 0.01 -0.00 -0.00 -0.00 -0.34 -0.10 -0.07 0.29 0.21 0.06 0.02 -0.03 0.00 -0.13 -0.01 0.06 -0.46 0.09 0.06 0.21 -0.06 -0.08 0.03 0.08 0.01 -0.06 0.02 -0.03 -0.09 -0.02 0.10 0.02 -0.03 -0.01 0.01 -0.03 -0.01 0.04 -0.05 -0.02 -0.03 0.08 0.02 -0.01 0.04 -0.00 -0.00 0.03 0.02 0.41 0.26 -0.14 0.03 0.08 -0.02 -0.04 -0.04 0.04 -0.05 -0.02 -0.03 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.10 -0.01 0.05 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.01 0.02 0.01 -0.01 -0.04 -0.03 0.06 0.03 0.02 -0.04 0.05 0.01 -0.03 0.17 0.07 -0.03 0.02 -0.07 -0.02 0.06 -0.03 -0.03 0.02 0.00 -0.02 -0.10 0.09 0.05 0.03 0.00 -0.02 0.01 -0.10 -0.02 -0.01 -0.00 0.00 -0.03 0.08 0.02 -0.01 0.02 -0.03 -0.02 -0.00 0.01 -0.02 0.03 0.01 0.02 -0.04 -0.01 -0.03 -0.02 0.01 0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.46 -0.28 -0.01 0.34 0.25 0.08 0.05 -0.02 0.01 0.19 -0.03 -0.06 -0.29 0.05 0.05 -0.32 0.08 0.12 -0.05 -0.28 -0.04 0.06 -0.04 0.04 -0.03 -0.00 0.02 -0.01 0.02 0.01 -0.01 0.02 0.00 -0.03 0.04 0.02 0.04 -0.13 -0.03 0.03 -0.07 -0.01 0.03 -0.06 -0.04 0.13 0.08 -0.04 0.01 0.03 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.01 -0.01 0.00 0.01 0.00 0.02 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.02 -0.00 0.00 -0.00 -0.05 0.03 -0.01 0.00 -0.00 0.00 0.13 -0.08 0.09 -0.03 0.04 0.01 0.05 -0.01 -0.02 -0.01 0.00 0.00 -0.09 0.02 0.00 -0.02 -0.06 -0.01 -0.05 0.02 -0.02 0.02 -0.00 -0.01 -0.02 0.00 -0.02 -0.00 -0.02 -0.00 0.04 -0.02 0.02 0.01 0.04 -0.08 -0.01 -0.00 0.00 0.01 0.02 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.25 0.08 0.04 -0.09 -0.05 -0.02 0.21 -0.12 -0.10 0.52 -0.05 -0.14 -0.46 0.08 0.08 -0.26 0.16 0.11 0.00 0.26 0.05 0.07 -0.03 0.04 -0.11 -0.07 0.20 0.02 0.06 0.02 0.01 0.06 -0.01 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.06 0.03 0.04 -0.06 0.03 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 -0.01 0.00 0.01 0.00 -0.02 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.03 0.03 -0.02 0.02 -0.01 -0.01 0.07 -0.04 0.05 0.04 -0.09 -0.03 -0.07 0.01 0.02 0.00 0.01 0.00 -0.06 0.01 0.01 0.04 0.10 0.01 -0.03 0.01 -0.00 -0.03 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.02 0.00 0.03 -0.01 0.01 0.01 0.02 -0.05 0.02 0.01 -0.01 -0.01 -0.03 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.07 -0.03 0.03 -0.02 -0.02 -0.01 -0.40 0.25 0.17 0.26 -0.02 -0.07 -0.18 0.03 0.03 0.48 -0.28 -0.20 0.00 -0.39 -0.08 0.04 -0.02 0.02 -0.06 -0.04 0.11 -0.03 -0.09 -0.03 -0.01 -0.11 0.01 0.02 0.00 -0.01 -0.01 -0.00 0.00 0.09 -0.04 -0.06 0.11 -0.05 -0.02 -0.03 -0.02 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.04 -0.03 -0.02 0.05 -0.00 -0.01 -0.05 0.01 0.02 -0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.09 -0.04 0.07 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.02 -0.03 0.01 0.01 -0.00 -0.05 0.01 0.02 -0.00 0.00 0.00 0.14 0.22 -0.07 -0.00 -0.00 -0.00 0.02 -0.01 0.02 0.04 -0.00 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.16 -0.16 0.06 0.04 -0.06 -0.00 -0.02 0.01 0.02 0.06 0.01 0.02 -0.05 -0.02 -0.01 -0.02 0.01 0.01 0.15 -0.00 -0.07 0.21 -0.06 -0.06 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.08 0.02 -0.08 0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.66 0.41 -0.23 0.09 0.19 -0.04 -0.05 0.02 0.08 -0.07 0.04 -0.07 -0.02 0.06 0.02 0.00 -0.01 -0.01 -0.02 0.06 0.03 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.09 -0.04 0.18 -0.01 0.00 -0.03 -0.06 0.04 -0.06 0.02 -0.07 -0.02 0.07 0.03 -0.01 -0.05 0.04 0.02 0.08 -0.00 -0.04 0.04 0.05 -0.00 0.14 -0.01 -0.04 -0.05 0.01 0.02 0.01 0.01 -0.00 -0.01 -0.05 -0.01 -0.07 0.07 -0.11 -0.04 -0.03 0.09 -0.02 0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.60 0.12 0.15 -0.30 -0.04 -0.04 -0.05 0.04 0.01 0.28 -0.02 -0.08 -0.37 0.06 0.08 -0.02 -0.01 0.00 -0.01 0.04 0.01 0.23 -0.14 0.20 -0.00 -0.00 -0.00 0.05 0.03 0.03 0.02 0.04 -0.04 0.03 -0.04 -0.02 -0.01 0.02 0.01 0.04 -0.00 -0.03 0.05 -0.01 0.00 0.03 0.02 -0.01 0.00 0.01 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 -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 0.04 0.02 -0.08 0.02 0.01 0.00 0.03 -0.01 0.02 0.05 -0.15 -0.04 0.28 0.10 -0.06 -0.14 0.07 0.05 -0.03 0.00 0.02 0.16 0.18 -0.02 -0.06 0.01 0.02 -0.15 -0.02 0.04 -0.01 -0.01 0.00 -0.07 -0.15 -0.01 0.03 -0.03 0.05 0.02 0.01 -0.04 -0.08 -0.01 0.02 -0.03 -0.06 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.32 -0.12 -0.05 0.23 0.07 0.03 0.13 -0.07 -0.03 -0.14 0.01 0.04 0.18 -0.03 -0.04 -0.33 0.08 0.12 -0.08 0.08 0.04 -0.10 0.06 -0.09 0.00 0.00 -0.01 0.21 0.14 0.12 0.10 0.20 -0.16 0.09 -0.13 -0.04 -0.04 0.10 0.03 0.15 0.01 -0.14 0.20 -0.02 0.03 -0.04 -0.02 0.02 -0.00 -0.00 0.01 0.01 0.01 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.03 0.01 0.00 -0.12 -0.01 -0.02 0.02 -0.01 0.01 0.02 -0.00 -0.00 0.01 0.01 -0.00 0.02 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.03 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.02 0.06 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.53 0.22 0.08 0.52 0.19 0.08 -0.11 0.07 0.03 -0.11 0.03 0.02 0.04 0.00 -0.02 -0.05 0.02 0.02 -0.00 0.01 0.00 -0.09 0.06 -0.08 0.02 0.03 -0.07 0.04 -0.04 0.02 0.02 -0.03 -0.05 0.04 -0.04 -0.02 0.01 -0.24 -0.05 0.15 -0.26 0.06 0.07 -0.21 -0.22 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.00 -0.07 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.03 0.01 0.01 0.01 -0.00 0.01 -0.03 -0.01 0.01 -0.00 -0.01 0.01 0.02 0.00 -0.01 0.00 -0.00 0.00 -0.03 -0.01 -0.00 -0.00 -0.00 -0.01 0.04 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.03 -0.11 -0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.31 0.13 0.05 0.27 0.10 0.04 -0.10 0.03 0.03 -0.06 0.02 0.01 0.02 0.00 -0.01 -0.03 -0.01 0.01 -0.02 -0.14 -0.02 -0.05 0.03 -0.04 0.01 0.01 -0.04 -0.02 0.10 -0.00 -0.01 0.08 0.05 -0.07 0.04 0.04 -0.02 0.39 0.08 -0.23 0.45 -0.13 -0.08 0.35 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 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 0.01 0.01 0.03 0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.03 0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.06 -0.12 -0.05 -0.02 0.03 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.03 -0.00 -0.00 -0.04 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.01 -0.09 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.23 0.53 -0.06 -0.11 0.41 0.37 -0.38 0.26 0.22 -0.01 -0.11 -0.02 0.10 -0.10 -0.01 0.08 -0.08 -0.08 0.01 0.01 -0.00 -0.00 -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 -0.00 0.00 0.00 0.05 -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 -0.01 -0.00 0.02 -0.00 0.01 -0.01 0.00 0.00 -0.15 0.13 0.07 0.07 0.00 -0.02 0.02 -0.12 -0.03 -0.00 -0.00 0.01 0.15 -0.00 -0.05 0.01 -0.00 0.00 0.03 -0.09 -0.03 0.00 0.00 0.00 -0.07 0.12 0.05 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.06 0.01 0.02 -0.08 0.03 0.03 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.06 0.04 -0.06 -0.20 -0.03 -0.01 -0.31 0.05 0.09 0.03 -0.01 -0.00 -0.04 0.00 0.01 -0.20 0.03 0.07 -0.10 -0.46 -0.06 0.04 -0.03 0.04 -0.02 -0.02 0.05 0.27 -0.10 0.11 0.15 0.00 -0.27 0.03 -0.05 -0.04 -0.04 -0.20 -0.02 0.25 0.05 -0.18 0.32 0.01 0.02 -0.01 -0.01 0.00 0.01 0.03 0.01 0.01 0.03 0.02 0.02 0.03 -0.02 -0.00 0.02 0.02 -0.02 0.01 0.01 -0.02 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.02 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 -0.00 -0.00 0.00 0.00 0.00 0.00 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 -0.03 0.02 0.01 -0.07 -0.09 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 -0.00 0.02 -0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.02 -0.01 0.01 0.03 0.06 -0.02 -0.06 0.04 -0.03 0.00 0.02 -0.00 -0.01 -0.01 0.01 -0.02 -0.00 -0.01 -0.16 -0.10 0.05 0.07 0.63 -0.02 0.40 0.28 -0.02 0.41 0.27 -0.20 -0.00 0.04 0.03 -0.04 0.02 0.04 -0.02 0.04 0.01 -0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.03 -0.08 -0.04 0.01 0.03 -0.02 0.01 0.03 0.02 -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 0.01 0.00 0.01 -0.01 0.02 -0.01 -0.01 0.04 -0.00 0.02 0.00 -0.02 -0.03 0.01 0.02 -0.01 0.03 -0.01 0.01 -0.02 0.01 -0.00 -0.00 -0.03 0.00 0.00 -0.02 -0.01 0.01 -0.01 -0.06 -0.00 -0.03 -0.03 -0.01 -0.03 -0.03 0.03 -0.01 0.49 0.18 -0.43 0.28 0.42 -0.08 0.49 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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 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 -0.05 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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 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 0.18 0.42 0.08 -0.14 -0.49 0.00 0.24 -0.14 0.64 -0.01 0.01 -0.05 0.03 -0.01 -0.01 -0.04 0.00 0.01 -0.02 -0.01 0.00 0.02 0.07 0.07 -0.01 -0.04 -0.02 0.10 -0.01 0.02 -0.00 -0.02 -0.01 0.02 -0.01 -0.03 -0.00 -0.03 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.03 0.01 -0.04 -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 -0.01 0.01 -0.01 0.01 0.01 -0.02 -0.01 0.01 -0.00 -0.01 -0.02 0.01 0.01 -0.01 0.01 0.05 -0.05 0.15 -0.09 0.03 0.03 0.13 -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 -0.06 -0.46 0.05 0.45 -0.10 0.53 0.11 0.47 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 -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -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 -0.01 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 0.01 0.01 0.03 0.00 -0.01 -0.04 0.01 0.02 -0.01 0.04 0.20 -0.13 0.65 -0.43 0.09 0.19 0.47 -0.08 -0.10 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.02 0.12 -0.02 -0.12 0.03 -0.11 -0.01 -0.09 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.01 -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 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.02 -0.01 0.01 -0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.14 -0.01 0.05 0.11 0.11 -0.12 -0.12 0.08 -0.01 0.00 0.10 0.03 -0.07 -0.08 0.08 -0.10 -0.05 -0.05 0.01 0.01 -0.01 0.13 -0.00 0.64 -0.47 -0.10 0.15 0.41 0.08 -0.05 0.00 -0.00 -0.01 0.00 0.00 0.02 0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.10 0.00 -0.06 -0.04 0.00 0.01 -0.09 0.03 -0.01 -0.01 -0.02 -0.00 0.01 0.02 0.00 0.02 -0.00 -0.01 -0.01 -0.03 0.07 -0.02 0.00 0.01 0.02 -0.04 0.06 -0.01 -0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.00 -0.11 0.05 -0.04 0.09 0.03 -0.11 -0.01 -0.02 0.00 0.03 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.04 -0.02 0.15 0.03 0.02 -0.04 0.03 0.02 0.09 -0.05 0.06 -0.08 -0.03 0.10 0.00 -0.02 -0.00 0.00 -0.03 -0.01 0.25 -0.22 0.35 -0.14 -0.19 0.47 0.18 0.04 0.06 0.11 0.07 -0.14 -0.10 0.07 0.05 0.00 0.21 0.05 -0.14 -0.15 0.16 -0.20 -0.11 -0.11 -0.00 -0.00 0.00 -0.03 -0.03 -0.15 0.09 0.05 -0.01 -0.12 0.01 -0.01 -0.01 -0.10 0.02 0.08 -0.03 -0.00 -0.02 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.04 -0.00 0.02 0.02 -0.00 -0.00 0.04 -0.01 0.01 -0.02 -0.01 0.00 0.01 0.01 -0.00 0.02 -0.01 -0.01 0.00 0.01 -0.03 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 -0.02 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.03 0.00 0.04 -0.02 0.02 -0.04 -0.01 0.04 -0.02 -0.03 -0.00 0.04 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.09 -0.01 -0.00 -0.04 0.03 0.02 -0.03 0.02 -0.02 0.03 0.01 -0.04 0.04 -0.05 -0.02 0.01 -0.10 -0.02 -0.10 0.09 -0.14 0.05 0.07 -0.18 0.35 0.08 0.12 0.20 0.10 -0.28 -0.19 0.12 0.13 -0.00 0.31 0.08 -0.21 -0.24 0.24 -0.30 -0.16 -0.17 0.02 0.01 -0.00 -0.06 -0.07 -0.22 0.12 0.08 -0.01 -0.21 -0.00 -0.01 0.01 0.02 -0.03 -0.01 0.01 0.02 0.04 0.02 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.01 0.03 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 0.02 -0.00 -0.01 0.02 -0.03 -0.00 -0.01 -0.02 -0.01 0.03 0.02 -0.02 -0.01 -0.01 0.01 -0.02 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.02 0.01 -0.01 0.00 0.01 0.00 0.00 0.02 0.01 0.00 0.02 -0.01 0.16 0.11 -0.65 -0.13 0.08 0.16 0.69 0.02 -0.05 -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 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.01 -0.05 -0.01 0.01 0.02 0.02 -0.00 -0.00 -0.00 0.00 -0.06 -0.02 0.02 -0.00 -0.00 0.00 -0.00 0.03 0.01 -0.00 -0.00 0.00 0.03 -0.03 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.00 -0.02 0.00 0.01 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.03 0.03 0.03 -0.02 -0.01 0.04 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.07 -0.01 -0.02 0.03 0.14 0.02 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.38 0.07 0.13 0.23 0.10 -0.30 -0.25 0.18 0.16 0.02 -0.34 -0.08 0.16 0.25 -0.22 0.27 0.18 0.17 0.02 0.01 -0.00 -0.02 -0.11 -0.03 -0.03 0.17 0.13 -0.15 0.14 -0.12 0.01 0.02 -0.03 -0.02 0.01 0.01 0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.03 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.03 0.02 -0.01 0.03 -0.04 -0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.02 -0.01 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.03 0.01 0.01 -0.01 -0.03 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.16 0.02 -0.05 -0.12 -0.09 0.15 0.12 -0.08 0.00 -0.01 0.07 0.02 -0.03 -0.05 0.05 -0.05 -0.04 -0.04 0.07 0.03 -0.02 -0.01 -0.22 0.06 -0.13 0.50 0.38 -0.24 0.46 -0.37 -0.01 0.00 0.03 -0.00 0.00 -0.00 -0.03 0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.04 0.03 -0.04 0.04 -0.07 0.03 -0.02 -0.02 0.05 0.00 -0.02 -0.00 -0.00 0.01 0.00 0.02 0.00 -0.01 0.05 -0.01 -0.01 -0.02 0.01 0.01 0.06 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.02 -0.02 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.07 0.47 -0.50 -0.20 0.51 0.31 -0.04 0.04 0.01 -0.17 0.02 0.04 -0.19 0.02 0.04 -0.02 0.02 0.01 0.00 0.06 0.01 -0.07 0.03 -0.03 -0.06 -0.01 0.06 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.03 -0.01 0.01 0.02 -0.01 0.02 0.01 0.01 0.02 0.01 -0.01 0.00 0.02 -0.00 0.01 -0.02 -0.01 0.01 -0.02 0.01 0.01 -0.02 -0.04 0.01 -0.01 -0.02 0.03 -0.03 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.00 0.00 0.00 -0.08 0.07 -0.09 -0.00 0.03 0.01 -0.05 -0.05 0.12 0.01 0.02 0.00 0.00 -0.03 -0.01 -0.03 0.00 0.01 0.13 -0.02 -0.03 0.02 -0.02 -0.01 0.13 -0.01 -0.03 -0.02 0.01 0.01 0.01 0.04 -0.02 0.00 0.01 0.00 -0.03 -0.02 0.06 -0.04 0.03 -0.04 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.31 0.30 0.25 -0.36 -0.18 0.07 -0.05 -0.03 -0.44 0.05 0.10 -0.44 0.06 0.10 0.06 -0.04 -0.03 0.00 -0.06 -0.01 -0.16 0.07 -0.07 -0.13 -0.04 0.14 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.01 0.02 0.00 -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 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.02 0.01 -0.01 0.02 0.02 -0.00 -0.00 -0.01 0.02 -0.12 -0.14 0.01 -0.03 0.18 0.05 0.16 -0.04 -0.06 0.01 -0.00 -0.01 -0.10 0.11 0.05 0.02 -0.00 -0.01 0.13 -0.07 -0.05 0.00 0.00 -0.00 -0.04 -0.07 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.04 -0.01 0.02 -0.03 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.20 0.16 0.00 -0.21 -0.12 -0.41 0.29 0.18 -0.05 0.01 0.01 -0.06 0.01 0.01 -0.40 0.26 0.18 -0.05 0.35 0.08 -0.03 0.02 -0.02 -0.01 0.01 -0.01 -0.03 -0.01 -0.02 -0.02 -0.01 0.03 0.08 -0.09 -0.05 0.02 -0.03 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.02 0.02 -0.01 0.00 0.02 -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 -0.01 -0.00 -0.00 0.03 -0.00 0.01 -0.01 -0.01 0.19 0.09 -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 0.01 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.05 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.13 -0.12 0.05 -0.03 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.01 -0.01 0.02 0.01 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.68 -0.47 0.20 -0.10 -0.35 0.04 -0.09 0.09 0.08 -0.12 0.08 -0.05 0.01 -0.02 -0.04 0.01 -0.01 -0.01 0.04 -0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.02 0.01 -0.00 -0.00 0.01 0.11 -0.25 0.00 -0.01 0.03 0.12 -0.13 0.21 -0.01 -0.00 0.00 0.03 0.00 -0.01 0.02 -0.00 -0.01 0.05 -0.07 0.13 -0.02 -0.01 0.00 -0.09 0.08 -0.11 -0.03 0.01 0.01 0.01 -0.00 -0.04 0.01 0.01 -0.00 -0.17 0.17 -0.29 0.00 -0.14 0.29 -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 -0.08 0.02 -0.04 0.16 -0.03 0.02 -0.00 0.01 0.01 0.07 -0.09 0.14 0.14 0.05 -0.18 0.03 -0.03 -0.01 0.01 -0.01 -0.01 0.37 -0.21 0.26 0.26 0.07 -0.29 -0.02 0.00 -0.00 -0.01 0.00 0.01 0.02 -0.01 -0.01 0.00 -0.02 -0.01 0.00 0.01 -0.01 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 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.02 0.01 -0.00 -0.01 0.01 -0.01 -0.11 -0.16 -0.00 0.30 0.12 -0.06 0.14 0.06 -0.03 -0.01 0.01 -0.01 -0.24 -0.23 0.03 0.01 -0.01 0.01 -0.22 -0.03 0.06 -0.00 0.00 0.01 0.13 0.24 0.01 0.02 -0.01 0.02 -0.00 0.01 -0.02 -0.03 0.00 0.01 0.01 0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 -0.05 0.02 -0.05 -0.04 -0.03 0.02 0.13 0.02 0.00 0.00 -0.01 -0.02 -0.00 0.01 0.17 -0.28 -0.11 0.13 -0.35 -0.11 -0.03 0.02 -0.03 -0.02 -0.00 0.01 -0.17 0.06 -0.03 -0.12 0.04 0.15 0.18 -0.17 -0.10 0.04 -0.25 -0.06 0.01 0.18 -0.07 0.06 0.15 0.11 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.02 -0.00 -0.03 0.05 0.04 0.02 0.00 -0.01 -0.24 -0.01 0.14 0.04 -0.00 -0.01 0.19 -0.03 -0.03 -0.02 0.02 0.01 0.02 -0.01 -0.01 0.02 -0.02 -0.01 0.33 -0.04 -0.10 -0.01 0.01 0.01 -0.31 0.03 0.10 -0.02 0.02 0.01 0.03 -0.06 -0.04 0.01 -0.02 -0.01 -0.18 0.04 0.01 0.17 0.03 -0.16 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.06 -0.03 0.03 -0.15 -0.02 -0.01 -0.05 0.02 0.01 -0.44 0.06 0.08 0.41 -0.07 -0.06 0.03 -0.01 -0.01 0.01 0.03 0.00 -0.03 -0.08 0.19 0.02 -0.12 0.26 -0.01 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.00 -0.01 -0.04 0.00 -0.01 -0.00 0.00 -0.02 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.03 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.02 -0.01 0.00 -0.00 -0.00 0.03 -0.01 -0.00 -0.01 0.01 0.00 -0.02 0.01 -0.01 -0.10 0.28 0.08 0.15 -0.17 -0.08 0.22 -0.21 -0.10 -0.04 0.01 0.00 -0.09 0.18 0.06 0.03 -0.00 -0.01 -0.23 0.20 0.11 -0.01 0.02 0.02 0.06 -0.28 -0.07 0.02 -0.01 0.01 -0.02 0.00 0.01 -0.02 0.03 0.01 0.01 -0.03 -0.01 -0.01 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.04 -0.01 -0.05 -0.03 -0.41 0.14 0.14 0.05 -0.01 -0.02 -0.04 0.00 0.01 0.34 -0.14 -0.14 0.08 0.32 0.04 -0.01 0.01 -0.03 -0.01 0.01 -0.02 -0.08 0.02 -0.01 -0.05 -0.00 0.06 0.04 -0.02 -0.01 0.01 0.01 0.00 -0.00 -0.05 0.02 -0.02 -0.04 -0.03 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.19 -0.28 -0.04 0.13 -0.25 -0.16 0.07 -0.04 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.06 -0.00 -0.04 0.01 -0.02 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.02 -0.01 -0.01 -0.20 0.23 0.23 -0.00 0.02 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.35 0.43 0.07 0.02 0.03 -0.00 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 -0.01 -0.01 0.01 -0.00 0.00 0.03 0.00 -0.02 -0.02 0.01 0.01 -0.01 -0.02 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 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 0.15 -0.15 -0.03 -0.25 0.03 -0.16 -0.10 -0.01 -0.13 -0.09 0.08 0.02 -0.04 -0.04 -0.01 0.04 0.02 0.03 -0.05 -0.02 0.00 0.00 -0.00 -0.02 0.00 0.02 -0.14 0.17 0.03 0.18 -0.28 -0.22 -0.10 0.03 0.02 -0.06 0.01 0.02 0.01 -0.00 -0.00 0.15 -0.04 -0.05 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.07 -0.01 -0.01 0.00 0.00 -0.00 -0.08 0.02 0.00 -0.00 0.00 0.00 -0.32 0.35 0.32 -0.00 -0.00 -0.00 -0.04 0.02 -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.35 -0.30 -0.10 -0.00 -0.02 0.01 0.01 0.03 -0.00 0.02 -0.01 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.09 0.00 0.03 0.09 -0.02 -0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.03 0.04 0.02 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.17 -0.02 0.05 0.04 0.25 -0.02 0.10 0.04 0.00 0.11 0.05 -0.06 0.02 -0.06 -0.07 -0.02 0.05 0.03 0.06 -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 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.05 -0.01 -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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.02 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.41 -0.08 0.11 0.31 0.24 0.51 0.01 0.42 -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 0.03 -0.00 0.01 -0.01 -0.02 0.00 -0.00 0.01 -0.03 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.22 -0.08 0.71 -0.38 0.08 -0.27 0.28 0.35 -0.03 0.01 0.00 -0.00 -0.01 -0.01 -0.02 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 -0.02 -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 -0.03 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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -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 -0.01 -0.01 -0.02 -0.00 -0.02 0.03 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 -0.01 0.62 -0.02 0.18 -0.18 -0.35 0.09 -0.07 0.14 -0.62 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -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 0.01 0.00 -0.03 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.37 0.08 0.07 0.28 -0.32 0.55 0.03 -0.35 -0.49 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 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 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.15 -0.29 -0.34 -0.00 -0.39 0.79 0.01 0.02 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 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 -0.09 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.02 0.34 0.28 0.54 -0.03 -0.49 0.51 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.03 -0.08 -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 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.20 -0.06 0.58 0.60 -0.12 0.39 -0.18 -0.22 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.02 -0.02 0.04 -0.00 0.02 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -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 -0.09 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.02 -0.04 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.06 -0.01 -0.03 0.28 -0.32 0.51 -0.06 0.44 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 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.08 -0.04 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 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 0.86 0.14 -0.23 0.13 0.10 0.24 -0.01 0.20 -0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.04 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.06 0.01 -0.07 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 -0.04 -0.01 0.01 -0.01 -0.01 -0.02 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.68 -0.01 0.18 -0.01 0.01 -0.01 0.06 -0.17 0.68 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.08 -0.05 -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 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.04 0.01 -0.18 0.39 -0.10 0.28 0.52 0.66 -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 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.03 -0.09 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.30 0.56 0.62 0.01 -0.21 0.40 -0.04 -0.07 0.00 -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -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 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.07 0.03 -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 -0.00 -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 0.26 -0.02 0.08 0.41 0.79 -0.19 -0.04 0.06 -0.27 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.08 0.04 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -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 -0.01 0.01 0.00 0.88 -0.18 -0.18 0.09 -0.10 0.20 0.01 -0.17 -0.24 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.06 -0.00 0.00 0.00 0.00 0.05 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 0.00 -0.00 0.00 -0.00 0.00 0.42 0.71 0.01 -0.53 -0.02 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 0.01 0.02 -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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -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 -0.05 -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 -0.04 -0.01 0.03 0.03 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.02 -0.00 -0.00 0.00 0.11 -0.31 0.63 0.02 -0.05 0.11 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.45 0.07 -0.38 -0.33 0.12 -0.09 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.04 -0.00 0.00 -0.00 0.00 -0.07 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.03 0.05 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.28 0.48 0.01 0.79 0.02 -0.24 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.05 -0.00 0.00 0.00 0.01 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.06 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 -0.01 0.01 -0.00 -0.00 0.00 0.09 -0.26 0.52 -0.05 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 -0.00 -0.16 -0.02 0.13 0.65 -0.24 0.18 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 -0.01 0.04 -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 -0.06 0.16 -0.32 -0.08 0.23 -0.45 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.54 0.08 -0.46 0.27 -0.10 0.08 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -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 -0.04 -0.07 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -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 0.06 0.00 -0.01 0.01 0.50 0.86 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.03 -0.00 -0.04 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -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 0.00 -0.01 0.01 -0.00 0.00 0.00 -0.01 0.03 -0.06 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.02 -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.02 0.05 -0.11 0.11 -0.36 0.70 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.22 0.03 -0.19 0.47 -0.17 0.13 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.54 0.84 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 8 8 8 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 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 46 8 8 8 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 1 1 1 1 15.99491 15.99491 15.99491 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 1.00783 1.00783 1.00783 1.00783 326.16304 0.99994 -1.8E-4 -0.01136 6.5E-4 0.99916 0.04095 0.01134 -0.04095 0.9991 asymmetric 1 0.01680 0.00904 0.00838 0.35001 0.18842 0.17460 988310.7 29.52 36.90 51.91 59.05 71.72 99.55 109.85 116.38 140.08 157.95 161.36 202.03 205.54 221.75 259.51 272.17 287.90 295.73 332.49 352.46 407.86 439.14 454.37 468.71 474.63 496.57 538.10 567.47 603.68 654.29 666.32 677.78 697.89 748.65 774.83 805.85 857.56 866.05 906.39 939.09 1038.66 1049.77 1057.68 1097.29 1104.27 1123.57 1138.63 1164.31 1175.39 1241.04 1249.25 1291.65 1337.34 1347.61 1373.94 1396.72 1428.13 1440.96 1452.49 1463.45 1475.71 1491.36 1502.37 1521.65 1528.88 1531.12 1592.49 1648.69 1652.23 1658.40 1684.79 1686.53 1705.03 1711.28 1746.58 1756.83 1769.43 1786.68 1806.72 1831.08 1879.55 1884.80 1894.45 1921.51 1931.95 2023.73 2027.93 2037.05 2062.43 2089.90 2106.09 2112.39 2116.68 2117.94 2118.66 2121.84 2124.28 2140.87 2143.74 2153.51 2174.95 2178.89 2199.10 2237.77 2317.66 2320.90 2358.97 2364.85 2379.97 2410.73 4342.36 4350.14 4356.78 4370.98 4394.11 4412.10 4422.77 4450.57 4458.74 4465.05 4469.43 4478.99 4518.94 4522.12 4536.80 4553.88 4562.15 4567.10 4583.94 4592.56 4598.35 5202.88 0.376428 0.400777 0.401721 0.320552 -1072.386449 -1072.362100 -1072.361156 -1072.442325 251.491 89.928 170.833 0.000 0.000 0.000 0.889 2.981 43.242 0.889 2.981 34.589 249.714 83.966 93.002 1 0.593 1.986 6.584 2 0.593 1.985 6.141 3 0.594 1.982 5.463 4 0.594 1.981 5.208 5 0.595 1.978 4.823 6 0.598 1.969 4.176 7 0.599 1.965 3.983 8 0.600 1.962 3.869 9 0.603 1.951 3.507 10 0.606 1.941 3.273 11 0.607 1.939 3.231 12 0.615 1.913 2.798 13 0.616 1.910 2.765 14 0.620 1.898 2.621 15 0.629 1.866 2.325 16 0.633 1.855 2.236 17 0.638 1.840 2.132 18 0.640 1.832 2.083 19 0.653 1.793 1.870 20 0.660 1.771 1.766 21 0.682 1.704 1.513 22 0.696 1.664 1.388 23 0.703 1.643 1.332 24 0.710 1.624 1.281 25 0.713 1.616 1.261 26 0.724 1.585 1.188 27 0.745 1.525 1.063 28 0.761 1.482 0.983 29 0.782 1.428 0.893 30 0.813 1.350 0.782 31 0.821 1.332 0.757 32 0.828 1.314 0.735 33 0.841 1.283 0.697 34 0.875 1.205 0.609 35 0.894 1.165 0.568 36 0.916 1.118 0.524 37 0.954 1.040 0.457 38 0.960 1.028 0.446 0.502083e+26 25.700776 59.178223 0.268115e+11 10.428321 24.012097 0.100000e+01 0.000000 0.000000 0.231529e+09 8.364606 19.260217 0.808813e+07 6.907848 15.905908 ctanol ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -3.0704 5.1154 0.6187 5.9981 -131.1517 -137.3588 -137.5321 8.8756 -11.4417 1.6320 4.1958 -2.0113 -2.1846 8.8756 -11.4417 1.6320 33.9910 57.3479 19.2240 -53.1364 -6.9402 3.3631 21.3669 20.5171 14.5881 0.0437 -5288.0531 -2348.0839 -1736.3564 -43.7269 -156.5461 116.1059 89.9682 -63.7078 1.3729 -1383.8317 -1253.7748 -629.5846 -26.1372 -19.8204 56.2056 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -1072.7628771 5.296E-9 6.302E-5 0.3764277 0.4007768 -1072.3621004 -1072.3611562 -1072.4423246 -8.8706236,8.7580718,0.1125519,-5.5629743,-3.1184735,2.5114479 C01 [X(C19H22N2O3)] 1.8236858 0.6324256 -1.3576033 -1.5123199 1.077122 0.179842 1.1852342 -1.7459893 -0.178247 0.1896224 -0.1087596 -0.5688443 -0.5191776 -0.115305 0.3899805 -0.6134776 -1.1373662 1.250862 0.3979975 0.2645903 -1.140436 -1.5239679 0.1701695 0.5442521 -0.3004208 -0.9262096 0.2620931 0.6576715 0.0413029 -0.9697674 -0.1560636 0.3505622 -0.1352036 0.609039 0.3407215 -1.211198 -0.1668177 -0.4364745 0.0257363 -0.9255146 0.4194247 0.1605515 0.4398426 -1.2520287 -0.0944437 0.1951748 -0.1494224 -0.5841939 -0.0002491 -0.0068585 0.0453389 -0.0980383 -0.0358468 0.0592151 -0.0138116 0.036669 -0.0277902 0.7023889 -0.2193559 0.1096251 -0.5044802 1.1878912 -0.0234073 0.355113 -0.2688397 0.3678891 0.0256249 -0.0414057 0.0823891 -0.008388 -0.1110068 0.0336809 0.0415663 0.0740188 0.011613 1.1653433 -1.0072778 -0.2570606 -1.01712 1.0826629 0.3039828 -0.4548719 0.4098634 0.2243869 -0.073238 0.1241936 -0.161851 0.3903627 -0.3566487 -0.2016806 -0.2454762 0.0237489 0.1252929 -0.4809896 0.2091379 0.0489077 -0.0411354 -0.1403577 0.0146533 0.1721671 -0.216304 -0.2716441 -0.0814843 0.0769727 0.0432991 0.1232221 -0.0615783 0.0593198 0.061108 0.0834214 -0.0946906 0.1678787 -0.0797079 -0.2252911 0.071156 0.2307064 -0.2344285 -0.3113386 -0.1057539 0.2140918 0.012552 0.0198349 0.0007603 0.1210823 -0.0031374 -0.013477 0.0388648 0.0856045 -0.1080327 0.0840858 -0.1443298 -0.1698411 -0.0802699 0.1019045 -0.0573817 -0.2271995 0.0103587 0.0024753 0.0544291 -0.3602266 -0.0199052 -0.317716 0.2957628 0.4857928 0.0825466 0.4348211 0.1654181 -0.2541372 -0.0290622 0.0144285 -0.1868308 -0.1750826 0.1640379 0.1153758 0.0040106 -0.3071099 0.0068861 -0.032592 -0.0216159 -0.0197501 -0.0214015 0.1047688 0.0072938 0.1101966 -0.0912917 0.0333255 -0.0025364 0.0353013 -0.0768201 -0.1079775 0.0618363 -0.0252157 0.0228946 -0.1428132 0.0100776 0.0056601 0.1204196 0.0512052 0.1851493 -0.0693137 0.0773533 -0.0085086 0.0655968 0.0963587 -0.0238791 0.0557044 -0.1006185 0.0883249 0.1230966 0.0985782 0.0366715 0.0278155 1.8700615 -0.5078858 -0.7740083 -0.0992164 1.6351082 -0.3881028 -0.8844996 -0.1404874 0.8863814 0.2423978 0.0656544 0.0373388 0.0147053 0.6544351 -0.0668629 0.0247816 -0.1030445 0.2986526 0.5898704 0.0744335 -0.3907703 0.0117585 0.2922315 -0.0313532 -0.3479179 -0.1548977 1.0852108 0.0045417 0.0277045 0.0554703 0.1336624 -0.0007688 -0.0531386 0.0283473 0.0593966 -0.0221912 -0.0274521 -0.07369 -0.0564649 0.0039794 -0.1473721 -0.0586068 -0.1320943 -0.0686583 0.0269349 0.1652681 0.0130657 0.0386648 0.0385521 -0.0613738 0.0855204 0.0233696 0.1045714 0.1165017 0.0082177 -0.0800301 -0.0783722 -0.0562283 0.0666839 -0.0972556 -0.0680394 -0.0920779 0.0932767 0.0394183 -0.0543707 -0.0599785 -0.0652417 0.0652259 -0.0890575 -0.0636062 -0.0685273 0.1057548 0.1296785 0.0035991 0.0350055 0.0217308 -0.087928 0.1127229 0.0382783 0.1132784 0.0781829 0.0210544 0.1325062 0.0978997 0.1327966 -0.0027318 -0.0294486 0.1044339 -0.0328201 0.1079066 0.0744993 0.0652164 0.0336356 0.0663095 -0.0040842 -0.1296929 0.0425882 -0.127278 0.0872104 -0.1048109 0.054634 0.0123069 0.0476669 0.1205484 -0.0463647 0.0097881 -0.0436495 0.1415198 0.0524415 -0.0598691 0.0090657 -0.0555967 0.0089784 -0.1172308 0.0640423 -0.0685627 -0.1349036 -0.1437332 -0.0073535 0.0191464 0.001654 0.0994502 0.0555654 -0.0335304 0.0264705 0.0214796 0.0663815 0.0522489 0.0116948 -0.0051016 -0.1560798 0.1249506 0.0372211 0.0518096 0.0401437 -0.0294093 0.0795597 0.08181 0.152559 -0.0711342 -0.0602623 0.0536031 0.0043794 0.0506132 -0.0228796 0.0280441 -0.0733181 0.0182857 0.0889595 0.0629946 0.0002752 0.0825987 -0.1494384 -0.0426282 -0.1189077 0.0688246 -0.1402471 -0.0548995 -0.0205365 0.0127605 -0.059195 0.018602 0.339819 -0.0034293 0.0495768 0.0214208 0.1781955 0.0311866 0.0477285 0.0506946 0.3416942 -0.0310909 0.1010376 0.069736 0.0499287 -0.0035715 0.0046855 0.0796448 -0.017304 0.0847127 -0.0658388 -0.1358118 -0.0869699 -0.0127789 -0.0622937 0.0058997 -0.0971575 -0.0247604 0.0524817 0.1120875 0.000324 0.0071788 0.0342743 -0.0314707 -0.0242449 -0.0210901 0.0871009 -0.1108833 -0.1389044 0.0485215 0.0747662 0.1308328 0.0614585 -0.0375625 -0.0312042 0.0636859 -0.0250131 0.0872647 -0.0150408 0.0563228 -0.0328129 -0.0899083 0.0705522 0.0516731 0.023368 0.0187735 -0.0280633 -0.0807017 -0.0785931 -0.0389718 0.0638489 -0.1441193 0.0149021 -0.0102013 -0.1373057 364.1180044|-35.6450383|362.5702095|-58.550375|4.9413586|314.1180854 0.000029204 0.000172325 -0.000118788 0.000037656 -0.000226663 0.000041439 -0.000199858 -0.000127607 0.000135333 0.000025840 0.000143466 -0.000042998 -0.000044815 0.000095036 0.000027246 -0.000013841 0.000007473 -0.000058585 0.000037514 -0.000196255 0.000044821 0.000055873 -0.000076654 0.000058510 -0.000056758 -0.000007115 0.000004540 0.000021252 -0.000016235 0.000039526 -0.000112259 0.000022470 -0.000017522 0.000065929 0.000018929 -0.000017100 -0.000015166 0.000004152 -0.000013042 -0.000004394 -0.000050514 -0.000033704 0.000027486 -0.000038676 -0.000009307 -0.000195523 0.000012183 0.000125091 -0.000044752 -0.000004213 0.000008743 -0.000017223 -0.000003603 0.000031255 0.000008377 0.000036852 0.000005274 -0.000033141 -0.000082208 0.000054524 0.000012739 0.000012749 0.000023005 0.000313678 0.000079651 -0.000156767 -0.000033388 -0.000004361 0.000010650 0.000026049 0.000097869 -0.000024260 0.000098445 0.000041501 -0.000011982 -0.000009808 -0.000023503 0.000033258 -0.000004756 0.000059033 -0.000044350 -0.000008921 0.000004112 0.000002488 0.000018287 0.000024101 -0.000002337 -0.000011650 -0.000001208 -0.000006001 0.000007033 0.000001827 0.000008602 0.000010573 0.000006014 -0.000000147 0.000000817 -0.000018758 0.000004314 -0.000006016 -0.000029465 -0.000011326 -0.000032963 0.000003034 -0.000048603 0.000010471 0.000001215 -0.000017983 -0.000002682 -0.000000515 -0.000012335 -0.000009226 -0.000005370 0.000003234 0.000001330 0.000000731 -0.000009524 -0.000006047 -0.000004157 -0.000064955 0.000010944 -0.000016280 0.000015817 0.000002554 0.000050896 -0.000020768 0.000020821 0.000003064 0.000052680 0.000000905 0.000009923 0.000020010 0.000015926 0.000016229 -0.000025102 0.000003485 0.000008523 0.000017123 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7044,.4677,1.2598;-.5601,1.4985,-2.3306;-2.6745,-1.5133,.4053;-.7729,.2002,-1.8975;-.7923,-2.2159,-.654;-.9663,2.0788,.7291;.5055,1.7678,.6662;-1.8854,1.2792,.024;1.6829,-.3772,.8057;1.697,-1.6412,1.4323;2.591,-.0666,-.204;-1.4403,3.1496,1.4853;3.5221,-1.0191,-.6478;-3.2507,1.5577,.094;2.6266,-2.5718,.9809;-1.4031,.1252,-.7848;3.5269,-2.2772,-.0492;-2.8049,3.4365,1.5412;-3.71,2.6394,.8457;.7201,-1.9459,2.5346;4.4865,-.6614,-1.7517;-1.6804,-1.2796,-.2903;-.9213,-3.6074,-.2507;.1574,1.4814,-3.5757;.8332,1.7724,-.3731;1.0934,2.5048,1.2193;2.5938,.9148,-.6605;-.7344,3.7612,2.0374;-3.952,.9321,-.4448;2.6465,-3.5546,1.442;4.2355,-3.0304,-.3776;-3.1575,4.2736,2.1336;-4.7724,2.852,.8886;.8708,-1.2789,3.3902;-.3122,-1.7998,2.2054;.8325,-2.9753,2.8807;5.1498,-1.4964,-1.9878;3.9538,-.3836,-2.6674;5.1087,.1945,-1.4694;.0356,-1.924,-1.1528;-.0566,-4.1545,-.6231;-1.8306,-4.0501,-.666;-.9597,-3.6968,.8374;1.1325,1.0029,-3.4505;.2866,2.5297,-3.8454;-.4214,.9652,-4.3463; Gaussian 16 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C19H22N2O3)] 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 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7044,.4677,1.2598;-.5601,1.4985,-2.3306;-2.6745,-1.5133,.4053;-.7729,.2002,-1.8975;-.7923,-2.2159,-.654;-.9663,2.0788,.7291;.5055,1.7678,.6662;-1.8854,1.2792,.024;1.6829,-.3772,.8057;1.697,-1.6412,1.4323;2.591,-.0666,-.204;-1.4403,3.1496,1.4853;3.5221,-1.0191,-.6478;-3.2507,1.5577,.094;2.6266,-2.5718,.9809;-1.4031,.1252,-.7848;3.5269,-2.2772,-.0492;-2.8049,3.4365,1.5412;-3.71,2.6394,.8457;.7201,-1.9459,2.5346;4.4865,-.6614,-1.7517;-1.6804,-1.2796,-.2903;-.9213,-3.6074,-.2507;.1574,1.4814,-3.5757;.8332,1.7724,-.3731;1.0934,2.5048,1.2193;2.5938,.9148,-.6605;-.7344,3.7612,2.0374;-3.952,.9321,-.4448;2.6465,-3.5546,1.442;4.2355,-3.0304,-.3776;-3.1575,4.2736,2.1336;-4.7724,2.852,.8886;.8708,-1.2789,3.3902;-.3122,-1.7998,2.2054;.8325,-2.9753,2.8807;5.1498,-1.4964,-1.9878;3.9538,-.3836,-2.6674;5.1087,.1945,-1.4694;.0356,-1.924,-1.1528;-.0566,-4.1545,-.6231;-1.8306,-4.0501,-.666;-.9597,-3.6968,.8374;1.1325,1.0029,-3.4505;.2866,2.5297,-3.8454;-.4214,.9652,-4.3463; oldchk=opt-b3lyp-pople.chk #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 dimoxystrobin CONF25 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 46 16 16 16 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 1 1 1 1 15.9949146 15.9949146 15.9949146 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 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 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 1 1 1 1 5.6000000 5.6000000 5.6000000 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 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 684 A 660 A 660 1040 684 87 87 2150.0186977462 46 46 46 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 -0.0533280523 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.943750 0.000000 4.009005 4.585586 0.000000 3.496147 1.385104 3.443166 0.000000 3.620097 4.081907 2.271257 2.717399 0.000000 2.380847 3.140654 3.990751 3.235040 4.515267 0.000000 1.442942 3.192076 4.576734 3.265662 4.392875 1.505617 0.000000 2.982115 2.710833 2.926795 2.468544 3.724238 1.407617 2.523443 0.000000 1.370212 4.287911 4.520843 3.697556 3.411498 3.613274 2.450840 4.010888 0.000000 2.337239 5.395626 4.492382 4.536467 3.298491 4.628837 3.691609 4.831755 1.410887 0.000000 2.446911 4.111210 5.494576 3.775656 4.033516 4.257646 2.910570 4.679876 1.393080 2.440542 0.000000 3.441415 4.250023 4.942927 4.537413 5.812540 1.394030 2.523242 2.415023 4.759698 5.726940 5.426733 0.000000 3.713308 5.082733 6.304844 4.636299 4.477311 5.624732 4.311921 5.913839 2.430502 2.836362 1.403941 6.823008 0.000000 4.265025 3.622377 3.140074 3.456610 4.565443 2.427662 3.805385 1.395203 5.347028 6.041883 6.070661 2.783448 7.284246 0.000000 3.607112 6.139130 5.436301 5.246525 3.806379 5.882175 4.840454 6.008622 2.395318 1.390639 2.771520 7.037673 2.421908 7.237538 0.000000 2.956287 2.233016 2.391156 1.280974 2.422994 2.509824 2.906293 1.489399 3.507920 4.200806 4.040710 3.781807 5.058196 2.497583 5.160416 0.000000 4.149071 6.013718 6.264838 5.295517 4.361816 6.306288 5.099285 6.476589 2.782350 2.438880 2.405558 7.515243 1.393288 7.788666 1.399501 5.533339 0.000000 4.605232 4.877099 5.080107 5.140733 6.388970 2.425586 3.809094 2.793130 5.935098 6.786919 6.665824 1.395541 8.042028 2.413083 8.118776 4.282512 8.675706 0.000000 4.937112 4.616558 4.302477 4.701200 5.859711 2.802853 4.308448 2.419668 6.179388 6.921272 6.937379 2.412658 8.241222 1.395043 8.205333 3.781743 8.794731 1.392196 0.000000 2.729620 6.097005 4.030451 5.145724 3.539445 4.722476 4.162722 4.846959 2.525187 1.503999 3.812029 5.633177 4.340204 5.830898 2.537750 4.451500 3.829346 6.510197 6.595732 0.000000 4.964710 5.519873 7.527245 5.331570 5.611397 6.587552 5.253142 6.893471 3.805465 4.345060 2.518371 7.754331 1.508863 8.258067 3.817878 6.020095 2.535757 8.988927 9.210043 5.848734 0.000000 3.338219 3.624342 1.235653 2.365661 1.340787 3.581597 3.870387 2.586106 3.650676 3.808614 4.441189 4.777909 5.221250 3.265521 4.672917 1.514851 5.307532 5.182674 4.557224 3.766541 6.367822 0.000000 4.640254 5.525169 2.808820 4.151168 1.454537 5.770197 5.636476 4.988359 4.281636 3.681640 4.987644 6.995786 5.157626 5.676572 3.895776 3.801302 4.647273 7.508362 6.928351 3.634974 6.338556 2.448822 0.000000 4.970863 1.437140 5.730363 2.307240 4.807107 4.489004 4.265853 4.143869 4.997862 6.099344 4.437078 5.563305 5.113291 5.008777 6.579368 3.473302 6.157663 6.227434 5.987232 7.028430 5.163331 4.668447 6.173778 0.000000 2.094077 2.418314 4.868864 2.715722 4.315970 2.132328 1.089770 2.791340 2.594668 3.957085 2.549578 3.243383 3.885555 4.116126 4.890961 2.807805 4.874441 4.435055 4.783085 4.721539 4.601142 3.954687 5.660014 3.286064 0.000000 2.074271 4.043372 5.568222 4.302200 5.417608 2.159641 1.093012 3.435727 2.970614 4.195158 3.298575 2.627984 4.669282 4.586352 5.308442 3.988932 5.513522 4.021009 4.819793 4.655965 5.510432 4.928965 6.601493 4.991589 1.771991 0.000000 2.730811 3.616228 5.898035 3.657252 4.611598 3.995013 2.617026 4.545806 2.156124 3.423074 1.082357 5.086606 2.145103 5.927971 3.853770 4.076039 3.381276 6.352392 6.706794 4.680028 2.693925 4.818826 5.742326 3.841275 1.979353 2.883281 0.000000 3.677162 4.922396 5.852184 5.307131 6.555357 2.143812 2.718656 3.396949 4.948364 5.955134 5.543797 1.084973 6.941057 3.868363 7.246988 4.651074 7.679502 2.153802 3.396025 5.910443 7.821383 5.632284 7.717962 6.123751 3.496173 2.363998 5.143713 0.000000 4.980336 3.922020 2.886987 3.571069 4.465117 3.406964 4.669292 2.147335 5.918602 6.485135 6.623182 3.866683 7.727203 1.083253 7.588647 2.695091 8.148029 3.395846 2.153788 6.244062 8.686542 3.174179 5.461685 5.195362 4.858934 5.540631 6.549366 4.951575 0.000000 4.470378 7.074598 5.792704 6.078167 4.243985 6.730222 5.789113 6.776041 3.380751 2.136061 3.857298 7.851818 3.400448 7.920265 1.085794 5.907577 2.151915 8.865864 8.895360 2.737272 4.685745 5.186477 3.949421 7.532268 5.912681 6.259274 4.939522 8.081199 8.199476 0.000000 5.233234 6.879211 7.117817 6.150736 5.100881 7.374770 6.166449 7.496604 3.867265 3.413177 3.393931 8.595257 2.151174 8.792989 2.155125 6.474391 1.085009 9.750391 9.837415 4.692003 2.750156 6.170202 5.190588 6.871329 5.885789 6.562140 4.282474 8.755437 9.096227 2.471995 0.000000 5.492020 5.863144 6.058738 6.207095 7.448370 3.404563 4.674364 3.877536 6.842662 7.683932 7.572731 2.152228 8.964611 3.397752 9.035672 5.366921 9.610343 1.084416 2.152782 7.340213 9.893420 6.236560 8.532047 7.168052 5.335246 4.694069 7.222590 2.478549 4.294735 9.769628 10.691615 0.000000 5.984844 5.471664 4.867330 5.548915 6.626071 3.887145 5.392729 3.399473 7.218405 7.895459 7.995749 3.398126 9.281373 2.149958 9.174495 4.646299 9.801397 2.153677 1.084301 7.476444 10.249052 5.293437 7.606157 6.790599 5.846386 5.885352 7.772623 4.295561 2.477339 9.817945 10.832771 2.485692 0.000000 2.759808 6.518351 4.640388 5.731397 4.472072 4.661512 4.103081 5.046898 2.855140 2.155702 4.164922 5.346096 4.837577 5.991446 3.249490 4.957031 4.458856 6.258077 6.542987 1.095291 6.316140 4.478240 4.678669 7.526723 4.844957 4.367869 4.918229 5.459685 6.546307 3.482487 5.346558 6.973906 7.427455 0.000000 2.658811 5.613905 2.983779 4.587596 2.929136 4.201277 3.970563 4.088239 2.821875 2.158587 4.151796 5.127180 4.842669 4.936186 3.275893 3.719798 4.477692 5.837257 5.753336 1.093329 6.323111 2.893323 3.109816 6.663924 4.552019 4.634400 4.901721 5.579513 5.266407 3.523626 5.372851 6.707251 6.577777 1.753411 0.000000 3.807624 7.008016 4.534714 5.957543 3.963685 5.780004 5.244766 5.800689 3.432018 2.150555 4.590009 6.680342 4.848829 6.707162 2.644024 5.295899 4.041281 7.492355 7.503346 1.091819 6.337612 4.386958 3.644321 7.874202 5.755652 5.732347 5.547530 6.967493 7.015515 2.386683 4.711731 8.308073 8.327087 1.771708 1.774249 0.000000 5.845230 6.456818 8.182176 6.161634 6.132351 7.587519 6.266465 7.825937 4.590898 4.862148 3.431346 8.779449 2.161747 9.177716 4.041856 6.856958 2.646047 10.003277 10.179912 6.346360 1.092259 7.041362 6.658293 6.026021 5.650281 6.538367 3.756165 8.858259 9.545774 4.718744 2.404547 10.921999 11.208634 6.876087 6.892621 6.673021 0.000000 5.167813 4.902161 7.392753 4.824480 5.471447 6.465807 5.256625 6.641104 4.149667 4.845889 2.833061 7.669779 2.160767 7.956054 4.456442 5.700845 3.259253 8.830950 8.956250 6.321224 1.095222 6.180435 6.324595 4.326184 4.432854 5.624171 2.750056 7.829012 8.317018 5.352728 3.511132 9.762623 9.962991 6.855704 6.629325 6.873205 1.769361 0.000000 5.188586 5.880308 8.186002 5.897233 6.426307 6.729775 5.312799 7.233567 4.152073 4.840459 2.829924 7.768767 2.159937 8.612951 4.451706 6.548111 3.260117 9.066446 9.439691 6.314517 1.095124 7.046696 7.231995 5.532478 4.687424 5.356293 2.738255 7.691630 9.148274 5.347415 3.514901 9.897009 10.500465 6.614142 6.845988 6.874422 1.769079 1.761584 0.000000 3.462402 3.668202 3.152991 2.391764 1.009698 4.535112 4.142300 3.915995 2.990254 3.085939 3.298516 5.905872 3.637164 4.947363 3.418372 2.530699 3.678547 6.637810 6.232828 3.750417 4.665124 2.025808 2.136258 4.181138 3.860946 5.134168 3.852893 6.564376 4.955759 4.026030 4.411816 7.707507 7.077757 4.663898 3.378389 4.243709 5.199520 4.474246 5.506772 0.000000 5.048776 5.926740 3.858444 4.593589 2.073786 6.442856 6.087070 5.769612 4.397222 3.690099 4.888444 7.727298 4.757975 6.583804 3.503884 4.489478 4.085969 8.358303 7.852577 3.930976 5.840853 3.318596 1.088966 6.366094 5.998539 7.004566 5.720445 8.378332 6.409376 3.454220 4.443638 9.394066 8.580013 5.023559 3.689246 3.802341 6.002862 5.872140 6.805190 2.294445 0.000000 5.526812 5.930573 2.880141 4.549711 2.107649 6.344765 6.409338 5.373980 5.291519 4.759150 5.969260 7.524357 6.151238 5.834498 4.976311 4.198749 5.676804 7.865705 7.111027 4.601906 7.250345 2.799863 1.093204 6.558589 6.409530 7.420937 6.650130 8.338200 5.419532 4.973317 6.157936 8.881535 7.662264 5.606204 3.951471 4.563557 7.549426 7.134929 8.174074 2.870514 1.777589 0.000000 4.504548 6.098156 2.809768 4.764587 2.108420 5.776575 5.660187 5.126262 4.243089 3.411364 5.183679 6.893749 5.427919 5.780216 3.761324 4.175600 4.788658 7.401568 6.907355 2.961046 6.751202 2.762989 1.092478 6.894726 5.881451 6.543753 6.011444 7.557226 5.659004 3.659344 5.376872 8.368806 7.578002 3.964017 2.426734 2.811991 7.081665 6.885024 7.568990 2.845080 1.777214 1.773023 0.000000 4.759942 2.089172 5.974323 2.585889 4.678259 4.799112 4.233873 4.610406 4.508131 5.581446 3.716359 5.965774 4.201603 5.664245 5.886288 3.782300 5.297281 6.807552 6.677226 6.684823 4.111632 4.807191 5.975983 1.093348 3.186233 4.905552 3.150727 6.419550 5.906906 6.855689 5.944673 7.764214 7.557458 7.215947 6.475442 7.483337 4.952274 3.239672 4.515389 3.879350 6.000606 6.485797 6.697082 0.000000 5.521795 2.018647 6.571438 3.216167 5.819818 4.764401 4.580788 4.610178 5.659783 6.873219 5.031059 5.637725 5.769461 5.382987 7.402340 4.243179 6.929453 6.276613 6.163748 7.805368 5.675056 5.569461 7.214296 1.090172 3.595752 5.128663 4.251439 6.096475 5.664169 8.399157 7.650794 7.116973 6.936065 8.197591 7.464298 8.708846 6.581130 4.829438 5.861019 5.210451 7.428351 7.608193 7.889990 1.789585 0.000000 5.739648 2.089613 5.813608 2.589475 4.887745 5.224607 5.160288 4.619629 5.724789 6.683846 5.224757 6.310140 5.759041 5.298323 7.083748 3.788638 6.675850 6.815504 6.369836 7.558044 5.784918 4.803669 6.158982 1.093217 4.244004 5.969981 4.762182 6.976181 5.261971 7.959001 7.307662 7.773038 7.063713 8.158323 7.112076 8.326404 6.531463 4.876477 6.281105 4.330682 6.340894 6.378338 6.992501 1.793960 1.788781 0.000000 C19H22N2O3 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 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1661,-.0059,-1.5435;1.174,2.0229,1.5615;1.3318,-2.5436,1.1747;.6195,.7714,1.7734;-.6817,-1.6114,1.6599;2.0833,.6419,-1.1087;.7089,1.1391,-1.4703;2.3006,.0138,.1322;-1.4861,.0862,-1.1878;-2.1883,-1.1366,-1.2358;-2.1165,1.2603,-.7822;3.1526,.7873,-1.9911;-3.4605,1.2483,-.3764;3.5707,-.4606,.4616;-3.5189,-1.1297,-.8315;1.1718,-.1594,1.0882;-4.154,.0401,-.3995;4.4258,.3265,-1.6532;4.6341,-.2982,-.4266;-1.4917,-2.3871,-1.6972;-4.1163,2.5317,.0704;.6118,-1.5489,1.3127;-1.3608,-2.8746,1.9025;.4868,2.9982,2.3627;.3651,1.8403,-.7102;.7101,1.648,-2.4376;-1.5801,2.2004,-.7753;2.985,1.2623,-2.952;3.7274,-.9505,1.4149;-4.0742,-2.0626,-.8499;-5.1927,.0059,-.0877;5.2473,.448,-2.3505;5.619,-.6643,-.1589;-1.1549,-2.2905,-2.735;-.5994,-2.5913,-1.0993;-2.1579,-3.2498,-1.6337;-5.1591,2.3696,.3521;-3.5962,2.9618,.933;-4.0946,3.2833,-.7257;-1.218,-.756,1.6688;-2.4083,-2.6661,2.1152;-.9194,-3.3958,2.7562;-1.2962,-3.527,1.0286;-.5701,3.0459,2.0869;.9753,3.9469,2.1393;.5905,2.765,3.4257; 0.3500120 0.1884173 0.1745966 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= 660 RedAO= T EigKep= 1.21D-06 NBF= 660 NBsUse= 655 1.00D-06 EigRej= 9.09D-07 NBFU= 655 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= 680 680 680 680 680 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1072.76287713939 -1072.76287714 1 1.068180689538e+03 -6.800515332562e+03 2.509604340450e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414628770 LenY= 1414160230 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. PT1037.400S Wed Oct 9 16:31:16 2024 -19.18307 -19.15515 -19.10188 -14.38406 -14.34450 -10.28673 -10.23452 -10.23293 -10.22776 -10.21576 -10.19753 -10.19620 -10.19263 -10.18180 -10.18160 -10.17955 -10.17888 -10.17810 -10.17622 -10.16930 -10.16726 -10.16258 -10.16049 -10.15610 -1.11077 -1.06676 -1.05048 -0.93511 -0.90103 -0.86714 -0.85741 -0.79437 -0.77784 -0.76512 -0.74008 -0.73023 -0.71665 -0.69816 -0.68806 -0.65114 -0.64170 -0.61407 -0.60722 -0.59112 -0.57833 -0.57610 -0.53709 -0.53526 -0.52024 -0.50064 -0.49498 -0.48185 -0.47403 -0.47064 -0.47012 -0.46062 -0.45699 -0.44525 -0.44063 -0.43432 -0.42014 -0.41780 -0.41619 -0.40630 -0.40349 -0.39880 -0.39580 -0.39467 -0.39202 -0.38032 -0.37537 -0.37282 -0.36584 -0.36399 -0.35396 -0.35197 -0.34437 -0.32548 -0.32149 -0.30547 -0.28107 -0.27295 -0.26773 -0.26074 -0.25662 -0.24479 -0.22057 -0.05682 -0.02495 -0.01846 -0.01268 0.00109 0.00317 0.01306 0.01420 0.02188 0.02766 0.03080 0.03400 0.03573 0.03648 0.04273 0.04725 0.05028 0.05278 0.05850 0.05911 0.06538 0.06612 0.06935 0.07475 0.07650 0.07877 0.07935 0.08838 0.08945 0.09780 0.10065 0.10468 0.10487 0.10816 0.11147 0.11439 0.11648 0.11882 0.12279 0.12538 0.12715 0.13127 0.13635 0.13957 0.14288 0.14410 0.14754 0.14995 0.15535 0.15588 0.15834 0.16195 0.16482 0.17008 0.17211 0.17443 0.17820 0.18281 0.18500 0.18542 0.18812 0.19137 0.19268 0.19501 0.19684 0.20235 0.20339 0.20691 0.20811 0.21082 0.21267 0.21644 0.21675 0.21955 0.22268 0.22343 0.22452 0.23001 0.23073 0.23519 0.23978 0.24145 0.24299 0.24425 0.24706 0.24971 0.25109 0.25473 0.25918 0.26313 0.26860 0.26997 0.27192 0.27551 0.27821 0.28028 0.28416 0.28679 0.29146 0.29368 0.29875 0.29949 0.30354 0.30450 0.30734 0.31264 0.31604 0.31893 0.32304 0.32680 0.32970 0.33252 0.33656 0.34034 0.34172 0.34775 0.35161 0.35631 0.35996 0.36042 0.36703 0.37076 0.37856 0.37980 0.38243 0.38584 0.39334 0.39721 0.40216 0.40750 0.41221 0.41624 0.42135 0.43019 0.43732 0.44286 0.44413 0.45660 0.46440 0.46855 0.47369 0.48164 0.49110 0.49583 0.50160 0.50399 0.51607 0.51981 0.52704 0.53102 0.54220 0.54618 0.54823 0.55081 0.55344 0.56038 0.56613 0.57189 0.57689 0.57885 0.58575 0.58978 0.59207 0.60417 0.60910 0.61321 0.61717 0.62117 0.62712 0.63725 0.63761 0.64485 0.64950 0.65130 0.65611 0.65874 0.66585 0.67657 0.67839 0.68839 0.69109 0.69199 0.69539 0.69760 0.70385 0.70726 0.71100 0.71501 0.71951 0.72601 0.72899 0.73083 0.73382 0.73516 0.73984 0.74878 0.75001 0.75929 0.76064 0.76411 0.76871 0.77196 0.78061 0.78749 0.78924 0.79589 0.79730 0.80842 0.81390 0.81937 0.83035 0.83748 0.84147 0.84844 0.85470 0.86362 0.87161 0.88139 0.88666 0.89822 0.90418 0.90925 0.91955 0.92968 0.93719 0.94094 0.94839 0.95606 0.96524 0.97301 0.97696 0.99092 0.99842 1.00073 1.00566 1.01349 1.02540 1.03302 1.03586 1.03790 1.04840 1.05727 1.06184 1.06376 1.07209 1.07685 1.09368 1.09994 1.10749 1.11649 1.12141 1.12869 1.13254 1.13591 1.15031 1.15548 1.17922 1.18258 1.19228 1.20257 1.22526 1.23965 1.24353 1.25932 1.26439 1.27724 1.30167 1.31578 1.32897 1.33948 1.35147 1.35404 1.36393 1.37532 1.38091 1.39077 1.39243 1.41160 1.42359 1.43166 1.44316 1.44871 1.45961 1.46912 1.47179 1.47546 1.48397 1.49679 1.50446 1.51888 1.52133 1.52836 1.53493 1.54410 1.54637 1.55977 1.56192 1.56470 1.57097 1.57464 1.57819 1.57926 1.58418 1.58608 1.59624 1.60392 1.60878 1.61274 1.62163 1.63082 1.63797 1.64613 1.64886 1.65563 1.66403 1.66946 1.67468 1.68282 1.68645 1.69775 1.70457 1.70959 1.71503 1.72376 1.73460 1.74635 1.75428 1.75714 1.76412 1.77120 1.77773 1.78374 1.79237 1.80020 1.80296 1.81579 1.81992 1.83204 1.84398 1.84961 1.85514 1.86746 1.87527 1.88058 1.89182 1.89400 1.90027 1.91492 1.91666 1.92147 1.93742 1.93833 1.94884 1.95510 1.96197 1.97920 1.98470 1.98986 1.99227 2.00255 2.00994 2.01101 2.02665 2.04752 2.04815 2.05937 2.07090 2.07545 2.09350 2.10020 2.10589 2.11509 2.11858 2.13485 2.13759 2.14914 2.15532 2.16196 2.16854 2.18169 2.19223 2.20750 2.22513 2.24899 2.26721 2.28117 2.28532 2.30556 2.30934 2.32768 2.33742 2.34750 2.35591 2.37541 2.39240 2.40038 2.41846 2.42786 2.43388 2.43683 2.44176 2.46439 2.47001 2.48067 2.50084 2.50241 2.51889 2.52587 2.53209 2.53666 2.54281 2.55779 2.57143 2.57854 2.58479 2.58829 2.59156 2.59904 2.60681 2.62193 2.62782 2.64111 2.64829 2.65810 2.66484 2.67947 2.69524 2.69839 2.70207 2.70736 2.71794 2.72011 2.74503 2.74805 2.75468 2.75868 2.76694 2.76869 2.78585 2.79532 2.79914 2.80296 2.81250 2.82882 2.83249 2.83606 2.84349 2.85336 2.85498 2.87461 2.87488 2.88565 2.89945 2.91778 2.92348 2.92987 2.94749 2.94840 2.95834 2.96417 2.96969 2.99324 3.00183 3.01536 3.02139 3.02642 3.03973 3.05772 3.07714 3.08789 3.11053 3.13029 3.13767 3.14588 3.14959 3.17084 3.19443 3.20226 3.20903 3.23229 3.24447 3.26387 3.28662 3.29715 3.32064 3.35284 3.38024 3.38417 3.39634 3.40915 3.43456 3.44733 3.46217 3.54748 3.55767 3.58431 3.60401 3.61023 3.62708 3.65052 3.69015 3.71900 3.77376 3.78178 3.79517 3.79843 3.80309 3.81665 3.82508 3.84002 3.84985 3.86987 3.89779 3.94094 4.00831 4.03035 4.04045 4.05577 4.07747 4.09614 4.11482 4.16291 4.18953 4.21626 4.24972 4.29074 4.30483 4.35466 4.39309 4.40028 4.70276 4.85397 4.86780 4.87425 4.98376 5.05571 5.14173 5.18618 5.29328 5.45866 5.47149 5.73917 5.82086 5.84310 23.62088 23.65149 23.87440 23.89267 23.92343 23.93196 23.94875 23.95242 23.96585 23.98428 23.99102 23.99690 24.02584 24.08157 24.09295 24.09905 24.11120 24.18564 24.18857 35.55908 35.64986 49.92383 49.99921 50.04363 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 46 O O O 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 H H H H -0.007008 0.123710 -0.417655 -0.304751 -0.096828 0.292779 -0.298298 0.023780 -0.110752 0.371180 -0.057213 -0.217549 0.311100 -0.177923 -0.272150 0.193850 -0.598528 -0.273750 -0.180384 -0.559550 -0.536998 -0.476512 -0.264319 -0.283474 0.174030 0.189412 0.152326 0.157836 0.161656 0.143414 0.141719 0.162227 0.162734 0.174767 0.175823 0.158327 0.154440 0.164969 0.170290 0.303921 0.177598 0.180260 0.182437 0.171595 0.183993 0.173471 0.00000 -3.0704 5.1154 0.6187 5.9981 -131.1517 -137.3588 -137.5321 8.8756 -11.4416 1.6321 4.1958 -2.0113 -2.1846 8.8756 -11.4416 1.6321 33.9910 57.3478 19.2240 -53.1364 -6.9402 3.3631 21.3669 20.5171 14.5881 0.0437 -5288.0528 -2348.0838 -1736.3564 -43.7269 -156.5461 116.1059 89.9680 -63.7078 1.3728 -1383.8316 -1253.7748 -629.5847 -26.1373 -19.8203 56.2056 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON19 APULGAR 2024-10-09T00:00:00.000 0 Wavefunction dimoxystrobin CONF25 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1072.7628771 RMSD=9.635e-09 Dipole=1.8236851,0.6324275,-1.3576035 Quadrupole=-8.8706287,8.7580745,0.1125542,-5.5629749,-3.1184735,2.5114424 PG=C01 [X(C19H22N2O3)] 0 0.7044398132 0.4677373847 1.2598324531 0 -0.5601099888 1.4985257947 -2.3306480278 0 -2.6745250844 -1.513315393 0.4053458464 0 -0.7729342067 0.2002133707 -1.8975141247 0 -0.7923198013 -2.2159052128 -0.6540306145 0 -0.9662758754 2.0787815221 0.7290966518 0 0.5055314182 1.7677940666 0.6662257205 0 -1.8853859825 1.2791618813 0.0239514588 0 1.6828787469 -0.3772020054 0.8057233215 0 1.697020103 -1.6412221495 1.4323463507 0 2.5910293652 -0.0665735155 -0.2039519157 0 -1.4403291622 3.1496103278 1.485348942 0 3.5220541811 -1.0190546878 -0.6478239844 0 -3.2507086057 1.5576978561 0.093974231 0 2.6265794798 -2.5718070796 0.9808949442 0 -1.4031141118 0.1251907934 -0.7847968808 0 3.5269287829 -2.2771988389 -0.0492413482 0 -2.804928018 3.4364620814 1.5412107659 0 -3.7100102609 2.6394158325 0.845687822 0 0.7201472151 -1.9458924429 2.5345748784 0 4.4865388554 -0.6613656705 -1.751678851 0 -1.6804243169 -1.2795794157 -0.2903340905 0 -0.921330473 -3.6074404638 -0.2507163026 0 0.1574020642 1.4813799971 -3.5757400174 0 0.8331913004 1.7723765693 -0.373108812 0 1.0933945932 2.5048118074 1.2193057909 0 2.5937901234 0.9147575102 -0.660547383 0 -0.7343728894 3.7611685987 2.0374252923 0 -3.9519975762 0.9320972627 -0.4447796826 0 2.646547826 -3.5546122202 1.4420281148 0 4.2355210369 -3.0303982197 -0.377620838 0 -3.1574664344 4.2735955492 2.1335635751 0 -4.7723926293 2.8520346896 0.8886367152 0 0.8707669035 -1.2788502867 3.3901626788 0 -0.3121559701 -1.7998111702 2.2053657505 0 0.8324615044 -2.9752916485 2.8806849426 0 5.14981876 -1.49642052 -1.9878438962 0 3.9538041554 -0.3835909303 -2.667400751 0 5.1087386629 0.194498281 -1.4694373473 0 0.035634319 -1.9239620992 -1.1527799357 0 -0.05655855 -4.1545366478 -0.623144836 0 -1.8305553071 -4.0500557682 -0.666042646 0 -0.9597036607 -3.6967734418 0.8374270521 0 1.1324955074 1.002923171 -3.4505166421 0 0.2866194515 2.5297304177 -3.8454428297 0 -0.4213561949 0.9652319434 -4.3462934055 Gaussian 16 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C19H22N2O3)] 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 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7044,.4677,1.2598;-.5601,1.4985,-2.3306;-2.6745,-1.5133,.4053;-.7729,.2002,-1.8975;-.7923,-2.2159,-.654;-.9663,2.0788,.7291;.5055,1.7678,.6662;-1.8854,1.2792,.024;1.6829,-.3772,.8057;1.697,-1.6412,1.4323;2.591,-.0666,-.204;-1.4403,3.1496,1.4853;3.5221,-1.0191,-.6478;-3.2507,1.5577,.094;2.6266,-2.5718,.9809;-1.4031,.1252,-.7848;3.5269,-2.2772,-.0492;-2.8049,3.4365,1.5412;-3.71,2.6394,.8457;.7201,-1.9459,2.5346;4.4865,-.6614,-1.7517;-1.6804,-1.2796,-.2903;-.9213,-3.6074,-.2507;.1574,1.4814,-3.5757;.8332,1.7724,-.3731;1.0934,2.5048,1.2193;2.5938,.9148,-.6605;-.7344,3.7612,2.0374;-3.952,.9321,-.4448;2.6465,-3.5546,1.442;4.2355,-3.0304,-.3776;-3.1575,4.2736,2.1336;-4.7724,2.852,.8886;.8708,-1.2789,3.3902;-.3122,-1.7998,2.2054;.8325,-2.9753,2.8807;5.1498,-1.4964,-1.9878;3.9538,-.3836,-2.6674;5.1087,.1945,-1.4694;.0356,-1.924,-1.1528;-.0566,-4.1545,-.6231;-1.8306,-4.0501,-.666;-.9597,-3.6968,.8374;1.1325,1.0029,-3.4505;.2866,2.5297,-3.8454;-.4214,.9652,-4.3463; oldchk=opt-b3lyp-pople.chk #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 dimoxystrobin CONF25 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 46 16 16 16 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 1 1 1 1 15.9949146 15.9949146 15.9949146 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 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 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 1 1 1 1 5.6000000 5.6000000 5.6000000 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 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 684 A 660 A 660 1040 684 87 87 2150.0186977462 46 46 46 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 -0.0533280523 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.943750 0.000000 4.009005 4.585586 0.000000 3.496147 1.385104 3.443166 0.000000 3.620097 4.081907 2.271257 2.717399 0.000000 2.380847 3.140654 3.990751 3.235040 4.515267 0.000000 1.442942 3.192076 4.576734 3.265662 4.392875 1.505617 0.000000 2.982115 2.710833 2.926795 2.468544 3.724238 1.407617 2.523443 0.000000 1.370212 4.287911 4.520843 3.697556 3.411498 3.613274 2.450840 4.010888 0.000000 2.337239 5.395626 4.492382 4.536467 3.298491 4.628837 3.691609 4.831755 1.410887 0.000000 2.446911 4.111210 5.494576 3.775656 4.033516 4.257646 2.910570 4.679876 1.393080 2.440542 0.000000 3.441415 4.250023 4.942927 4.537413 5.812540 1.394030 2.523242 2.415023 4.759698 5.726940 5.426733 0.000000 3.713308 5.082733 6.304844 4.636299 4.477311 5.624732 4.311921 5.913839 2.430502 2.836362 1.403941 6.823008 0.000000 4.265025 3.622377 3.140074 3.456610 4.565443 2.427662 3.805385 1.395203 5.347028 6.041883 6.070661 2.783448 7.284246 0.000000 3.607112 6.139130 5.436301 5.246525 3.806379 5.882175 4.840454 6.008622 2.395318 1.390639 2.771520 7.037673 2.421908 7.237538 0.000000 2.956287 2.233016 2.391156 1.280974 2.422994 2.509824 2.906293 1.489399 3.507920 4.200806 4.040710 3.781807 5.058196 2.497583 5.160416 0.000000 4.149071 6.013718 6.264838 5.295517 4.361816 6.306288 5.099285 6.476589 2.782350 2.438880 2.405558 7.515243 1.393288 7.788666 1.399501 5.533339 0.000000 4.605232 4.877099 5.080107 5.140733 6.388970 2.425586 3.809094 2.793130 5.935098 6.786919 6.665824 1.395541 8.042028 2.413083 8.118776 4.282512 8.675706 0.000000 4.937112 4.616558 4.302477 4.701200 5.859711 2.802853 4.308448 2.419668 6.179388 6.921272 6.937379 2.412658 8.241222 1.395043 8.205333 3.781743 8.794731 1.392196 0.000000 2.729620 6.097005 4.030451 5.145724 3.539445 4.722476 4.162722 4.846959 2.525187 1.503999 3.812029 5.633177 4.340204 5.830898 2.537750 4.451500 3.829346 6.510197 6.595732 0.000000 4.964710 5.519873 7.527245 5.331570 5.611397 6.587552 5.253142 6.893471 3.805465 4.345060 2.518371 7.754331 1.508863 8.258067 3.817878 6.020095 2.535757 8.988927 9.210043 5.848734 0.000000 3.338219 3.624342 1.235653 2.365661 1.340787 3.581597 3.870387 2.586106 3.650676 3.808614 4.441189 4.777909 5.221250 3.265521 4.672917 1.514851 5.307532 5.182674 4.557224 3.766541 6.367822 0.000000 4.640254 5.525169 2.808820 4.151168 1.454537 5.770197 5.636476 4.988359 4.281636 3.681640 4.987644 6.995786 5.157626 5.676572 3.895776 3.801302 4.647273 7.508362 6.928351 3.634974 6.338556 2.448822 0.000000 4.970863 1.437140 5.730363 2.307240 4.807107 4.489004 4.265853 4.143869 4.997862 6.099344 4.437078 5.563305 5.113291 5.008777 6.579368 3.473302 6.157663 6.227434 5.987232 7.028430 5.163331 4.668447 6.173778 0.000000 2.094077 2.418314 4.868864 2.715722 4.315970 2.132328 1.089770 2.791340 2.594668 3.957085 2.549578 3.243383 3.885555 4.116126 4.890961 2.807805 4.874441 4.435055 4.783085 4.721539 4.601142 3.954687 5.660014 3.286064 0.000000 2.074271 4.043372 5.568222 4.302200 5.417608 2.159641 1.093012 3.435727 2.970614 4.195158 3.298575 2.627984 4.669282 4.586352 5.308442 3.988932 5.513522 4.021009 4.819793 4.655965 5.510432 4.928965 6.601493 4.991589 1.771991 0.000000 2.730811 3.616228 5.898035 3.657252 4.611598 3.995013 2.617026 4.545806 2.156124 3.423074 1.082357 5.086606 2.145103 5.927971 3.853770 4.076039 3.381276 6.352392 6.706794 4.680028 2.693925 4.818826 5.742326 3.841275 1.979353 2.883281 0.000000 3.677162 4.922396 5.852184 5.307131 6.555357 2.143812 2.718656 3.396949 4.948364 5.955134 5.543797 1.084973 6.941057 3.868363 7.246988 4.651074 7.679502 2.153802 3.396025 5.910443 7.821383 5.632284 7.717962 6.123751 3.496173 2.363998 5.143713 0.000000 4.980336 3.922020 2.886987 3.571069 4.465117 3.406964 4.669292 2.147335 5.918602 6.485135 6.623182 3.866683 7.727203 1.083253 7.588647 2.695091 8.148029 3.395846 2.153788 6.244062 8.686542 3.174179 5.461685 5.195362 4.858934 5.540631 6.549366 4.951575 0.000000 4.470378 7.074598 5.792704 6.078167 4.243985 6.730222 5.789113 6.776041 3.380751 2.136061 3.857298 7.851818 3.400448 7.920265 1.085794 5.907577 2.151915 8.865864 8.895360 2.737272 4.685745 5.186477 3.949421 7.532268 5.912681 6.259274 4.939522 8.081199 8.199476 0.000000 5.233234 6.879211 7.117817 6.150736 5.100881 7.374770 6.166449 7.496604 3.867265 3.413177 3.393931 8.595257 2.151174 8.792989 2.155125 6.474391 1.085009 9.750391 9.837415 4.692003 2.750156 6.170202 5.190588 6.871329 5.885789 6.562140 4.282474 8.755437 9.096227 2.471995 0.000000 5.492020 5.863144 6.058738 6.207095 7.448370 3.404563 4.674364 3.877536 6.842662 7.683932 7.572731 2.152228 8.964611 3.397752 9.035672 5.366921 9.610343 1.084416 2.152782 7.340213 9.893420 6.236560 8.532047 7.168052 5.335246 4.694069 7.222590 2.478549 4.294735 9.769628 10.691615 0.000000 5.984844 5.471664 4.867330 5.548915 6.626071 3.887145 5.392729 3.399473 7.218405 7.895459 7.995749 3.398126 9.281373 2.149958 9.174495 4.646299 9.801397 2.153677 1.084301 7.476444 10.249052 5.293437 7.606157 6.790599 5.846386 5.885352 7.772623 4.295561 2.477339 9.817945 10.832771 2.485692 0.000000 2.759808 6.518351 4.640388 5.731397 4.472072 4.661512 4.103081 5.046898 2.855140 2.155702 4.164922 5.346096 4.837577 5.991446 3.249490 4.957031 4.458856 6.258077 6.542987 1.095291 6.316140 4.478240 4.678669 7.526723 4.844957 4.367869 4.918229 5.459685 6.546307 3.482487 5.346558 6.973906 7.427455 0.000000 2.658811 5.613905 2.983779 4.587596 2.929136 4.201277 3.970563 4.088239 2.821875 2.158587 4.151796 5.127180 4.842669 4.936186 3.275893 3.719798 4.477692 5.837257 5.753336 1.093329 6.323111 2.893323 3.109816 6.663924 4.552019 4.634400 4.901721 5.579513 5.266407 3.523626 5.372851 6.707251 6.577777 1.753411 0.000000 3.807624 7.008016 4.534714 5.957543 3.963685 5.780004 5.244766 5.800689 3.432018 2.150555 4.590009 6.680342 4.848829 6.707162 2.644024 5.295899 4.041281 7.492355 7.503346 1.091819 6.337612 4.386958 3.644321 7.874202 5.755652 5.732347 5.547530 6.967493 7.015515 2.386683 4.711731 8.308073 8.327087 1.771708 1.774249 0.000000 5.845230 6.456818 8.182176 6.161634 6.132351 7.587519 6.266465 7.825937 4.590898 4.862148 3.431346 8.779449 2.161747 9.177716 4.041856 6.856958 2.646047 10.003277 10.179912 6.346360 1.092259 7.041362 6.658293 6.026021 5.650281 6.538367 3.756165 8.858259 9.545774 4.718744 2.404547 10.921999 11.208634 6.876087 6.892621 6.673021 0.000000 5.167813 4.902161 7.392753 4.824480 5.471447 6.465807 5.256625 6.641104 4.149667 4.845889 2.833061 7.669779 2.160767 7.956054 4.456442 5.700845 3.259253 8.830950 8.956250 6.321224 1.095222 6.180435 6.324595 4.326184 4.432854 5.624171 2.750056 7.829012 8.317018 5.352728 3.511132 9.762623 9.962991 6.855704 6.629325 6.873205 1.769361 0.000000 5.188586 5.880308 8.186002 5.897233 6.426307 6.729775 5.312799 7.233567 4.152073 4.840459 2.829924 7.768767 2.159937 8.612951 4.451706 6.548111 3.260117 9.066446 9.439691 6.314517 1.095124 7.046696 7.231995 5.532478 4.687424 5.356293 2.738255 7.691630 9.148274 5.347415 3.514901 9.897009 10.500465 6.614142 6.845988 6.874422 1.769079 1.761584 0.000000 3.462402 3.668202 3.152991 2.391764 1.009698 4.535112 4.142300 3.915995 2.990254 3.085939 3.298516 5.905872 3.637164 4.947363 3.418372 2.530699 3.678547 6.637810 6.232828 3.750417 4.665124 2.025808 2.136258 4.181138 3.860946 5.134168 3.852893 6.564376 4.955759 4.026030 4.411816 7.707507 7.077757 4.663898 3.378389 4.243709 5.199520 4.474246 5.506772 0.000000 5.048776 5.926740 3.858444 4.593589 2.073786 6.442856 6.087070 5.769612 4.397222 3.690099 4.888444 7.727298 4.757975 6.583804 3.503884 4.489478 4.085969 8.358303 7.852577 3.930976 5.840853 3.318596 1.088966 6.366094 5.998539 7.004566 5.720445 8.378332 6.409376 3.454220 4.443638 9.394066 8.580013 5.023559 3.689246 3.802341 6.002862 5.872140 6.805190 2.294445 0.000000 5.526812 5.930573 2.880141 4.549711 2.107649 6.344765 6.409338 5.373980 5.291519 4.759150 5.969260 7.524357 6.151238 5.834498 4.976311 4.198749 5.676804 7.865705 7.111027 4.601906 7.250345 2.799863 1.093204 6.558589 6.409530 7.420937 6.650130 8.338200 5.419532 4.973317 6.157936 8.881535 7.662264 5.606204 3.951471 4.563557 7.549426 7.134929 8.174074 2.870514 1.777589 0.000000 4.504548 6.098156 2.809768 4.764587 2.108420 5.776575 5.660187 5.126262 4.243089 3.411364 5.183679 6.893749 5.427919 5.780216 3.761324 4.175600 4.788658 7.401568 6.907355 2.961046 6.751202 2.762989 1.092478 6.894726 5.881451 6.543753 6.011444 7.557226 5.659004 3.659344 5.376872 8.368806 7.578002 3.964017 2.426734 2.811991 7.081665 6.885024 7.568990 2.845080 1.777214 1.773023 0.000000 4.759942 2.089172 5.974323 2.585889 4.678259 4.799112 4.233873 4.610406 4.508131 5.581446 3.716359 5.965774 4.201603 5.664245 5.886288 3.782300 5.297281 6.807552 6.677226 6.684823 4.111632 4.807191 5.975983 1.093348 3.186233 4.905552 3.150727 6.419550 5.906906 6.855689 5.944673 7.764214 7.557458 7.215947 6.475442 7.483337 4.952274 3.239672 4.515389 3.879350 6.000606 6.485797 6.697082 0.000000 5.521795 2.018647 6.571438 3.216167 5.819818 4.764401 4.580788 4.610178 5.659783 6.873219 5.031059 5.637725 5.769461 5.382987 7.402340 4.243179 6.929453 6.276613 6.163748 7.805368 5.675056 5.569461 7.214296 1.090172 3.595752 5.128663 4.251439 6.096475 5.664169 8.399157 7.650794 7.116973 6.936065 8.197591 7.464298 8.708846 6.581130 4.829438 5.861019 5.210451 7.428351 7.608193 7.889990 1.789585 0.000000 5.739648 2.089613 5.813608 2.589475 4.887745 5.224607 5.160288 4.619629 5.724789 6.683846 5.224757 6.310140 5.759041 5.298323 7.083748 3.788638 6.675850 6.815504 6.369836 7.558044 5.784918 4.803669 6.158982 1.093217 4.244004 5.969981 4.762182 6.976181 5.261971 7.959001 7.307662 7.773038 7.063713 8.158323 7.112076 8.326404 6.531463 4.876477 6.281105 4.330682 6.340894 6.378338 6.992501 1.793960 1.788781 0.000000 C19H22N2O3 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 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1661,-.0059,-1.5435;1.174,2.0229,1.5615;1.3318,-2.5436,1.1747;.6195,.7714,1.7734;-.6817,-1.6114,1.6599;2.0833,.6419,-1.1087;.7089,1.1391,-1.4703;2.3006,.0138,.1322;-1.4861,.0862,-1.1878;-2.1883,-1.1366,-1.2358;-2.1165,1.2603,-.7822;3.1526,.7873,-1.9911;-3.4605,1.2483,-.3764;3.5707,-.4606,.4616;-3.5189,-1.1297,-.8315;1.1718,-.1594,1.0882;-4.154,.0401,-.3995;4.4258,.3265,-1.6532;4.6341,-.2982,-.4266;-1.4917,-2.3871,-1.6972;-4.1163,2.5317,.0704;.6118,-1.5489,1.3127;-1.3608,-2.8746,1.9025;.4868,2.9982,2.3627;.3651,1.8403,-.7102;.7101,1.648,-2.4376;-1.5801,2.2004,-.7753;2.985,1.2623,-2.952;3.7274,-.9505,1.4149;-4.0742,-2.0626,-.8499;-5.1927,.0059,-.0877;5.2473,.448,-2.3505;5.619,-.6643,-.1589;-1.1549,-2.2905,-2.735;-.5994,-2.5913,-1.0993;-2.1579,-3.2498,-1.6337;-5.1591,2.3696,.3521;-3.5962,2.9618,.933;-4.0946,3.2833,-.7257;-1.218,-.756,1.6688;-2.4083,-2.6661,2.1152;-.9194,-3.3958,2.7562;-1.2962,-3.527,1.0286;-.5701,3.0459,2.0869;.9753,3.9469,2.1393;.5905,2.765,3.4257; 0.3500120 0.1884173 0.1745966 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= 660 RedAO= T EigKep= 1.21D-06 NBF= 660 NBsUse= 655 1.00D-06 EigRej= 9.09D-07 NBFU= 655 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= 680 680 680 680 680 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1072.76287713939 -1072.76287714 1 1.068180689538e+03 -6.800515332563e+03 2.509604340450e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414628770 LenY= 1414160230 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 3.7934 326.85 0.0163 0.000 87 88 0.70420 -1072.62347363 2 Singlet-A 4.4728 277.20 0.0052 0.000 86 88 0.69549 3 Singlet-A 4.6171 268.53 0.0102 0.000 81 88 0.31180 82 88 -0.25514 84 88 0.48562 85 88 0.28131 4 Singlet-A 4.7035 263.60 0.0504 0.000 81 88 -0.13706 83 88 0.13124 84 88 -0.14524 85 88 0.38055 87 89 0.53052 5 Singlet-A 4.7199 262.68 0.0224 0.000 83 88 0.13952 84 88 -0.16597 85 88 0.46776 87 89 -0.44209 6 Singlet-A 4.8656 254.82 0.0313 0.000 81 88 -0.20489 82 88 0.18764 83 88 0.12584 84 88 0.20684 86 92 0.18502 87 89 -0.10834 87 90 0.38531 87 91 -0.37383 7 Singlet-A 4.8763 254.26 0.0383 0.000 81 88 -0.24810 82 88 0.33675 84 88 0.34744 86 92 -0.14528 87 90 -0.11226 87 91 0.35143 8 Singlet-A 4.9655 249.69 0.0142 0.000 80 88 0.14248 83 88 0.52562 85 88 -0.15769 87 90 -0.33901 87 91 -0.18489 9 Singlet-A 4.9850 248.71 0.0620 0.000 81 88 0.11115 82 88 -0.16040 83 88 0.33414 87 90 0.45134 87 91 0.31269 10 Singlet-A 5.3267 232.76 0.1077 0.000 81 88 0.38096 82 88 0.43438 84 89 0.20749 84 90 -0.10289 85 89 -0.21015 86 89 0.14687 PT42526.400S Wed Oct 9 19:38:20 2024 -19.18307 -19.15515 -19.10188 -14.38406 -14.34450 -10.28673 -10.23452 -10.23293 -10.22776 -10.21576 -10.19753 -10.19620 -10.19263 -10.18180 -10.18160 -10.17955 -10.17888 -10.17810 -10.17622 -10.16930 -10.16726 -10.16258 -10.16049 -10.15610 -1.11077 -1.06676 -1.05048 -0.93511 -0.90103 -0.86714 -0.85741 -0.79437 -0.77784 -0.76512 -0.74008 -0.73023 -0.71665 -0.69816 -0.68806 -0.65114 -0.64170 -0.61407 -0.60722 -0.59112 -0.57833 -0.57610 -0.53709 -0.53526 -0.52024 -0.50064 -0.49498 -0.48185 -0.47403 -0.47064 -0.47012 -0.46062 -0.45699 -0.44525 -0.44063 -0.43432 -0.42014 -0.41780 -0.41619 -0.40630 -0.40349 -0.39880 -0.39580 -0.39467 -0.39202 -0.38032 -0.37537 -0.37282 -0.36584 -0.36399 -0.35396 -0.35197 -0.34437 -0.32548 -0.32149 -0.30547 -0.28107 -0.27295 -0.26773 -0.26074 -0.25662 -0.24479 -0.22057 -0.05682 -0.02495 -0.01846 -0.01268 0.00109 0.00317 0.01306 0.01420 0.02188 0.02766 0.03080 0.03400 0.03573 0.03648 0.04273 0.04725 0.05028 0.05278 0.05850 0.05911 0.06538 0.06612 0.06935 0.07475 0.07650 0.07877 0.07935 0.08838 0.08945 0.09780 0.10065 0.10468 0.10487 0.10816 0.11147 0.11439 0.11648 0.11882 0.12279 0.12538 0.12715 0.13127 0.13635 0.13957 0.14288 0.14410 0.14754 0.14995 0.15535 0.15588 0.15834 0.16195 0.16482 0.17008 0.17211 0.17443 0.17820 0.18281 0.18500 0.18542 0.18812 0.19137 0.19268 0.19501 0.19684 0.20235 0.20339 0.20691 0.20811 0.21082 0.21267 0.21644 0.21675 0.21955 0.22268 0.22343 0.22452 0.23001 0.23073 0.23519 0.23978 0.24145 0.24299 0.24425 0.24706 0.24971 0.25109 0.25473 0.25918 0.26313 0.26860 0.26997 0.27192 0.27551 0.27821 0.28028 0.28416 0.28679 0.29146 0.29368 0.29875 0.29949 0.30354 0.30450 0.30734 0.31264 0.31604 0.31893 0.32304 0.32680 0.32970 0.33252 0.33656 0.34034 0.34172 0.34775 0.35161 0.35631 0.35996 0.36042 0.36703 0.37076 0.37856 0.37980 0.38243 0.38584 0.39334 0.39721 0.40216 0.40750 0.41221 0.41624 0.42135 0.43019 0.43732 0.44286 0.44413 0.45660 0.46440 0.46855 0.47369 0.48164 0.49110 0.49583 0.50160 0.50399 0.51607 0.51981 0.52704 0.53102 0.54220 0.54618 0.54823 0.55081 0.55344 0.56038 0.56613 0.57189 0.57689 0.57885 0.58575 0.58978 0.59207 0.60417 0.60910 0.61321 0.61717 0.62117 0.62712 0.63725 0.63761 0.64485 0.64950 0.65130 0.65611 0.65874 0.66585 0.67657 0.67839 0.68839 0.69109 0.69199 0.69539 0.69760 0.70385 0.70726 0.71100 0.71501 0.71951 0.72601 0.72899 0.73083 0.73382 0.73516 0.73984 0.74878 0.75001 0.75929 0.76064 0.76411 0.76871 0.77196 0.78061 0.78749 0.78924 0.79589 0.79730 0.80842 0.81390 0.81937 0.83035 0.83748 0.84147 0.84844 0.85470 0.86362 0.87161 0.88139 0.88666 0.89822 0.90418 0.90925 0.91955 0.92968 0.93719 0.94094 0.94839 0.95606 0.96524 0.97301 0.97696 0.99092 0.99842 1.00073 1.00566 1.01349 1.02540 1.03302 1.03586 1.03790 1.04840 1.05727 1.06184 1.06376 1.07209 1.07685 1.09368 1.09994 1.10749 1.11649 1.12141 1.12869 1.13254 1.13591 1.15031 1.15548 1.17922 1.18258 1.19228 1.20257 1.22526 1.23965 1.24353 1.25932 1.26439 1.27724 1.30167 1.31578 1.32897 1.33948 1.35147 1.35404 1.36393 1.37532 1.38091 1.39077 1.39243 1.41160 1.42359 1.43166 1.44316 1.44871 1.45961 1.46912 1.47179 1.47546 1.48397 1.49679 1.50446 1.51888 1.52133 1.52836 1.53493 1.54410 1.54637 1.55977 1.56192 1.56470 1.57097 1.57464 1.57819 1.57926 1.58418 1.58608 1.59624 1.60392 1.60878 1.61274 1.62163 1.63082 1.63797 1.64613 1.64886 1.65563 1.66403 1.66946 1.67468 1.68282 1.68645 1.69775 1.70457 1.70959 1.71503 1.72376 1.73460 1.74635 1.75428 1.75714 1.76412 1.77120 1.77773 1.78374 1.79237 1.80020 1.80296 1.81579 1.81992 1.83204 1.84398 1.84961 1.85514 1.86746 1.87527 1.88058 1.89182 1.89400 1.90027 1.91492 1.91666 1.92147 1.93742 1.93833 1.94884 1.95510 1.96197 1.97920 1.98470 1.98986 1.99227 2.00255 2.00994 2.01101 2.02665 2.04752 2.04815 2.05937 2.07090 2.07545 2.09350 2.10020 2.10589 2.11509 2.11858 2.13485 2.13759 2.14914 2.15532 2.16196 2.16854 2.18169 2.19223 2.20750 2.22513 2.24899 2.26721 2.28117 2.28532 2.30556 2.30934 2.32768 2.33742 2.34750 2.35591 2.37541 2.39240 2.40038 2.41846 2.42786 2.43388 2.43683 2.44176 2.46439 2.47001 2.48067 2.50084 2.50241 2.51889 2.52587 2.53209 2.53666 2.54281 2.55779 2.57143 2.57854 2.58479 2.58829 2.59156 2.59904 2.60681 2.62193 2.62782 2.64111 2.64829 2.65810 2.66484 2.67947 2.69524 2.69839 2.70207 2.70736 2.71794 2.72011 2.74503 2.74805 2.75468 2.75868 2.76694 2.76869 2.78585 2.79532 2.79914 2.80296 2.81250 2.82882 2.83249 2.83606 2.84349 2.85336 2.85498 2.87461 2.87488 2.88565 2.89945 2.91778 2.92348 2.92987 2.94749 2.94840 2.95834 2.96417 2.96969 2.99324 3.00183 3.01536 3.02139 3.02642 3.03973 3.05772 3.07714 3.08789 3.11053 3.13029 3.13767 3.14588 3.14959 3.17084 3.19443 3.20226 3.20903 3.23229 3.24447 3.26387 3.28662 3.29715 3.32064 3.35284 3.38024 3.38417 3.39634 3.40915 3.43456 3.44733 3.46217 3.54748 3.55767 3.58431 3.60401 3.61023 3.62708 3.65052 3.69015 3.71900 3.77376 3.78178 3.79517 3.79843 3.80309 3.81665 3.82508 3.84002 3.84985 3.86987 3.89779 3.94094 4.00831 4.03035 4.04045 4.05577 4.07747 4.09614 4.11482 4.16291 4.18953 4.21626 4.24972 4.29074 4.30483 4.35466 4.39309 4.40028 4.70276 4.85397 4.86780 4.87425 4.98376 5.05571 5.14173 5.18618 5.29328 5.45866 5.47149 5.73917 5.82086 5.84310 23.62088 23.65149 23.87440 23.89267 23.92343 23.93196 23.94875 23.95242 23.96585 23.98428 23.99102 23.99690 24.02584 24.08157 24.09295 24.09905 24.11120 24.18564 24.18857 35.55908 35.64986 49.92383 49.99921 50.04363 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 46 O O O 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 H H H H -0.007008 0.123710 -0.417655 -0.304751 -0.096828 0.292779 -0.298298 0.023780 -0.110752 0.371180 -0.057213 -0.217549 0.311100 -0.177923 -0.272150 0.193850 -0.598528 -0.273750 -0.180384 -0.559550 -0.536998 -0.476512 -0.264319 -0.283474 0.174030 0.189412 0.152326 0.157836 0.161656 0.143414 0.141719 0.162227 0.162734 0.174767 0.175823 0.158327 0.154440 0.164969 0.170290 0.303921 0.177598 0.180260 0.182437 0.171595 0.183993 0.173471 0.00000 -3.0704 5.1154 0.6187 5.9981 -131.1517 -137.3588 -137.5321 8.8756 -11.4416 1.6321 4.1958 -2.0113 -2.1846 8.8756 -11.4416 1.6321 33.9910 57.3478 19.2240 -53.1364 -6.9402 3.3631 21.3669 20.5171 14.5881 0.0437 -5288.0528 -2348.0838 -1736.3564 -43.7269 -156.5461 116.1059 89.9680 -63.7078 1.3728 -1383.8316 -1253.7748 -629.5847 -26.1373 -19.8203 56.2056 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON19 APULGAR 2024-10-09T00:00:00.000 0 Electronic spectrum dimoxystrobin CONF25 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1072.7628771 RMSD=9.600e-09 PG=C01 [X(C19H22N2O3)] 0 0.7044398132 0.4677373847 1.2598324531 0 -0.5601099888 1.4985257947 -2.3306480278 0 -2.6745250844 -1.513315393 0.4053458464 0 -0.7729342067 0.2002133707 -1.8975141247 0 -0.7923198013 -2.2159052128 -0.6540306145 0 -0.9662758754 2.0787815221 0.7290966518 0 0.5055314182 1.7677940666 0.6662257205 0 -1.8853859825 1.2791618813 0.0239514588 0 1.6828787469 -0.3772020054 0.8057233215 0 1.697020103 -1.6412221495 1.4323463507 0 2.5910293652 -0.0665735155 -0.2039519157 0 -1.4403291622 3.1496103278 1.485348942 0 3.5220541811 -1.0190546878 -0.6478239844 0 -3.2507086057 1.5576978561 0.093974231 0 2.6265794798 -2.5718070796 0.9808949442 0 -1.4031141118 0.1251907934 -0.7847968808 0 3.5269287829 -2.2771988389 -0.0492413482 0 -2.804928018 3.4364620814 1.5412107659 0 -3.7100102609 2.6394158325 0.845687822 0 0.7201472151 -1.9458924429 2.5345748784 0 4.4865388554 -0.6613656705 -1.751678851 0 -1.6804243169 -1.2795794157 -0.2903340905 0 -0.921330473 -3.6074404638 -0.2507163026 0 0.1574020642 1.4813799971 -3.5757400174 0 0.8331913004 1.7723765693 -0.373108812 0 1.0933945932 2.5048118074 1.2193057909 0 2.5937901234 0.9147575102 -0.660547383 0 -0.7343728894 3.7611685987 2.0374252923 0 -3.9519975762 0.9320972627 -0.4447796826 0 2.646547826 -3.5546122202 1.4420281148 0 4.2355210369 -3.0303982197 -0.377620838 0 -3.1574664344 4.2735955492 2.1335635751 0 -4.7723926293 2.8520346896 0.8886367152 0 0.8707669035 -1.2788502867 3.3901626788 0 -0.3121559701 -1.7998111702 2.2053657505 0 0.8324615044 -2.9752916485 2.8806849426 0 5.14981876 -1.49642052 -1.9878438962 0 3.9538041554 -0.3835909303 -2.667400751 0 5.1087386629 0.194498281 -1.4694373473 0 0.035634319 -1.9239620992 -1.1527799357 0 -0.05655855 -4.1545366478 -0.623144836 0 -1.8305553071 -4.0500557682 -0.666042646 0 -0.9597036607 -3.6967734418 0.8374270521 0 1.1324955074 1.002923171 -3.4505166421 0 0.2866194515 2.5297304177 -3.8454428297 0 -0.4213561949 0.9652319434 -4.3462934055 Gaussian 16 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C19H22N2O3)] 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 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:.7044,.4677,1.2598;-.5601,1.4985,-2.3306;-2.6745,-1.5133,.4053;-.7729,.2002,-1.8975;-.7923,-2.2159,-.654;-.9663,2.0788,.7291;.5055,1.7678,.6662;-1.8854,1.2792,.024;1.6829,-.3772,.8057;1.697,-1.6412,1.4323;2.591,-.0666,-.204;-1.4403,3.1496,1.4853;3.5221,-1.0191,-.6478;-3.2507,1.5577,.094;2.6266,-2.5718,.9809;-1.4031,.1252,-.7848;3.5269,-2.2772,-.0492;-2.8049,3.4365,1.5412;-3.71,2.6394,.8457;.7201,-1.9459,2.5346;4.4865,-.6614,-1.7517;-1.6804,-1.2796,-.2903;-.9213,-3.6074,-.2507;.1574,1.4814,-3.5757;.8332,1.7724,-.3731;1.0934,2.5048,1.2193;2.5938,.9148,-.6605;-.7344,3.7612,2.0374;-3.952,.9321,-.4448;2.6465,-3.5546,1.442;4.2355,-3.0304,-.3776;-3.1575,4.2736,2.1336;-4.7724,2.852,.8886;.8708,-1.2789,3.3902;-.3122,-1.7998,2.2054;.8325,-2.9753,2.8807;5.1498,-1.4964,-1.9878;3.9538,-.3836,-2.6674;5.1087,.1945,-1.4694;.0356,-1.924,-1.1528;-.0566,-4.1545,-.6231;-1.8306,-4.0501,-.666;-.9597,-3.6968,.8374;1.1325,1.0029,-3.4505;.2866,2.5297,-3.8454;-.4214,.9652,-4.3463; oldchk=opt-b3lyp-pople.chk #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 dimoxystrobin CONF25 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 46 16 16 16 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 1 1 1 1 15.9949146 15.9949146 15.9949146 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 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 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 1 1 1 1 5.6000000 5.6000000 5.6000000 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 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 1278 A 1134 A 1134 1634 1278 87 87 2150.0186977462 46 46 46 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 -0.0533280523 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.943750 0.000000 4.009005 4.585586 0.000000 3.496147 1.385104 3.443166 0.000000 3.620097 4.081907 2.271257 2.717399 0.000000 2.380847 3.140654 3.990751 3.235040 4.515267 0.000000 1.442942 3.192076 4.576734 3.265662 4.392875 1.505617 0.000000 2.982115 2.710833 2.926795 2.468544 3.724238 1.407617 2.523443 0.000000 1.370212 4.287911 4.520843 3.697556 3.411498 3.613274 2.450840 4.010888 0.000000 2.337239 5.395626 4.492382 4.536467 3.298491 4.628837 3.691609 4.831755 1.410887 0.000000 2.446911 4.111210 5.494576 3.775656 4.033516 4.257646 2.910570 4.679876 1.393080 2.440542 0.000000 3.441415 4.250023 4.942927 4.537413 5.812540 1.394030 2.523242 2.415023 4.759698 5.726940 5.426733 0.000000 3.713308 5.082733 6.304844 4.636299 4.477311 5.624732 4.311921 5.913839 2.430502 2.836362 1.403941 6.823008 0.000000 4.265025 3.622377 3.140074 3.456610 4.565443 2.427662 3.805385 1.395203 5.347028 6.041883 6.070661 2.783448 7.284246 0.000000 3.607112 6.139130 5.436301 5.246525 3.806379 5.882175 4.840454 6.008622 2.395318 1.390639 2.771520 7.037673 2.421908 7.237538 0.000000 2.956287 2.233016 2.391156 1.280974 2.422994 2.509824 2.906293 1.489399 3.507920 4.200806 4.040710 3.781807 5.058196 2.497583 5.160416 0.000000 4.149071 6.013718 6.264838 5.295517 4.361816 6.306288 5.099285 6.476589 2.782350 2.438880 2.405558 7.515243 1.393288 7.788666 1.399501 5.533339 0.000000 4.605232 4.877099 5.080107 5.140733 6.388970 2.425586 3.809094 2.793130 5.935098 6.786919 6.665824 1.395541 8.042028 2.413083 8.118776 4.282512 8.675706 0.000000 4.937112 4.616558 4.302477 4.701200 5.859711 2.802853 4.308448 2.419668 6.179388 6.921272 6.937379 2.412658 8.241222 1.395043 8.205333 3.781743 8.794731 1.392196 0.000000 2.729620 6.097005 4.030451 5.145724 3.539445 4.722476 4.162722 4.846959 2.525187 1.503999 3.812029 5.633177 4.340204 5.830898 2.537750 4.451500 3.829346 6.510197 6.595732 0.000000 4.964710 5.519873 7.527245 5.331570 5.611397 6.587552 5.253142 6.893471 3.805465 4.345060 2.518371 7.754331 1.508863 8.258067 3.817878 6.020095 2.535757 8.988927 9.210043 5.848734 0.000000 3.338219 3.624342 1.235653 2.365661 1.340787 3.581597 3.870387 2.586106 3.650676 3.808614 4.441189 4.777909 5.221250 3.265521 4.672917 1.514851 5.307532 5.182674 4.557224 3.766541 6.367822 0.000000 4.640254 5.525169 2.808820 4.151168 1.454537 5.770197 5.636476 4.988359 4.281636 3.681640 4.987644 6.995786 5.157626 5.676572 3.895776 3.801302 4.647273 7.508362 6.928351 3.634974 6.338556 2.448822 0.000000 4.970863 1.437140 5.730363 2.307240 4.807107 4.489004 4.265853 4.143869 4.997862 6.099344 4.437078 5.563305 5.113291 5.008777 6.579368 3.473302 6.157663 6.227434 5.987232 7.028430 5.163331 4.668447 6.173778 0.000000 2.094077 2.418314 4.868864 2.715722 4.315970 2.132328 1.089770 2.791340 2.594668 3.957085 2.549578 3.243383 3.885555 4.116126 4.890961 2.807805 4.874441 4.435055 4.783085 4.721539 4.601142 3.954687 5.660014 3.286064 0.000000 2.074271 4.043372 5.568222 4.302200 5.417608 2.159641 1.093012 3.435727 2.970614 4.195158 3.298575 2.627984 4.669282 4.586352 5.308442 3.988932 5.513522 4.021009 4.819793 4.655965 5.510432 4.928965 6.601493 4.991589 1.771991 0.000000 2.730811 3.616228 5.898035 3.657252 4.611598 3.995013 2.617026 4.545806 2.156124 3.423074 1.082357 5.086606 2.145103 5.927971 3.853770 4.076039 3.381276 6.352392 6.706794 4.680028 2.693925 4.818826 5.742326 3.841275 1.979353 2.883281 0.000000 3.677162 4.922396 5.852184 5.307131 6.555357 2.143812 2.718656 3.396949 4.948364 5.955134 5.543797 1.084973 6.941057 3.868363 7.246988 4.651074 7.679502 2.153802 3.396025 5.910443 7.821383 5.632284 7.717962 6.123751 3.496173 2.363998 5.143713 0.000000 4.980336 3.922020 2.886987 3.571069 4.465117 3.406964 4.669292 2.147335 5.918602 6.485135 6.623182 3.866683 7.727203 1.083253 7.588647 2.695091 8.148029 3.395846 2.153788 6.244062 8.686542 3.174179 5.461685 5.195362 4.858934 5.540631 6.549366 4.951575 0.000000 4.470378 7.074598 5.792704 6.078167 4.243985 6.730222 5.789113 6.776041 3.380751 2.136061 3.857298 7.851818 3.400448 7.920265 1.085794 5.907577 2.151915 8.865864 8.895360 2.737272 4.685745 5.186477 3.949421 7.532268 5.912681 6.259274 4.939522 8.081199 8.199476 0.000000 5.233234 6.879211 7.117817 6.150736 5.100881 7.374770 6.166449 7.496604 3.867265 3.413177 3.393931 8.595257 2.151174 8.792989 2.155125 6.474391 1.085009 9.750391 9.837415 4.692003 2.750156 6.170202 5.190588 6.871329 5.885789 6.562140 4.282474 8.755437 9.096227 2.471995 0.000000 5.492020 5.863144 6.058738 6.207095 7.448370 3.404563 4.674364 3.877536 6.842662 7.683932 7.572731 2.152228 8.964611 3.397752 9.035672 5.366921 9.610343 1.084416 2.152782 7.340213 9.893420 6.236560 8.532047 7.168052 5.335246 4.694069 7.222590 2.478549 4.294735 9.769628 10.691615 0.000000 5.984844 5.471664 4.867330 5.548915 6.626071 3.887145 5.392729 3.399473 7.218405 7.895459 7.995749 3.398126 9.281373 2.149958 9.174495 4.646299 9.801397 2.153677 1.084301 7.476444 10.249052 5.293437 7.606157 6.790599 5.846386 5.885352 7.772623 4.295561 2.477339 9.817945 10.832771 2.485692 0.000000 2.759808 6.518351 4.640388 5.731397 4.472072 4.661512 4.103081 5.046898 2.855140 2.155702 4.164922 5.346096 4.837577 5.991446 3.249490 4.957031 4.458856 6.258077 6.542987 1.095291 6.316140 4.478240 4.678669 7.526723 4.844957 4.367869 4.918229 5.459685 6.546307 3.482487 5.346558 6.973906 7.427455 0.000000 2.658811 5.613905 2.983779 4.587596 2.929136 4.201277 3.970563 4.088239 2.821875 2.158587 4.151796 5.127180 4.842669 4.936186 3.275893 3.719798 4.477692 5.837257 5.753336 1.093329 6.323111 2.893323 3.109816 6.663924 4.552019 4.634400 4.901721 5.579513 5.266407 3.523626 5.372851 6.707251 6.577777 1.753411 0.000000 3.807624 7.008016 4.534714 5.957543 3.963685 5.780004 5.244766 5.800689 3.432018 2.150555 4.590009 6.680342 4.848829 6.707162 2.644024 5.295899 4.041281 7.492355 7.503346 1.091819 6.337612 4.386958 3.644321 7.874202 5.755652 5.732347 5.547530 6.967493 7.015515 2.386683 4.711731 8.308073 8.327087 1.771708 1.774249 0.000000 5.845230 6.456818 8.182176 6.161634 6.132351 7.587519 6.266465 7.825937 4.590898 4.862148 3.431346 8.779449 2.161747 9.177716 4.041856 6.856958 2.646047 10.003277 10.179912 6.346360 1.092259 7.041362 6.658293 6.026021 5.650281 6.538367 3.756165 8.858259 9.545774 4.718744 2.404547 10.921999 11.208634 6.876087 6.892621 6.673021 0.000000 5.167813 4.902161 7.392753 4.824480 5.471447 6.465807 5.256625 6.641104 4.149667 4.845889 2.833061 7.669779 2.160767 7.956054 4.456442 5.700845 3.259253 8.830950 8.956250 6.321224 1.095222 6.180435 6.324595 4.326184 4.432854 5.624171 2.750056 7.829012 8.317018 5.352728 3.511132 9.762623 9.962991 6.855704 6.629325 6.873205 1.769361 0.000000 5.188586 5.880308 8.186002 5.897233 6.426307 6.729775 5.312799 7.233567 4.152073 4.840459 2.829924 7.768767 2.159937 8.612951 4.451706 6.548111 3.260117 9.066446 9.439691 6.314517 1.095124 7.046696 7.231995 5.532478 4.687424 5.356293 2.738255 7.691630 9.148274 5.347415 3.514901 9.897009 10.500465 6.614142 6.845988 6.874422 1.769079 1.761584 0.000000 3.462402 3.668202 3.152991 2.391764 1.009698 4.535112 4.142300 3.915995 2.990254 3.085939 3.298516 5.905872 3.637164 4.947363 3.418372 2.530699 3.678547 6.637810 6.232828 3.750417 4.665124 2.025808 2.136258 4.181138 3.860946 5.134168 3.852893 6.564376 4.955759 4.026030 4.411816 7.707507 7.077757 4.663898 3.378389 4.243709 5.199520 4.474246 5.506772 0.000000 5.048776 5.926740 3.858444 4.593589 2.073786 6.442856 6.087070 5.769612 4.397222 3.690099 4.888444 7.727298 4.757975 6.583804 3.503884 4.489478 4.085969 8.358303 7.852577 3.930976 5.840853 3.318596 1.088966 6.366094 5.998539 7.004566 5.720445 8.378332 6.409376 3.454220 4.443638 9.394066 8.580013 5.023559 3.689246 3.802341 6.002862 5.872140 6.805190 2.294445 0.000000 5.526812 5.930573 2.880141 4.549711 2.107649 6.344765 6.409338 5.373980 5.291519 4.759150 5.969260 7.524357 6.151238 5.834498 4.976311 4.198749 5.676804 7.865705 7.111027 4.601906 7.250345 2.799863 1.093204 6.558589 6.409530 7.420937 6.650130 8.338200 5.419532 4.973317 6.157936 8.881535 7.662264 5.606204 3.951471 4.563557 7.549426 7.134929 8.174074 2.870514 1.777589 0.000000 4.504548 6.098156 2.809768 4.764587 2.108420 5.776575 5.660187 5.126262 4.243089 3.411364 5.183679 6.893749 5.427919 5.780216 3.761324 4.175600 4.788658 7.401568 6.907355 2.961046 6.751202 2.762989 1.092478 6.894726 5.881451 6.543753 6.011444 7.557226 5.659004 3.659344 5.376872 8.368806 7.578002 3.964017 2.426734 2.811991 7.081665 6.885024 7.568990 2.845080 1.777214 1.773023 0.000000 4.759942 2.089172 5.974323 2.585889 4.678259 4.799112 4.233873 4.610406 4.508131 5.581446 3.716359 5.965774 4.201603 5.664245 5.886288 3.782300 5.297281 6.807552 6.677226 6.684823 4.111632 4.807191 5.975983 1.093348 3.186233 4.905552 3.150727 6.419550 5.906906 6.855689 5.944673 7.764214 7.557458 7.215947 6.475442 7.483337 4.952274 3.239672 4.515389 3.879350 6.000606 6.485797 6.697082 0.000000 5.521795 2.018647 6.571438 3.216167 5.819818 4.764401 4.580788 4.610178 5.659783 6.873219 5.031059 5.637725 5.769461 5.382987 7.402340 4.243179 6.929453 6.276613 6.163748 7.805368 5.675056 5.569461 7.214296 1.090172 3.595752 5.128663 4.251439 6.096475 5.664169 8.399157 7.650794 7.116973 6.936065 8.197591 7.464298 8.708846 6.581130 4.829438 5.861019 5.210451 7.428351 7.608193 7.889990 1.789585 0.000000 5.739648 2.089613 5.813608 2.589475 4.887745 5.224607 5.160288 4.619629 5.724789 6.683846 5.224757 6.310140 5.759041 5.298323 7.083748 3.788638 6.675850 6.815504 6.369836 7.558044 5.784918 4.803669 6.158982 1.093217 4.244004 5.969981 4.762182 6.976181 5.261971 7.959001 7.307662 7.773038 7.063713 8.158323 7.112076 8.326404 6.531463 4.876477 6.281105 4.330682 6.340894 6.378338 6.992501 1.793960 1.788781 0.000000 C19H22N2O3 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 0 304.21489999999983 AuxInfo=1/0/N:6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;4;5;1;2;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46nO0O0O0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-.1661,-.0059,-1.5435;1.174,2.0229,1.5615;1.3318,-2.5436,1.1747;.6195,.7714,1.7734;-.6817,-1.6114,1.6599;2.0833,.6419,-1.1087;.7089,1.1391,-1.4703;2.3006,.0138,.1322;-1.4861,.0862,-1.1878;-2.1883,-1.1366,-1.2358;-2.1165,1.2603,-.7822;3.1526,.7873,-1.9911;-3.4605,1.2483,-.3764;3.5707,-.4606,.4616;-3.5189,-1.1297,-.8315;1.1718,-.1594,1.0882;-4.154,.0401,-.3995;4.4258,.3265,-1.6532;4.6341,-.2982,-.4266;-1.4917,-2.3871,-1.6972;-4.1163,2.5317,.0704;.6118,-1.5489,1.3127;-1.3608,-2.8746,1.9025;.4868,2.9982,2.3627;.3651,1.8403,-.7102;.7101,1.648,-2.4376;-1.5801,2.2004,-.7753;2.985,1.2623,-2.952;3.7274,-.9505,1.4149;-4.0742,-2.0626,-.8499;-5.1927,.0059,-.0877;5.2473,.448,-2.3505;5.619,-.6643,-.1589;-1.1549,-2.2905,-2.735;-.5994,-2.5913,-1.0993;-2.1579,-3.2498,-1.6337;-5.1591,2.3696,.3521;-3.5962,2.9618,.933;-4.0946,3.2833,-.7257;-1.218,-.756,1.6688;-2.4083,-2.6661,2.1152;-.9194,-3.3958,2.7562;-1.2962,-3.527,1.0286;-.5701,3.0459,2.0869;.9753,3.9469,2.1393;.5905,2.765,3.4257; 0.3500120 0.1884173 0.1745966 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= 1134 RedAO= T EigKep= 1.09D-06 NBF= 1134 NBsUse= 1127 1.00D-06 EigRej= 8.37D-07 NBFU= 1127 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= 1264 1257 1257 1260 1264 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -1072.76915221670 -1072.83533402120 -0.066181804501 -1072.83540288134 -0.000068860135 -1072.83558802568 -0.000185144345 -1072.83561130602 -0.000023280339 -1072.83561593081 -0.000004624786 -1072.83561615493 -0.000000224123 -1072.83561620207 -0.000000047141 -1072.83561620393 -0.000000001855 -1072.83561620404 -0.000000000111 -1072.83561620397 0.000000000075 -1072.83561620 11 1.067861509007e+03 -6.800517484859e+03 2.509852934213e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1412289030 LenY= 1410654468 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. PT39347.100S Wed Oct 9 22:21:08 2024 -19.18267 -19.15477 -19.10067 -14.38257 -14.34301 -10.28360 -10.23196 -10.23095 -10.22552 -10.21359 -10.19595 -10.19444 -10.19104 -10.18058 -10.18009 -10.17810 -10.17744 -10.17670 -10.17478 -10.16794 -10.16557 -10.16111 -10.15915 -10.15495 -1.10684 -1.06388 -1.04678 -0.93268 -0.89811 -0.86500 -0.85554 -0.79270 -0.77629 -0.76333 -0.73830 -0.72833 -0.71570 -0.69643 -0.68622 -0.65005 -0.64020 -0.61256 -0.60573 -0.58948 -0.57682 -0.57431 -0.53520 -0.53356 -0.51863 -0.49938 -0.49357 -0.48054 -0.47273 -0.46959 -0.46877 -0.45976 -0.45592 -0.44406 -0.43939 -0.43313 -0.41898 -0.41647 -0.41529 -0.40596 -0.40267 -0.39820 -0.39487 -0.39367 -0.39111 -0.37962 -0.37464 -0.37230 -0.36496 -0.36335 -0.35291 -0.35086 -0.34317 -0.32457 -0.32124 -0.30439 -0.28021 -0.27222 -0.26734 -0.26035 -0.25609 -0.24452 -0.22031 -0.05590 -0.02483 -0.01863 -0.01298 0.00088 0.00210 0.01176 0.01315 0.02113 0.02623 0.02980 0.03281 0.03503 0.03526 0.04280 0.04581 0.04888 0.05156 0.05716 0.05763 0.06457 0.06503 0.06754 0.07316 0.07494 0.07761 0.07792 0.08724 0.08827 0.09648 0.09859 0.10216 0.10409 0.10660 0.10936 0.11234 0.11483 0.11690 0.12062 0.12305 0.12537 0.12911 0.13361 0.13716 0.13972 0.14213 0.14565 0.14808 0.15260 0.15343 0.15502 0.15923 0.16115 0.16638 0.16876 0.17030 0.17487 0.17764 0.18081 0.18237 0.18408 0.18657 0.18852 0.19036 0.19336 0.19680 0.19761 0.20046 0.20225 0.20499 0.20746 0.20998 0.21117 0.21460 0.21629 0.21690 0.21865 0.22390 0.22542 0.22948 0.23323 0.23383 0.23631 0.23748 0.23960 0.24145 0.24542 0.24877 0.25176 0.25575 0.25955 0.26079 0.26168 0.26400 0.26947 0.27282 0.27447 0.27807 0.28029 0.28355 0.28722 0.29016 0.29192 0.29372 0.29869 0.30211 0.30478 0.30608 0.30738 0.31363 0.31676 0.31709 0.32114 0.32478 0.32724 0.32885 0.33640 0.33756 0.33916 0.34450 0.34682 0.34981 0.35153 0.35409 0.35737 0.35983 0.36302 0.36699 0.36789 0.37350 0.37950 0.38148 0.38487 0.38650 0.39460 0.39790 0.39981 0.40351 0.40742 0.41039 0.41091 0.42160 0.42281 0.42925 0.43173 0.43485 0.43758 0.43910 0.44317 0.44702 0.45271 0.45828 0.45984 0.46429 0.46721 0.47119 0.47310 0.47798 0.48061 0.48343 0.48724 0.49044 0.49325 0.49520 0.50030 0.50279 0.50516 0.51493 0.51885 0.52198 0.52494 0.52809 0.53515 0.53619 0.53774 0.54217 0.54814 0.55140 0.55284 0.55738 0.56210 0.56758 0.56935 0.57169 0.57376 0.58085 0.58179 0.58349 0.58545 0.58700 0.58965 0.59139 0.59630 0.59911 0.60443 0.60950 0.61311 0.61706 0.61763 0.62107 0.62448 0.63061 0.63379 0.63567 0.63982 0.64141 0.64496 0.64664 0.65318 0.65662 0.66015 0.66207 0.66395 0.66599 0.66878 0.67475 0.67888 0.68395 0.69040 0.69481 0.69522 0.69904 0.70406 0.70765 0.71156 0.71624 0.71759 0.72103 0.72653 0.72786 0.73189 0.73892 0.74389 0.74524 0.74769 0.75431 0.75702 0.76313 0.76687 0.77098 0.77333 0.78025 0.78363 0.78647 0.78977 0.79422 0.79654 0.80570 0.81626 0.81903 0.82405 0.82742 0.83161 0.83524 0.84160 0.84847 0.85384 0.85533 0.86372 0.86557 0.86865 0.87306 0.87640 0.88327 0.88616 0.89174 0.89545 0.90156 0.91432 0.91520 0.91880 0.92541 0.92917 0.92953 0.93661 0.94253 0.94434 0.94878 0.95606 0.96002 0.96413 0.97117 0.97211 0.98296 0.98762 0.99387 1.00036 1.00074 1.00502 1.01293 1.01493 1.02098 1.02786 1.03402 1.03589 1.04491 1.05139 1.05690 1.05880 1.06063 1.06547 1.06936 1.07946 1.08145 1.08511 1.09216 1.09738 1.10135 1.10590 1.11421 1.11531 1.12320 1.12838 1.12975 1.13323 1.13467 1.14197 1.14385 1.14727 1.15286 1.15566 1.16005 1.16353 1.16730 1.17428 1.17837 1.18128 1.18433 1.18981 1.19306 1.19837 1.20158 1.20404 1.21465 1.21546 1.21908 1.21995 1.22143 1.22658 1.23317 1.24000 1.24342 1.24831 1.25486 1.25822 1.26071 1.26625 1.26797 1.27247 1.27547 1.28022 1.28105 1.28297 1.29053 1.29307 1.30007 1.30147 1.30429 1.30996 1.31820 1.32362 1.32835 1.33160 1.33253 1.33363 1.33744 1.34665 1.34798 1.35313 1.35953 1.36026 1.36208 1.36457 1.37445 1.37614 1.38215 1.38961 1.39401 1.40049 1.40392 1.40547 1.41229 1.41486 1.41998 1.42329 1.42579 1.43060 1.43421 1.43771 1.43902 1.44825 1.45384 1.45789 1.46123 1.46673 1.47253 1.47570 1.48630 1.48805 1.49588 1.50056 1.50305 1.50987 1.51891 1.52667 1.52914 1.53055 1.53207 1.53881 1.54146 1.54686 1.55094 1.56394 1.56940 1.57136 1.58305 1.58449 1.58593 1.59546 1.60195 1.61042 1.61684 1.62272 1.63122 1.63271 1.63722 1.64707 1.66225 1.66328 1.67069 1.68089 1.68853 1.69406 1.69997 1.70670 1.71156 1.72080 1.72496 1.73313 1.74013 1.74988 1.76031 1.76264 1.77428 1.78215 1.78609 1.79777 1.80514 1.80971 1.81048 1.81899 1.83352 1.84625 1.86002 1.86347 1.88188 1.88998 1.89147 1.89651 1.90381 1.91245 1.91524 1.92321 1.93924 1.94667 1.95442 1.96223 1.96766 1.98226 1.98367 1.99037 1.99585 2.00660 2.01310 2.01924 2.02502 2.03501 2.04048 2.04949 2.05421 2.05985 2.06343 2.07041 2.07682 2.08105 2.08598 2.09637 2.10215 2.10779 2.11902 2.13030 2.13623 2.13963 2.14093 2.15451 2.15975 2.16527 2.17520 2.18413 2.19055 2.20283 2.20780 2.21684 2.22679 2.24580 2.25237 2.26623 2.27808 2.28175 2.29428 2.29942 2.31734 2.33078 2.33678 2.35420 2.37296 2.37709 2.39575 2.39728 2.40590 2.41781 2.42051 2.43780 2.44646 2.46425 2.47395 2.47871 2.49038 2.50811 2.50864 2.51860 2.52693 2.53670 2.54562 2.55312 2.57146 2.58665 2.59396 2.61232 2.61688 2.64042 2.65709 2.66381 2.67283 2.68424 2.70011 2.70348 2.71936 2.73381 2.73825 2.74776 2.75086 2.75325 2.75932 2.78487 2.79611 2.79827 2.80261 2.80761 2.81651 2.81787 2.82998 2.83172 2.83763 2.85277 2.86045 2.86638 2.87199 2.88180 2.88486 2.88818 2.89590 2.89807 2.90506 2.90757 2.91566 2.92141 2.92498 2.93052 2.93320 2.93713 2.94557 2.94801 2.95581 2.95665 2.96300 2.97672 2.99107 2.99197 3.00214 3.00801 3.01246 3.01918 3.02565 3.02941 3.03736 3.04728 3.05466 3.06435 3.07465 3.08596 3.09039 3.10293 3.11103 3.11601 3.13192 3.13475 3.14177 3.14922 3.15499 3.15551 3.17058 3.17868 3.18032 3.19127 3.19725 3.20260 3.21293 3.21659 3.23411 3.23835 3.24346 3.25106 3.25564 3.25942 3.26178 3.26363 3.26927 3.27914 3.28147 3.29327 3.29814 3.30003 3.30057 3.31099 3.32452 3.32809 3.33212 3.33991 3.34634 3.35359 3.35981 3.36835 3.37631 3.38221 3.38574 3.39178 3.39466 3.40595 3.41194 3.41347 3.43347 3.43828 3.44362 3.44766 3.45680 3.45964 3.47411 3.47555 3.48307 3.49785 3.50191 3.50939 3.51291 3.52025 3.52396 3.52774 3.53095 3.53786 3.54561 3.55860 3.56941 3.57616 3.57922 3.58449 3.59431 3.59993 3.60429 3.61276 3.61773 3.62359 3.63391 3.63777 3.64972 3.65501 3.66832 3.67686 3.68000 3.68764 3.69223 3.70634 3.71374 3.72768 3.73140 3.74064 3.74688 3.76463 3.77455 3.78689 3.80259 3.80784 3.81136 3.82494 3.83016 3.83906 3.84321 3.84721 3.86072 3.86572 3.87346 3.87952 3.88798 3.90254 3.92433 3.93528 3.94561 3.96309 3.97631 3.97914 3.98917 4.00767 4.03539 4.05260 4.05679 4.05891 4.06812 4.09935 4.10686 4.10910 4.12348 4.13911 4.15137 4.15971 4.16948 4.17851 4.19220 4.19874 4.20833 4.21235 4.22039 4.22799 4.23451 4.24615 4.25511 4.26421 4.27063 4.27263 4.28423 4.28657 4.29557 4.30045 4.30603 4.31377 4.31821 4.32509 4.32777 4.34584 4.35138 4.35205 4.35638 4.36000 4.36966 4.37427 4.37801 4.38412 4.39056 4.39259 4.39802 4.40484 4.41285 4.41602 4.42724 4.43893 4.44471 4.45104 4.45255 4.45489 4.46869 4.47959 4.48140 4.48674 4.49283 4.49547 4.50515 4.51827 4.52105 4.52696 4.53334 4.54106 4.54665 4.55652 4.56424 4.57601 4.58288 4.60393 4.61679 4.62625 4.63631 4.64247 4.65288 4.65839 4.66677 4.68216 4.69628 4.71031 4.71188 4.72456 4.73599 4.76153 4.76990 4.77353 4.78731 4.79666 4.81152 4.83052 4.84837 4.85985 4.87925 4.89321 4.90628 4.91239 4.93542 4.96002 4.98241 4.98571 5.00106 5.01130 5.07889 5.09629 5.11007 5.13268 5.15174 5.16253 5.17169 5.22885 5.25842 5.31142 5.32518 5.33292 5.36401 5.37332 5.38375 5.41493 5.46325 5.46909 5.48461 5.48755 5.51882 5.55192 5.57854 5.62300 5.63047 5.66178 5.66635 5.69172 5.71060 5.73347 5.77022 5.77570 5.78999 5.80062 5.81258 5.81674 5.82259 5.83174 5.84679 5.85248 5.87218 5.89461 5.89585 5.91385 5.91738 5.94060 5.95354 5.95562 5.96693 5.97738 6.00369 6.01316 6.06440 6.09918 6.11114 6.12773 6.21352 6.28679 6.33834 6.38696 6.41944 6.46711 6.57222 6.61646 6.66952 6.81544 6.86610 6.98276 7.04862 7.09948 7.13100 7.13484 7.16502 7.18122 7.18994 7.20862 7.21212 7.22501 7.25304 7.25497 7.28413 7.29398 7.31491 7.32368 7.32688 7.33092 7.34656 7.35238 7.35459 7.36374 7.37005 7.38171 7.39515 7.39715 7.40816 7.41587 7.42964 7.43896 7.45269 7.46411 7.48051 7.48088 7.50465 7.51027 7.54232 7.56074 7.56550 7.57794 7.60733 7.60968 7.63439 7.64399 7.67402 7.68077 7.69617 7.70134 7.70761 7.72189 7.78836 7.79748 7.84174 7.85601 7.87841 7.88918 7.90404 7.92953 7.95744 7.96232 7.96771 7.97098 7.97379 7.98136 7.98998 7.99472 8.00664 8.02570 8.06102 8.07682 8.07989 8.10772 8.13554 8.15394 8.17496 8.17580 8.21719 8.25674 8.29150 8.30222 8.31369 8.33066 8.37969 8.39718 8.40246 8.41541 8.45573 8.49649 8.50471 8.53458 8.61783 8.64140 8.78724 8.89516 9.40015 9.40276 10.33072 10.43435 10.46647 10.63111 10.64275 10.85859 11.13485 11.21551 11.26848 11.36592 14.42718 14.45110 14.48776 14.49699 14.51027 14.51240 14.58210 14.63664 14.68521 14.85162 14.87431 15.08918 15.11814 15.14626 15.16402 24.03598 24.14683 24.30278 24.39380 24.43491 24.46556 24.47617 24.95873 24.96620 24.98226 25.00495 25.08852 25.22132 25.36245 25.37413 25.40950 25.41987 25.77434 25.78701 36.17419 36.28605 50.25564 50.33041 50.46302 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 46 O O O 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 H H H H -0.522433 -0.227280 -0.878190 -0.711013 -0.421646 0.800589 -0.125984 0.790414 0.358122 0.529961 -0.655269 -0.547083 0.678248 -0.413931 -0.389752 0.483673 -0.636379 -0.558235 -0.401129 -0.524063 -0.584790 0.587202 -0.115760 -0.172390 0.239326 0.145037 0.154638 0.148867 0.157741 0.139447 0.142361 0.154032 0.153576 0.165582 0.202808 0.137639 0.138160 0.174760 0.173435 0.248205 0.157056 0.150345 0.163847 0.187356 0.158104 0.164794 -0.00000 -2.9615 5.0428 0.5497 5.8739 -131.4178 -137.4789 -137.3306 8.9405 -11.0938 1.6638 3.9913 -2.0698 -1.9215 8.9405 -11.0938 1.6638 34.2453 56.7876 18.8842 -51.1113 -6.5714 3.4174 20.5284 19.6330 14.0101 0.5764 -5308.4306 -2353.0519 -1735.3257 -41.1461 -150.0405 115.8444 87.9885 -60.8601 0.2306 -1383.7505 -1252.6924 -632.2071 -25.0735 -18.4231 55.1575 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON19 APULGAR 2024-10-09T00:00:00.000 0 Single Point dimoxystrobin CONF25 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1072.8356162 RMSD=7.148e-09 Dipole=1.7856804,0.6476465,-1.3162251 Quadrupole=-8.8457463,8.6232212,0.2225252,-5.4775154,-2.8510724,2.4268686 PG=C01 [X(C19H22N2O3)] 0 0.7044398132 0.4677373847 1.2598324531 0 -0.5601099888 1.4985257947 -2.3306480278 0 -2.6745250844 -1.513315393 0.4053458464 0 -0.7729342067 0.2002133707 -1.8975141247 0 -0.7923198013 -2.2159052128 -0.6540306145 0 -0.9662758754 2.0787815221 0.7290966518 0 0.5055314182 1.7677940666 0.6662257205 0 -1.8853859825 1.2791618813 0.0239514588 0 1.6828787469 -0.3772020054 0.8057233215 0 1.697020103 -1.6412221495 1.4323463507 0 2.5910293652 -0.0665735155 -0.2039519157 0 -1.4403291622 3.1496103278 1.485348942 0 3.5220541811 -1.0190546878 -0.6478239844 0 -3.2507086057 1.5576978561 0.093974231 0 2.6265794798 -2.5718070796 0.9808949442 0 -1.4031141118 0.1251907934 -0.7847968808 0 3.5269287829 -2.2771988389 -0.0492413482 0 -2.804928018 3.4364620814 1.5412107659 0 -3.7100102609 2.6394158325 0.845687822 0 0.7201472151 -1.9458924429 2.5345748784 0 4.4865388554 -0.6613656705 -1.751678851 0 -1.6804243169 -1.2795794157 -0.2903340905 0 -0.921330473 -3.6074404638 -0.2507163026 0 0.1574020642 1.4813799971 -3.5757400174 0 0.8331913004 1.7723765693 -0.373108812 0 1.0933945932 2.5048118074 1.2193057909 0 2.5937901234 0.9147575102 -0.660547383 0 -0.7343728894 3.7611685987 2.0374252923 0 -3.9519975762 0.9320972627 -0.4447796826 0 2.646547826 -3.5546122202 1.4420281148 0 4.2355210369 -3.0303982197 -0.377620838 0 -3.1574664344 4.2735955492 2.1335635751 0 -4.7723926293 2.8520346896 0.8886367152 0 0.8707669035 -1.2788502867 3.3901626788 0 -0.3121559701 -1.7998111702 2.2053657505 0 0.8324615044 -2.9752916485 2.8806849426 0 5.14981876 -1.49642052 -1.9878438962 0 3.9538041554 -0.3835909303 -2.667400751 0 5.1087386629 0.194498281 -1.4694373473 0 0.035634319 -1.9239620992 -1.1527799357 0 -0.05655855 -4.1545366478 -0.623144836 0 -1.8305553071 -4.0500557682 -0.666042646 0 -0.9597036607 -3.6967734418 0.8374270521 0 1.1324955074 1.002923171 -3.4505166421 0 0.2866194515 2.5297304177 -3.8454428297 0 -0.4213561949 0.9652319434 -4.3462934055