Gaussian 16 GINC-CIBELES04 PAULAPLA Optimization fenbuconazole CONF5 water EM64L-G16RevC.01 13-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 41 41 88 88 638 (5D, 7F) 6-311+G(d,p) 117 117 C1[X(C19H17ClN4)] C1[X(C19H17ClN4)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) opt freq 319.6830999999998 0 1 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2512743/Gau-1640.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2512743/" chk=/home/paulapla/almacen/ADAMA/censo_results/fenbuconazole/water/CONF5/opt-b3 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 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=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 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 fenbuconazole CONF5 water 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 35 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -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 1 2 2 2 3 4 4 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 13 13 14 14 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 24 3 8 19 23 19 23 12 7 8 9 12 10 25 26 27 28 13 14 11 29 30 15 16 17 31 18 32 21 33 22 34 20 35 20 36 37 38 24 39 24 40 41 1.7348 1.338 1.4403 1.3352 1.3068 1.3095 1.3465 1.1515 1.5492 1.5549 1.5282 1.4625 1.5296 1.0895 1.0911 1.0877 1.0885 1.3892 1.3938 1.5033 1.0922 1.0928 1.3936 1.3895 1.3877 1.082 1.3857 1.0832 1.3832 1.0832 1.3887 1.0833 1.3856 1.0819 1.3877 1.0821 1.0785 1.0819 1.3868 1.0813 1.3825 1.0814 1.0786 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 8 2 19 7 7 7 8 8 9 6 6 6 10 10 25 2 2 2 6 6 27 6 6 13 7 7 7 11 11 29 10 10 15 9 9 17 9 9 18 11 11 21 11 11 22 13 13 20 14 14 20 2 2 4 17 17 18 15 15 24 16 16 24 3 3 4 1 1 21 2 2 2 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 8 19 19 23 23 8 9 12 9 12 12 10 25 26 25 26 26 6 27 28 27 28 28 13 14 14 11 29 30 29 30 30 15 16 16 17 31 31 18 32 32 21 33 33 22 34 34 20 35 35 20 36 36 4 37 37 18 38 38 24 39 39 24 40 40 4 41 41 21 22 22 122.7135 109.5784 127.66 102.3256 102.0161 111.3088 112.0208 108.446 107.1615 106.8929 110.9014 116.0011 109.1302 107.3138 107.425 110.4868 106.0457 114.58 108.2721 107.674 109.1494 109.2755 107.6699 122.8353 118.4623 118.7017 115.0803 109.4278 106.7366 109.4043 109.9901 105.7734 120.7874 120.916 118.2634 120.592 120.7587 118.6342 120.6921 120.7593 118.54 121.2852 119.9906 118.7083 121.3527 119.7721 118.8634 120.3877 119.3853 120.2256 120.225 119.4935 120.2776 110.5794 122.956 126.449 119.3826 120.3128 120.3045 119.0495 120.2677 120.6793 118.928 120.2956 120.7696 115.4994 121.3914 123.1087 119.2947 119.6188 121.0834 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A72 A73 5 5 12 12 6 6 1 1 -1 -2 182.5962 estimate D2E/DX2|estimate D2E/DX2 180.6161 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 8 19 3 3 3 19 19 19 3 3 8 8 2 2 23 23 19 19 8 8 8 9 9 9 12 12 12 7 7 7 9 9 9 12 12 12 7 7 8 8 12 12 6 6 6 25 25 25 26 26 26 6 6 14 14 6 6 13 13 7 7 29 29 30 30 10 10 16 16 10 10 15 15 9 9 31 31 9 9 32 32 11 11 33 33 11 11 34 34 13 13 35 35 14 14 36 36 15 15 39 39 16 16 40 40 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 3 3 8 8 8 8 8 8 19 19 19 19 23 23 19 19 23 23 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 11 11 11 11 11 11 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 20 20 20 20 20 20 20 20 24 24 24 24 24 24 24 24 23 23 6 27 28 6 27 28 4 37 4 37 4 41 2 37 3 41 10 25 26 10 25 26 10 25 26 2 27 28 2 27 28 2 27 28 13 14 13 14 13 14 11 29 30 11 29 30 11 29 30 17 31 17 31 18 32 18 32 15 16 15 16 15 16 21 33 21 33 22 34 22 34 20 35 20 35 20 36 20 36 24 39 24 39 24 40 24 40 18 38 18 38 17 38 17 38 1 22 1 22 1 21 1 21 -177.9165 -0.2608 85.3126 -36.7538 -152.9019 -91.897 146.0366 29.8884 0.3552 179.0018 177.8636 -3.4898 0.0928 -179.6538 -0.2735 -178.8617 0.1103 179.8521 163.0411 41.5851 -72.9075 -76.9985 161.5455 47.0529 45.7247 -75.7313 169.7761 -66.3798 55.2079 172.7133 170.823 -67.5893 49.9161 51.8756 173.4633 -69.0314 118.8984 -60.7933 -118.7471 61.5612 -2.4209 177.8874 53.4614 -70.1828 175.7972 175.822 52.1778 -61.8423 -68.9309 167.425 53.4049 -178.1247 0.447 1.5663 -179.862 178.8626 -0.0561 -0.842 -179.7607 60.7416 -117.1258 -175.6018 6.5308 -59.8282 122.3044 -175.9226 2.6106 2.0002 -179.4666 176.4169 -2.3176 -1.5031 179.7625 -1.0915 178.4715 -179.6931 -0.1301 -0.3667 -179.6546 178.5756 -0.7123 -0.7813 178.5455 -179.3328 -0.0061 -0.1987 -179.2556 178.5469 -0.51 -0.1375 179.7638 -179.6967 0.2045 0.8596 -179.0416 -179.8581 0.2407 178.3631 -0.9949 -0.9608 179.6812 -177.8803 1.4756 1.172 -179.4721 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 662 A 638 A 1017 662 2147.3089379445 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 638 RedAO= T EigKep= 1.00D-06 NBF= 638 NBsUse= 635 1.00D-06 EigRej= 7.81D-07 NBFU= 635 Berny optimization. local minimum Step number 16 out of a maximum of 231 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00255 0.00338 0.00554 0.00883 0.01056 0.01164 0.01677 0.01789 0.01870 0.01931 0.02207 0.02227 0.02238 0.02245 0.02257 0.02264 0.02266 0.02268 0.02271 0.02279 0.02283 0.02287 0.02291 0.02362 0.02517 0.02561 0.02654 0.02689 0.03234 0.03944 0.04098 0.04173 0.04806 0.05278 0.05508 0.06156 0.07008 0.07629 0.07936 0.08846 0.09662 0.09858 0.10125 0.12778 0.13264 0.13629 0.15727 0.15939 0.15970 0.15996 0.15998 0.15999 0.15999 0.16001 0.16010 0.16030 0.16094 0.19399 0.19776 0.20497 0.21975 0.21995 0.22116 0.22988 0.23250 0.23466 0.23699 0.24052 0.24682 0.25009 0.25199 0.25780 0.27496 0.28074 0.28538 0.29248 0.29922 0.31267 0.32466 0.34491 0.34577 0.34754 0.34941 0.34993 0.35176 0.35603 0.35624 0.35659 0.35747 0.35763 0.35773 0.35818 0.35827 0.35865 0.36179 0.36197 0.37255 0.39780 0.43010 0.43161 0.43293 0.43325 0.46521 0.47230 0.47544 0.47816 0.47846 0.48012 0.48092 0.48329 0.49256 0.50792 0.55692 0.60713 0.62860 0.65095 1.33382 -4.04739434e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 3.34526 2.57837 2.74945 2.54264 2.49552 2.50536 2.57542 2.18178 2.95408 2.96602 2.91389 2.77266 2.91091 2.06067 2.06237 2.05456 2.05831 2.63833 2.64665 2.85689 2.06542 2.06895 2.64525 2.63962 2.63611 2.04612 2.63118 2.04712 2.62876 2.04906 2.63607 2.04911 2.63207 2.04851 2.63597 2.04872 2.03758 2.04854 2.63038 2.04573 2.62340 2.04601 2.03874 2.13954 1.90891 2.23404 1.79104 1.79179 1.92946 1.96335 1.89564 1.86522 1.87328 1.93493 2.03572 1.88758 1.86394 1.87559 1.92787 1.86623 2.00643 1.87853 1.87520 1.89727 1.90300 1.90123 2.13837 2.07270 2.07211 2.01735 1.90768 1.85874 1.90555 1.90969 1.85804 2.10834 2.10851 2.06578 2.10556 2.10046 2.07676 2.10562 2.10203 2.07534 2.11679 2.08926 2.07669 2.11819 2.08780 2.07686 2.10002 2.08449 2.09864 2.09943 2.08564 2.09805 1.92783 2.14220 2.21309 2.08347 2.10003 2.09966 2.07251 2.10710 2.10348 2.07070 2.10645 2.10584 2.00521 2.12441 2.15354 2.07839 2.08284 2.12191 3.17929 3.16614 -3.10738 -0.00284 1.54560 -0.57101 -2.61609 -1.55164 2.61494 0.56986 0.00415 3.13325 3.10612 -0.04796 0.00070 -3.13317 -0.00344 -3.13192 0.00168 3.13541 2.86456 0.74954 -1.25360 -1.33500 2.83317 0.83002 0.81358 -1.30144 2.97860 -1.12636 0.98000 3.05050 3.01489 -1.16193 0.90856 0.93832 3.04469 -1.16800 2.06677 -1.06984 -2.09576 1.05081 -0.05966 3.08692 0.99035 -1.16718 3.11529 3.11168 0.95415 -1.04656 -1.14161 2.98405 0.98333 -3.11707 -0.00628 0.01955 3.13034 3.12645 0.00627 -0.01036 -3.13053 1.05372 -2.05144 -3.07082 0.10720 -1.04369 2.13433 -3.07706 0.03188 0.02898 3.13792 3.08406 -0.02945 -0.02198 -3.13549 -0.01456 3.11719 -3.12577 0.00599 -0.00392 -3.13395 3.11658 -0.01345 -0.01023 3.11678 -3.11940 0.00762 -0.00355 -3.12396 3.11014 -0.01027 0.00002 3.13565 -3.13165 0.00397 0.00913 -3.12649 3.13908 0.00346 3.11482 -0.01652 -0.01223 3.13962 -3.10804 0.02327 0.01238 -3.13949 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 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 0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 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 -0.00002 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 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00003 -0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 0.00005 -0.00004 -0.00000 -0.00002 -0.00002 0.00000 0.00000 -0.00001 -0.00000 -0.00001 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 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00002 -0.00000 0.00002 0.00001 0.00000 -0.00003 -0.00002 0.00002 0.00008 0.00001 -0.00005 0.00000 -0.00001 -0.00001 -0.00002 0.00005 -0.00001 -0.00002 -0.00002 0.00002 -0.00000 0.00003 -0.00000 -0.00002 0.00001 0.00000 0.00002 -0.00002 0.00004 -0.00002 0.00001 -0.00003 0.00003 -0.00003 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00015 -0.00010 -0.00001 -0.00002 0.00025 0.00028 0.00029 0.00026 0.00029 0.00030 0.00001 0.00001 -0.00000 0.00000 0.00003 0.00001 0.00001 0.00000 -0.00003 -0.00000 -0.00001 0.00003 0.00006 0.00006 0.00010 0.00012 -0.00001 0.00003 0.00006 0.00007 0.00003 0.00004 0.00006 0.00002 0.00003 0.00008 0.00003 0.00005 -0.00031 -0.00019 -0.00031 -0.00019 -0.00028 -0.00016 -0.00000 0.00003 0.00005 -0.00003 0.00000 0.00002 -0.00003 -0.00000 0.00002 0.00015 0.00010 0.00003 -0.00002 -0.00014 -0.00006 -0.00002 0.00006 -0.00026 -0.00027 -0.00029 -0.00031 -0.00033 -0.00035 0.00003 -0.00001 0.00005 0.00001 -0.00002 0.00002 -0.00003 0.00001 -0.00002 -0.00003 0.00003 0.00001 0.00001 0.00001 -0.00007 -0.00007 -0.00003 -0.00004 0.00001 -0.00000 0.00001 0.00001 -0.00003 -0.00003 0.00000 0.00001 0.00002 0.00002 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00002 0.00001 0.00002 0.00001 0.00000 0.00000 0.00001 0.00002 0.00001 0.00001 0.00000 0.00000 -0.00001 0.00002 0.00000 0.00002 -0.00002 0.00000 0.00000 0.00001 0.00000 0.00002 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 0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00006 -0.00002 0.00006 0.00003 -0.00002 0.00001 -0.00002 0.00005 -0.00003 0.00002 0.00000 -0.00003 0.00004 -0.00002 0.00001 -0.00000 -0.00001 0.00002 -0.00001 0.00000 0.00004 -0.00003 0.00003 -0.00004 0.00000 -0.00003 0.00003 -0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00014 0.00017 -0.00017 -0.00024 -0.00002 0.00003 0.00003 0.00006 0.00011 0.00010 0.00001 0.00007 -0.00006 -0.00000 0.00040 -0.00004 0.00021 0.00016 -0.00039 0.00005 0.00004 -0.00001 -0.00004 0.00001 -0.00005 -0.00007 0.00001 -0.00005 -0.00007 -0.00008 -0.00014 -0.00014 -0.00006 -0.00012 -0.00012 -0.00012 -0.00017 -0.00018 0.00005 0.00001 0.00003 -0.00002 0.00010 0.00006 -0.00002 -0.00009 -0.00009 0.00002 -0.00005 -0.00006 0.00005 -0.00002 -0.00002 -0.00008 -0.00005 -0.00003 -0.00001 0.00009 -0.00002 0.00005 -0.00007 -0.00006 -0.00002 0.00001 0.00005 0.00001 0.00005 -0.00006 -0.00007 -0.00010 -0.00011 0.00007 0.00004 0.00011 0.00008 -0.00001 0.00002 -0.00003 -0.00000 -0.00002 -0.00004 0.00009 0.00007 0.00001 0.00002 0.00002 0.00003 -0.00004 -0.00003 -0.00001 0.00000 0.00003 0.00001 0.00001 -0.00002 -0.00002 0.00000 0.00000 0.00002 0.00007 0.00007 0.00005 0.00006 -0.00006 -0.00006 -0.00007 -0.00007 -0.00003 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00004 -0.00002 -0.00000 -0.00001 -0.00004 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -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 -0.00002 -0.00001 0.00003 0.00001 -0.00000 -0.00004 -0.00002 -0.00004 0.00006 0.00007 -0.00002 -0.00002 0.00000 -0.00003 0.00002 0.00002 0.00001 -0.00002 -0.00005 0.00006 -0.00003 0.00004 -0.00000 -0.00003 0.00003 -0.00001 0.00003 0.00002 0.00000 0.00000 -0.00003 -0.00003 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00007 -0.00019 -0.00026 0.00023 0.00031 0.00031 0.00032 0.00040 0.00040 0.00002 0.00008 -0.00006 0.00000 0.00043 -0.00003 0.00023 0.00016 -0.00042 0.00005 0.00003 0.00001 0.00002 0.00007 0.00005 0.00005 0.00000 -0.00002 -0.00001 -0.00001 -0.00011 -0.00010 0.00000 -0.00010 -0.00009 -0.00004 -0.00014 -0.00013 -0.00026 -0.00018 -0.00028 -0.00021 -0.00018 -0.00010 -0.00002 -0.00006 -0.00004 -0.00002 -0.00005 -0.00003 0.00002 -0.00002 -0.00000 0.00007 0.00004 -0.00000 -0.00003 -0.00005 -0.00008 0.00002 -0.00001 -0.00032 -0.00030 -0.00028 -0.00025 -0.00032 -0.00030 -0.00003 -0.00007 -0.00005 -0.00010 0.00006 0.00007 0.00008 0.00009 -0.00003 -0.00001 -0.00000 0.00001 -0.00001 -0.00003 0.00002 0.00000 -0.00003 -0.00001 0.00002 0.00003 -0.00003 -0.00002 -0.00004 -0.00003 0.00004 0.00002 0.00003 0.00001 -0.00002 0.00000 -0.00000 0.00002 0.00007 0.00008 0.00005 0.00007 -0.00004 -0.00005 -0.00005 -0.00006 3.34523 2.57836 2.74946 2.54265 2.49553 2.50537 2.57541 2.18178 2.95412 2.96600 2.91388 2.77265 2.91087 2.06068 2.06238 2.05456 2.05831 2.63834 2.64666 2.85688 2.06542 2.06896 2.64526 2.63962 2.63611 2.04612 2.63118 2.04712 2.62876 2.04906 2.63607 2.04912 2.63208 2.04851 2.63597 2.04872 2.03758 2.04854 2.63039 2.04574 2.62341 2.04601 2.03874 2.13952 1.90890 2.23407 1.79105 1.79178 1.92942 1.96333 1.89560 1.86528 1.87335 1.93491 2.03570 1.88758 1.86391 1.87562 1.92789 1.86624 2.00640 1.87848 1.87526 1.89724 1.90304 1.90122 2.13834 2.07274 2.07210 2.01737 1.90769 1.85874 1.90555 1.90966 1.85801 2.10834 2.10851 2.06578 2.10557 2.10046 2.07675 2.10562 2.10203 2.07534 2.11679 2.08925 2.07669 2.11819 2.08781 2.07685 2.10001 2.08450 2.09863 2.09944 2.08564 2.09805 1.92783 2.14221 2.21307 2.08347 2.10003 2.09967 2.07252 2.10710 2.10347 2.07071 2.10644 2.10584 2.00520 2.12441 2.15355 2.07840 2.08284 2.12190 3.17928 3.16621 -3.10757 -0.00310 1.54582 -0.57070 -2.61578 -1.55132 2.61534 0.57026 0.00417 3.13333 3.10606 -0.04796 0.00113 -3.13320 -0.00322 -3.13176 0.00126 3.13545 2.86459 0.74956 -1.25359 -1.33494 2.83321 0.83007 0.81358 -1.30146 2.97858 -1.12636 0.97990 3.05040 3.01489 -1.16203 0.90847 0.93828 3.04455 -1.16814 2.06652 -1.07002 -2.09604 1.05060 -0.05983 3.08682 0.99032 -1.16724 3.11525 3.11166 0.95410 -1.04660 -1.14159 2.98403 0.98333 -3.11700 -0.00623 0.01954 3.13031 3.12640 0.00619 -0.01033 -3.13054 1.05340 -2.05174 -3.07110 0.10694 -1.04401 2.13403 -3.07709 0.03180 0.02893 3.13782 3.08412 -0.02938 -0.02190 -3.13540 -0.01459 3.11718 -3.12577 0.00600 -0.00393 -3.13398 3.11660 -0.01345 -0.01026 3.11677 -3.11938 0.00765 -0.00358 -3.12398 3.11010 -0.01030 0.00006 3.13567 -3.13162 0.00398 0.00912 -3.12649 3.13908 0.00347 3.11489 -0.01644 -0.01217 3.13969 -3.10808 0.02322 0.01233 -3.13955 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000015 0.000003 0.001174 0.000247 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.949063e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 1 2 2 2 3 4 4 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 13 13 14 14 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 24 3 8 19 23 19 23 12 7 8 9 12 10 25 26 27 28 13 14 11 29 30 15 16 17 31 18 32 21 33 22 34 20 35 20 36 37 38 24 39 24 40 41 1.7702 1.3644 1.4549 1.3455 1.3206 1.3258 1.3629 1.1545 1.5632 1.5696 1.542 1.4672 1.5404 1.0905 1.0914 1.0872 1.0892 1.3961 1.4005 1.5118 1.093 1.0948 1.3998 1.3968 1.395 1.0828 1.3924 1.0833 1.3911 1.0843 1.3949 1.0843 1.3928 1.084 1.3949 1.0841 1.0782 1.084 1.3919 1.0826 1.3882 1.0827 1.0789 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 3 3 8 2 19 7 7 7 8 8 9 6 6 6 10 10 25 2 2 2 6 6 27 6 6 13 7 7 7 11 11 29 10 10 15 9 9 17 9 9 18 11 11 21 11 11 22 13 13 20 14 14 20 2 2 4 17 17 18 15 15 24 16 16 24 3 3 4 1 1 21 2 2 2 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 8 19 19 23 23 8 9 12 9 12 12 10 25 26 25 26 26 6 27 28 27 28 28 13 14 14 11 29 30 29 30 30 15 16 16 17 31 31 18 32 32 21 33 33 22 34 34 20 35 35 20 36 36 4 37 37 18 38 38 24 39 39 24 40 40 4 41 41 21 22 22 122.5865 109.3727 128.0011 102.6189 102.6618 110.5499 112.4914 108.6124 106.8695 107.331 110.8632 116.638 108.1503 106.7959 107.4636 110.4589 106.9273 114.9597 107.6316 107.4413 108.7054 109.0336 108.9323 122.5194 118.757 118.7229 115.5854 109.3018 106.4977 109.1799 109.4171 106.4578 120.7989 120.8088 118.3605 120.6397 120.3478 118.9895 120.6433 120.4375 118.9081 121.283 119.7056 118.9855 121.3635 119.6222 118.9951 120.322 119.4325 120.243 120.2887 119.4985 120.2095 110.4562 122.7389 126.8005 119.3741 120.3231 120.3019 118.7463 120.7277 120.5207 118.6425 120.6906 120.6556 114.8898 121.7197 123.3889 119.0832 119.3378 121.5765 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A72 5 12 6 1 -1 182.1599 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 8 19 3 3 3 19 19 19 3 3 8 8 2 2 23 23 19 19 8 8 8 9 9 9 12 12 12 7 7 7 9 9 9 12 12 12 7 7 8 8 12 12 6 6 6 25 25 25 26 26 26 6 6 14 14 6 6 13 13 7 7 29 29 30 30 10 10 16 16 10 10 15 15 9 9 31 31 9 9 32 32 11 11 33 33 11 11 34 34 13 13 35 35 14 14 36 36 15 15 39 39 16 16 40 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 3 3 8 8 8 8 8 8 19 19 19 19 23 23 19 19 23 23 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 11 11 11 11 11 11 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 20 20 20 20 20 20 20 20 24 24 24 24 24 24 24 23 23 6 27 28 6 27 28 4 37 4 37 4 41 2 37 3 41 10 25 26 10 25 26 10 25 26 2 27 28 2 27 28 2 27 28 13 14 13 14 13 14 11 29 30 11 29 30 11 29 30 17 31 17 31 18 32 18 32 15 16 15 16 15 16 21 33 21 33 22 34 22 34 20 35 20 35 20 36 20 36 24 39 24 39 24 40 24 40 18 38 18 38 17 38 17 38 1 22 1 22 1 21 1 -178.04 -0.1627 88.5563 -32.7163 -149.8908 -88.9022 149.8252 32.6507 0.2376 179.522 177.9678 -2.7478 0.0401 -179.5175 -0.1973 -179.4456 0.0963 179.6455 164.1271 42.9457 -71.8263 -76.4901 162.3285 47.5565 46.6145 -74.5669 170.6611 -64.5355 56.1501 174.7808 172.7405 -66.5739 52.0568 53.762 174.4476 -66.9217 118.4174 -61.2972 -120.0785 60.2069 -3.418 176.8674 56.7426 -66.8744 178.493 178.286 54.6689 -59.9637 -65.4095 170.9735 56.3409 -178.5949 -0.3596 1.1199 179.3551 179.1323 0.3594 -0.5933 -179.3662 60.374 -117.5391 -175.9451 6.1419 -59.799 122.288 -176.3024 1.8265 1.6607 179.7895 176.7038 -1.6874 -1.2591 -179.6502 -0.8344 178.6019 -179.0933 0.3429 -0.2246 -179.5621 178.5668 -0.7706 -0.5864 178.5784 -178.7284 0.4363 -0.2032 -178.9897 178.1978 -0.5887 0.0014 179.6593 -179.4303 0.2276 0.5232 -179.1348 179.8559 0.198 178.4661 -0.9465 -0.7005 179.887 -178.0775 1.3336 0.7094 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3 -0.0554865777 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 9.116017 0.000000 9.821183 1.337961 0.000000 10.837418 2.174032 2.244070 0.000000 7.064156 3.486268 4.382224 4.248717 0.000000 6.607356 2.520958 3.302035 4.431970 2.613240 0.000000 6.750233 3.108978 3.268991 4.847116 3.429400 1.549200 0.000000 7.978149 1.440251 2.438712 3.571285 3.389332 1.554932 2.562926 0.000000 5.560609 3.795924 4.656352 5.795241 3.486326 1.528190 2.551611 2.481021 0.000000 6.015485 4.392519 4.518629 5.825819 3.551622 2.611020 1.529616 3.943823 3.289408 0.000000 4.514736 5.386382 5.752028 6.972356 3.939453 3.104005 2.559101 4.621685 3.084007 1.503282 0.000000 6.714428 2.839339 3.750005 4.160918 1.151454 1.462484 2.443900 2.424517 2.463516 2.889228 3.335395 0.000000 4.726921 4.786971 5.789354 6.582707 3.494394 2.562751 3.638470 3.570319 1.389246 3.948298 3.312099 2.810790 0.000000 5.825751 4.400117 5.072097 6.545987 4.833165 2.511631 3.088348 3.000671 1.393806 3.972890 3.743724 3.752459 2.394275 0.000000 3.982601 6.054687 6.398470 7.871363 5.074791 3.683863 3.152706 5.068313 3.188252 2.519263 1.393616 4.306179 3.464360 3.338331 0.000000 3.986518 6.024199 6.558704 7.408967 3.723253 3.762902 3.613552 5.312829 3.655083 2.517317 1.389486 3.485408 3.359596 4.574563 2.388873 0.000000 4.093092 6.023421 7.015808 7.884932 4.828868 3.833015 4.774914 4.708300 2.412035 5.003951 4.087492 4.197989 1.387686 2.765183 3.827701 4.068628 0.000000 5.336402 5.716018 6.433463 7.849037 5.870121 3.798885 4.374294 4.287541 2.415478 5.030776 4.454554 4.878400 2.768474 1.385704 3.727587 5.126996 2.394269 0.000000 9.789291 1.335164 2.184041 1.309450 3.398676 3.412018 4.162095 2.491337 4.651349 5.231308 6.191091 3.175124 5.379699 5.450018 7.019089 6.592316 6.650049 6.701179 0.000000 4.450353 6.422929 7.298167 8.451412 5.874522 4.322962 5.081042 5.006207 2.795712 5.473689 4.602925 5.063426 2.406436 2.404560 3.953459 4.908037 1.385625 1.387705 7.232284 0.000000 2.699498 7.139082 7.620403 8.989657 5.834900 4.659131 4.424305 6.030760 3.799041 3.796423 2.420225 5.165816 3.634847 3.864534 1.383207 2.770504 3.519272 3.771034 8.040536 3.592213 0.000000 2.700260 7.122942 7.765601 8.593476 4.704892 4.732332 4.774236 6.249800 4.212113 3.800288 2.422181 4.508096 3.544880 4.989373 2.772422 1.388668 3.791118 5.177365 7.677534 4.637878 2.411281 0.000000 10.789682 2.060189 1.306813 1.346496 4.706575 4.294420 4.325024 3.453690 5.716606 5.378938 6.669705 4.369259 6.717723 6.275360 7.469277 7.327898 8.003535 7.632146 2.064424 8.410483 8.692683 8.579296 0.000000 1.734804 7.599675 8.215959 9.297750 5.659212 5.093519 5.084205 6.545380 4.251648 4.282239 2.780443 5.232692 3.655003 4.656650 2.387362 2.386814 3.484248 4.536495 8.318831 3.969618 1.386841 1.382473 9.175100 0.000000 7.794429 2.673098 2.460368 4.133291 3.643279 2.166412 1.089511 2.652312 3.461181 2.127175 3.460218 2.809354 4.571576 3.966398 4.150577 4.438786 5.772940 5.309048 3.702211 6.087139 5.464010 5.695330 3.435146 6.106020 0.000000 6.771578 3.619009 3.652135 5.524026 4.426678 2.143974 1.091100 2.871434 2.658673 2.167596 2.897217 3.363654 3.897016 2.659731 2.993522 4.150623 4.811449 3.883100 4.833217 4.812623 4.254382 5.149068 4.854792 5.171286 1.742038 0.000000 8.228978 2.059049 2.596670 4.187438 4.406144 2.170355 2.751469 1.087681 2.761505 4.255396 4.929136 3.366182 4.033507 2.745426 5.120531 5.824020 4.982603 4.006912 3.277100 4.979513 6.101526 6.717830 3.790572 6.817719 2.837670 2.638623 0.000000 8.071606 2.052106 3.262029 3.885104 3.539493 2.172595 3.495361 1.088522 2.617204 4.760477 5.216306 2.730743 3.412388 3.172524 5.617234 5.725594 4.440685 4.251374 2.642324 4.796432 6.397139 6.504307 4.078563 6.787683 3.699719 3.789174 1.756893 0.000000 6.466725 4.386602 4.533816 5.464253 3.007721 2.939829 2.154961 4.208847 3.851964 1.092155 2.131569 2.678760 4.332557 4.771415 3.406958 2.588179 5.504897 5.862514 4.978819 6.178264 4.551538 3.975364 5.159092 4.761429 2.398532 3.055323 4.731822 4.975374 0.000000 6.510678 5.007948 4.858393 6.352830 4.553392 3.508288 2.120509 4.673442 4.176545 1.092765 2.139428 3.914697 4.928916 4.614085 2.821543 3.239752 5.885532 5.633150 5.919493 6.198746 4.146564 4.447348 5.710941 4.795379 2.420818 2.412543 4.809536 5.590323 1.742351 0.000000 4.890317 4.851516 5.910777 6.380471 2.795470 2.793777 3.909011 3.861233 2.153622 4.012684 3.424619 2.447352 1.081958 3.384488 3.931102 3.098956 2.129628 3.850160 5.210791 3.376021 4.114706 3.331779 6.674287 3.821566 4.739051 4.423958 4.553067 3.669667 4.123316 5.072128 0.000000 6.684896 4.142858 4.577401 6.312431 5.272936 2.707726 2.935191 2.863497 2.158776 4.050825 4.141460 4.131242 3.384949 1.083202 3.725321 5.182416 3.848037 2.127856 5.340998 3.375475 4.470623 5.760177 5.850312 5.431932 3.627678 2.234373 2.252106 3.263665 4.911691 4.503681 4.295394 0.000000 4.826652 5.954834 6.140080 7.853730 5.608174 3.790034 3.028816 4.971613 3.375713 2.727961 2.150500 4.702398 3.994095 3.152100 1.083207 3.376083 4.345781 3.601142 7.057850 4.175025 2.127444 3.855538 7.293528 3.364003 3.946408 2.517478 4.803306 5.620600 3.775372 2.758715 4.620186 3.242515 0.000000 4.833593 5.894378 6.431627 6.997080 3.180482 3.921922 3.838388 5.404777 4.133138 2.722616 2.144503 3.258930 3.826188 5.236633 3.375374 1.083254 4.718399 5.927083 6.272486 5.705453 3.853660 2.134042 7.027723 3.364077 4.469756 4.595637 6.067180 5.808029 2.334214 3.485160 3.291698 5.807375 4.279072 0.000000 3.757181 6.856157 7.905633 8.590945 5.230066 4.698088 5.661764 5.607867 3.386158 5.717355 4.669156 4.804387 2.137608 3.846942 4.482313 4.343825 1.081854 3.378523 7.348568 2.144673 3.933182 3.780976 8.819135 3.531826 6.653096 5.790237 5.978112 5.258543 6.103813 6.623575 2.437033 4.929787 5.144576 4.924346 0.000000 5.926370 6.367016 6.963593 8.530360 6.874875 4.648579 5.052390 4.966695 3.390808 5.762752 5.239181 5.841305 3.850505 2.137171 4.334384 6.025520 3.378751 1.082080 7.429157 2.147281 4.335952 6.046688 8.208716 5.254269 5.924175 4.373231 4.477512 4.968207 6.675396 6.223214 4.932234 2.436011 3.992301 6.876560 4.278780 0.000000 9.623081 2.124227 3.210440 2.134410 3.181628 3.624068 4.673129 2.812335 4.642469 5.651355 6.406806 3.147639 5.123547 5.555681 7.244057 6.623602 6.342777 6.689714 1.078456 7.040957 8.127650 7.585336 3.121959 8.264174 4.417372 5.379241 3.725083 2.562029 5.360775 6.470024 4.840379 5.632495 7.403549 6.271572 6.928600 7.486566 0.000000 4.427248 7.475116 8.349134 9.503713 6.881296 5.404677 6.119814 6.050417 3.877595 6.441872 5.461163 6.115838 3.387859 3.386130 4.675491 5.688132 2.145660 2.147444 8.271979 1.081936 4.052250 5.203320 9.470830 4.354847 7.136185 5.792431 5.972445 5.788564 7.164432 7.117177 4.266544 4.266119 4.887284 6.531081 2.476316 2.479222 8.042492 0.000000 2.847786 7.795973 8.248123 9.747043 6.785501 5.363218 5.122781 6.605786 4.354734 4.659671 3.398118 6.039487 4.252302 4.086935 2.142496 3.851802 3.857280 3.690556 8.774814 3.557234 1.081319 3.391682 9.390228 2.150089 6.159367 4.750052 6.527183 6.941096 5.507949 4.895296 4.890114 4.626755 2.448609 4.934940 4.274220 4.009041 8.876416 3.783971 0.000000 2.852577 7.769401 8.484615 9.088771 4.986532 5.476122 5.652907 6.958694 4.985985 4.663516 3.399447 5.016222 4.117445 5.867383 3.853859 2.147807 4.294365 6.001731 8.176126 5.290340 3.393072 1.081441 9.201868 2.147197 6.519964 6.124764 7.527010 7.116923 4.645665 5.341864 3.683080 6.698848 4.936979 2.457184 4.026933 6.905132 7.977715 5.770699 4.287698 0.000000 11.610910 3.098991 2.083115 2.136087 5.602145 5.211865 5.008263 4.441626 6.653811 5.961221 7.346207 5.305746 7.696898 7.145561 8.146567 8.053553 8.983676 8.512822 3.105967 9.351477 9.426614 9.353891 1.078553 9.956271 4.007423 5.477360 4.653059 5.121898 5.716725 6.125951 7.660099 6.631766 7.906047 7.729658 9.815935 9.034236 4.134552 10.410892 10.114783 9.992584 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5270759 0.1358414 0.1257516 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 9.307769 0.000000 9.995311 1.364412 0.000000 11.085953 2.194305 2.261905 0.000000 7.326310 3.558847 4.529673 4.354229 0.000000 6.757328 2.551009 3.376168 4.474307 2.621133 0.000000 6.822997 3.112455 3.316350 4.841386 3.443487 1.563234 0.000000 8.143416 1.454947 2.473213 3.608189 3.420754 1.569551 2.574824 0.000000 5.711992 3.834191 4.718116 5.859422 3.503377 1.541962 2.581775 2.499156 0.000000 6.066961 4.426119 4.601130 5.848413 3.590534 2.641162 1.540385 3.976883 3.331043 0.000000 4.557325 5.469461 5.857202 7.066595 4.064349 3.177748 2.582575 4.694514 3.162965 1.511799 0.000000 6.937175 2.895661 3.872600 4.236953 1.154547 1.467228 2.461818 2.447094 2.478279 2.934144 3.453828 0.000000 4.958947 4.844971 5.875438 6.676141 3.506911 2.577111 3.666800 3.600801 1.396146 3.988323 3.412323 2.822725 0.000000 5.906396 4.421631 5.097850 6.591196 4.857390 2.533205 3.131699 3.011048 1.400549 4.022349 3.795968 3.774549 2.406276 0.000000 4.023417 6.124149 6.456674 7.946035 5.216967 3.777227 3.177775 5.146278 3.319744 2.532217 1.399808 4.440302 3.644113 3.434830 0.000000 4.025888 6.153954 6.722913 7.576582 3.889140 3.838244 3.643774 5.406991 3.708999 2.529783 1.396827 3.625497 3.428679 4.596130 2.401703 0.000000 4.339905 6.081772 7.094604 7.982240 4.846989 3.856332 4.817152 4.740596 2.424930 5.056842 4.185352 4.217089 1.394970 2.780385 4.025267 4.117116 0.000000 5.406694 5.745338 6.461500 7.906242 5.896624 3.825559 4.424920 4.304712 2.426535 5.087882 4.510152 4.903833 2.781330 1.392361 3.845883 5.136367 2.406594 0.000000 10.032791 1.345510 2.211323 1.325781 3.446827 3.430469 4.142107 2.517503 4.699607 5.235603 6.272769 3.206535 5.451331 5.490247 7.100949 6.731230 6.728826 6.754890 0.000000 4.599370 6.468654 7.351757 8.532067 5.899220 4.351045 5.132627 5.032520 2.809738 5.534547 4.681683 5.088367 2.418216 2.417337 4.123063 4.930558 1.392833 1.394894 7.302590 0.000000 2.732522 7.245801 7.705135 9.117207 6.022980 4.773589 4.460934 6.137907 3.948066 3.816937 2.432457 5.334709 3.861999 3.960201 1.391082 2.786178 3.779438 3.890450 8.176431 3.797287 0.000000 2.732967 7.278853 7.938540 8.800908 4.912681 4.830282 4.813224 6.368306 4.292095 3.819211 2.434184 4.679069 3.666210 5.017726 2.788206 1.394946 3.885987 5.187900 7.861912 4.676301 2.426607 0.000000 11.003508 2.095900 1.320572 1.362853 4.867356 4.369183 4.357958 3.501118 5.792965 5.447765 6.781052 4.496060 6.823406 6.318704 7.535730 7.513294 8.105355 7.681086 2.099326 8.487065 8.796891 8.784100 0.000000 1.770233 7.739607 8.347847 9.479474 5.869866 5.203992 5.120152 6.665071 4.370149 4.298040 2.787514 5.411785 3.850442 4.712545 2.394800 2.393663 3.688858 4.590909 8.494995 4.092995 1.391939 1.388245 9.336671 0.000000 7.867562 2.648272 2.503599 4.082284 3.632732 2.166757 1.090460 2.650597 3.482904 2.137771 3.482779 2.804101 4.588540 4.009338 4.165707 4.477084 5.805967 5.360266 3.635461 6.134563 5.493012 5.740641 3.443379 6.141513 0.000000 6.800509 3.593748 3.641608 5.491906 4.438462 2.149591 1.091361 2.862936 2.684320 2.176942 2.893734 3.376391 3.926056 2.703665 2.986165 4.151072 4.857984 3.938740 4.799895 4.869970 4.252375 5.151398 4.839628 5.166922 1.753048 0.000000 8.323249 2.063299 2.595510 4.215134 4.431770 2.177172 2.758567 1.087225 2.761548 4.273757 4.961411 3.382428 4.045867 2.736676 5.148832 5.871951 4.996633 4.005754 3.305029 4.987345 6.147702 6.778485 3.811787 6.873219 2.851438 2.621602 0.000000 8.294077 2.062337 3.286304 3.926048 3.548945 2.182872 3.510392 1.089211 2.645118 4.796389 5.309368 2.733058 3.453319 3.198630 5.735022 5.836355 4.485749 4.285794 2.675776 4.838106 6.556124 6.654476 4.121501 6.955739 3.691816 3.795473 1.771123 0.000000 6.512564 4.437296 4.670114 5.515548 3.010013 2.942373 2.163418 4.235657 3.851482 1.092972 2.136782 2.687454 4.314943 4.788633 3.418100 2.594452 5.497862 5.880150 4.986924 6.187210 4.569000 3.987934 5.285210 4.772512 2.423443 3.066873 4.753051 4.988057 0.000000 6.550666 5.001416 4.887232 6.309302 4.573637 3.535640 2.128216 4.691001 4.235994 1.094840 2.141195 3.945504 4.990705 4.692766 2.825590 3.247032 5.971909 5.730247 5.874278 6.301087 4.156345 4.458647 5.711416 4.801096 2.415968 2.437810 4.820593 5.614956 1.752511 0.000000 5.170021 4.917353 6.013169 6.487429 2.798783 2.796183 3.916852 3.893469 2.156188 4.031025 3.523316 2.447919 1.082760 3.394354 4.101082 3.190361 2.140644 3.863873 5.288670 3.391060 4.346524 3.499658 6.798200 4.051992 4.732740 4.433328 4.567412 3.711737 4.079797 5.104097 0.000000 6.718389 4.143058 4.571871 6.329822 5.293665 2.723420 2.972920 2.861369 2.161545 4.090990 4.166345 4.149184 3.394742 1.083290 3.764748 5.189085 3.863397 2.137863 5.359755 3.390556 4.502170 5.764544 5.861219 5.442317 3.673591 2.273352 2.233299 3.278311 4.934776 4.571032 4.301257 0.000000 4.870502 5.972866 6.132760 7.861213 5.711586 3.862504 3.038430 5.016951 3.504243 2.734813 2.153950 4.802329 4.164040 3.272752 1.084314 3.387707 4.551799 3.762586 7.084498 4.378715 2.138393 3.872427 7.287253 3.375008 3.939932 2.503411 4.806232 5.708651 3.782347 2.762056 4.768140 3.299907 0.000000 4.874207 6.025777 6.622780 7.178975 3.319183 3.966796 3.860271 5.483097 4.141358 2.730581 2.150405 3.363496 3.821375 5.229749 3.387663 1.084345 4.694458 5.902555 6.405981 5.675507 3.870380 2.141985 7.244626 3.373621 4.507976 4.594271 6.108400 5.887237 2.337033 3.493128 3.295762 5.800771 4.288891 0.000000 4.083403 6.922726 7.996441 8.702085 5.247263 4.721658 5.702370 5.644606 3.401049 5.768689 4.773266 4.823224 2.146444 3.864302 4.690495 4.400571 1.084025 3.392858 7.436937 2.153146 4.222805 3.902043 8.935543 3.786093 6.682811 5.836048 5.996537 5.307304 6.090392 6.708557 2.452426 4.947280 5.358403 4.897844 0.000000 5.939547 6.388918 6.973696 8.576887 6.904181 4.677848 5.106655 4.981925 3.403836 5.821272 5.279495 5.869524 3.865423 2.144899 4.419386 6.020362 3.392432 1.084138 7.478116 2.154742 4.404731 6.029626 8.239793 5.264250 5.984083 4.433904 4.475992 5.001772 6.700967 6.325985 4.947984 2.449897 4.129499 6.847094 4.294377 0.000000 9.890900 2.131244 3.237947 2.152427 3.150211 3.614634 4.628405 2.834973 4.681688 5.619532 6.469753 3.117225 5.184199 5.602151 7.332065 6.735887 6.419974 6.755861 1.078241 7.119475 8.281656 7.761452 3.156626 8.452366 4.321890 5.338338 3.763757 2.607403 5.305138 6.396640 4.898987 5.661681 7.444046 6.357114 7.013740 7.554365 0.000000 4.565999 7.521537 8.399919 9.586932 6.907475 5.434909 6.174539 6.077836 3.893727 6.505713 5.537166 6.142613 3.401748 3.400450 4.842142 5.703013 2.154004 2.155638 8.345976 1.084040 4.254512 5.227933 9.546164 4.469576 7.187883 5.854368 5.981574 5.831988 7.175331 7.227468 4.284974 4.283757 5.096587 6.493727 2.486130 2.487355 8.128473 0.000000 2.868806 7.896281 8.310550 9.863432 6.974833 5.484624 5.164303 6.716130 4.521687 4.685576 3.414326 6.210297 4.502484 4.209311 2.155451 3.868697 4.166937 3.860093 8.909504 3.833254 1.082556 3.405297 9.471647 2.154050 6.189958 4.755391 6.575866 7.111914 5.530126 4.911694 5.138676 4.673936 2.469746 4.952839 4.619390 4.122369 9.041011 4.074680 0.000000 2.873553 7.947689 8.688473 9.338140 5.207857 5.570073 5.695029 7.084052 5.045500 4.686752 3.415168 5.188342 4.202335 5.875943 3.870894 2.158669 4.337848 5.980278 8.390803 5.281568 3.406925 1.082703 9.447944 2.152259 6.573545 6.129095 7.593232 7.270322 4.664050 5.358598 3.825416 6.692342 4.955085 2.473258 4.090907 6.857568 8.180661 5.741732 4.297981 0.000000 11.814214 3.136347 2.099036 2.153968 5.786463 5.296984 5.058354 4.490553 6.734356 6.051709 7.465993 5.450036 7.808143 7.187311 8.205718 8.253893 9.088333 8.557067 3.140833 9.426093 9.517709 9.565780 1.078854 10.112009 4.046366 5.471637 4.672617 5.162716 5.882601 6.145390 7.793053 6.639602 7.886695 7.975038 9.936900 9.056590 4.169483 10.482588 10.174654 10.251409 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5165524 0.1310072 0.1214328 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= 649 649 649 649 649 MxSgAt= 41 MxSgA2= 41. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2077.3024377380 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0484015262 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2126.3338177526 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0554309948 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2081.5767518200 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0495291483 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2108.8316532859 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0519600476 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2117.6207111907 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0532775050 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2123.2375210566 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0539319652 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2116.8990965084 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0530837814 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2117.3541792713 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0531636832 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2121.8881820435 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0539483068 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2118.2364026802 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0532497998 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2121.3394606756 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0537131220 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2119.9527792099 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0535308315 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2119.5576215612 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0535074279 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2119.5269070469 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0534972623 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2119.5401532957 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0535049355 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 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= 638 RedAO= T EigKep= 1.13D-06 NBF= 638 NBsUse= 635 1.00D-06 EigRej= 9.23D-07 NBFU= 635 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= 649 649 649 649 649 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1413.23562983720 -1413.45726938441 -0.221639547215 -1413.71595757016 -0.258688185746 -1413.48472029137 0.231237278785 -1413.75365601782 -0.268935726443 -1413.77393135147 -0.020275333659 -1413.77421910413 -0.000287752654 -1413.77422693935 -0.000007835219 -1413.77422790442 -0.000000965068 -1413.77422806322 -0.000000158806 -1413.77422806942 -0.000000006200 -1413.77422807053 -0.000000001109 -1413.77422807071 -0.000000000176 -1413.77422807061 0.000000000094 -1413.77422807078 -0.000000000164 -1413.77422807 15 1.409162334313e+03 -7.602457684827e+03 2.632260340237e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830260911 LenY= 2829822005 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. 6.40708303e-01 1.82726664e+00 1.55968677e+00 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 17 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.013028086 0.000432774 -0.007620336 0.006788150 0.003108548 -0.009103519 0.003879824 0.008231417 0.016204111 -0.012983628 -0.008384541 -0.001819980 -0.001543200 -0.006079856 -0.002212213 -0.000454402 -0.002875876 -0.000871908 -0.002496338 0.002939689 0.006294362 0.002810228 0.007822592 -0.003734049 -0.000163010 0.000850157 -0.000555154 -0.001069212 -0.003482835 0.003384610 -0.000699019 -0.001068560 0.003078820 0.000577370 0.002127702 -0.000318465 -0.001777306 -0.004278123 -0.003472474 -0.002452349 0.004186703 0.003536389 -0.000178590 0.003384881 0.004203596 -0.002307871 -0.004582597 -0.000550969 0.002276243 -0.002190487 -0.004141257 0.001134507 0.004437208 0.001397252 0.003470785 -0.002013544 -0.015702181 0.004244657 0.002750127 -0.002569335 0.003144101 0.004008291 0.001978127 0.000347738 -0.004749697 -0.002438918 -0.012153633 -0.003328281 0.012900733 -0.006134405 -0.000186553 0.003716914 -0.001126895 -0.000331104 -0.000910482 0.000654257 0.000206266 -0.000729172 0.000129213 -0.000395873 0.001323469 -0.000153524 -0.000969178 -0.000914291 -0.000221324 -0.000601809 -0.000968639 0.000937650 0.000522361 0.001455255 -0.000520062 -0.000612335 0.000706476 -0.000335605 -0.000457976 0.000143372 -0.000963946 0.000483007 0.000195033 -0.000745624 -0.000336018 -0.000132893 0.000915804 -0.000787585 -0.000982009 0.000452643 0.001377375 0.000443258 0.001106001 0.000143938 0.000170303 0.001340659 0.000623603 -0.000553265 0.000990083 0.000538881 -0.000379788 0.000665365 -0.000482280 -0.000895631 -0.000413421 0.000019588 0.000444848 0.016204111 0.004150776 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1413.77786943594 -1413.77787342404 -0.000003988104 -1413.77787342659 -0.000000002551 -1413.77787347980 -0.000000053209 -1413.77787348209 -0.000000002286 -1413.77787348306 -0.000000000973 -1413.77787348321 -0.000000000149 -1413.77787348339 -0.000000000176 -1413.77787348332 0.000000000062 -1413.77787348 9 1.408485590744e+03 -7.546411774646e+03 2.604653409652e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830260911 LenY= 2829822005 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) PT105909.200S Tue Jul 13 16:18:15 2021 5.68160484e-01 1.63532411e+00 1.57506047e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1413.7778735 5.711E-9 5.817E-6 -22.8229282,9.6993753,13.1235528,-3.9358394,-0.4349215,-1.3130395 C01 [X(C19H17Cl1N4)] 0.7780766 2.1625057 0.4428008 -0.000005335 -0.000001887 0.000004002 0.000000381 0.000010590 0.000001967 0.000016757 -0.000019302 -0.000001175 0.000007877 -0.000019997 0.000013377 0.000000915 -0.000001656 0.000009022 -0.000006274 -0.000002427 -0.000003812 -0.000000892 -0.000004119 0.000004234 0.000000517 0.000000538 -0.000005066 -0.000005293 0.000003595 0.000000449 -0.000004335 0.000009627 -0.000002546 0.000000745 -0.000000971 0.000002466 0.000007207 -0.000002167 0.000002907 0.000002109 -0.000001488 -0.000001582 0.000006987 -0.000002239 -0.000004138 0.000003557 0.000003217 -0.000002451 0.000002061 0.000002343 0.000003689 -0.000000370 -0.000007924 -0.000001032 -0.000003619 -0.000003211 -0.000002454 -0.000000406 0.000000500 0.000002461 -0.000000790 -0.000002227 -0.000008242 -0.000002014 0.000003915 -0.000000263 -0.000001611 -0.000000452 0.000004659 -0.000020510 0.000029312 -0.000010653 0.000005345 0.000000240 -0.000001332 -0.000001449 0.000004908 -0.000001991 0.000002512 0.000002543 0.000001321 -0.000001316 -0.000000346 0.000000848 0.000001241 0.000002291 -0.000000726 0.000000241 0.000001533 0.000004758 0.000001847 0.000003776 0.000003382 -0.000001356 -0.000005873 0.000001579 0.000000283 0.000003882 -0.000007282 -0.000000390 0.000004359 -0.000002797 -0.000000876 0.000000060 0.000004903 -0.000000877 -0.000005676 -0.000001253 -0.000000837 -0.000001805 -0.000007364 -0.000002871 -0.000001990 0.000003325 -0.000000028 -0.000005346 -0.000005506 0.000000050 0.000002215 -0.000003642 -0.000000581 -0.000001012 0.000003772 0.000001396 0.000002670 0.000002188 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-CIBELES04 PAULAPLA Optimization fenbuconazole CONF5 water EM64L-G16RevC.01 117 C1[X(C19H17ClN4)] 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization fenbuconazole CONF5 water 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 35 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/paulapla/almacen/ADAMA/censo_results/fenbuconazole/water/CONF5/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 1 2 2 2 3 4 4 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 13 13 14 14 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 24 3 8 19 23 19 23 12 7 8 9 12 10 25 26 27 28 13 14 11 29 30 15 16 17 31 18 32 21 33 22 34 20 35 20 36 37 38 24 39 24 40 41 1.7702 1.3644 1.4549 1.3455 1.3206 1.3258 1.3629 1.1545 1.5632 1.5696 1.542 1.4672 1.5404 1.0905 1.0914 1.0872 1.0892 1.3961 1.4005 1.5118 1.093 1.0948 1.3998 1.3968 1.395 1.0828 1.3924 1.0833 1.3911 1.0843 1.3949 1.0843 1.3928 1.084 1.3949 1.0841 1.0782 1.084 1.3919 1.0826 1.3882 1.0827 1.0789 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 3 3 8 2 19 7 7 7 8 8 9 6 6 6 10 10 25 2 2 2 6 6 27 6 6 13 7 7 7 11 11 29 10 10 15 9 9 17 9 9 18 11 11 21 11 11 22 13 13 20 14 14 20 2 2 4 17 17 18 15 15 24 16 16 24 3 3 4 1 1 21 2 2 2 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 8 19 19 23 23 8 9 12 9 12 12 10 25 26 25 26 26 6 27 28 27 28 28 13 14 14 11 29 30 29 30 30 15 16 16 17 31 31 18 32 32 21 33 33 22 34 34 20 35 35 20 36 36 4 37 37 18 38 38 24 39 39 24 40 40 4 41 41 21 22 22 122.5865 109.3727 128.0011 102.6189 102.6618 110.5499 112.4914 108.6124 106.8695 107.331 110.8632 116.638 108.1503 106.7959 107.4636 110.4589 106.9273 114.9597 107.6316 107.4413 108.7054 109.0336 108.9323 122.5194 118.757 118.7229 115.5854 109.3018 106.4977 109.1799 109.4171 106.4578 120.7989 120.8088 118.3605 120.6397 120.3478 118.9895 120.6433 120.4375 118.9081 121.283 119.7056 118.9855 121.3635 119.6222 118.9951 120.322 119.4325 120.243 120.2887 119.4985 120.2095 110.4562 122.7389 126.8005 119.3741 120.3231 120.3019 118.7463 120.7277 120.5207 118.6425 120.6906 120.6556 114.8898 121.7197 123.3889 119.0832 119.3378 121.5765 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A72 A73 5 5 12 12 6 6 1 1 -1 -2 182.1599 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 181.4064 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 8 19 3 3 3 19 19 19 3 3 8 8 2 2 23 23 19 19 8 8 8 9 9 9 12 12 12 7 7 7 9 9 9 12 12 12 7 7 8 8 12 12 6 6 6 25 25 25 26 26 26 6 6 14 14 6 6 13 13 7 7 29 29 30 30 10 10 16 16 10 10 15 15 9 9 31 31 9 9 32 32 11 11 33 33 11 11 34 34 13 13 35 35 14 14 36 36 15 15 39 39 16 16 40 40 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 3 3 8 8 8 8 8 8 19 19 19 19 23 23 19 19 23 23 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 11 11 11 11 11 11 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 20 20 20 20 20 20 20 20 24 24 24 24 24 24 24 24 23 23 6 27 28 6 27 28 4 37 4 37 4 41 2 37 3 41 10 25 26 10 25 26 10 25 26 2 27 28 2 27 28 2 27 28 13 14 13 14 13 14 11 29 30 11 29 30 11 29 30 17 31 17 31 18 32 18 32 15 16 15 16 15 16 21 33 21 33 22 34 22 34 20 35 20 35 20 36 20 36 24 39 24 39 24 40 24 40 18 38 18 38 17 38 17 38 1 22 1 22 1 21 1 21 -178.04 -0.1627 88.5563 -32.7163 -149.8908 -88.9022 149.8252 32.6507 0.2376 179.522 177.9678 -2.7478 0.0401 -179.5175 -0.1973 -179.4456 0.0963 179.6455 164.1271 42.9457 -71.8263 -76.4901 162.3285 47.5565 46.6145 -74.5669 170.6611 -64.5355 56.1501 174.7808 172.7405 -66.5739 52.0568 53.762 174.4476 -66.9217 118.4174 -61.2972 -120.0785 60.2069 -3.418 176.8674 56.7426 -66.8744 178.493 178.286 54.6689 -59.9637 -65.4095 170.9735 56.3409 -178.5949 -0.3596 1.1199 179.3551 179.1323 0.3594 -0.5933 -179.3662 60.374 -117.5391 -175.9451 6.1419 -59.799 122.288 -176.3024 1.8265 1.6607 179.7895 176.7038 -1.6874 -1.2591 -179.6502 -0.8344 178.6019 -179.0933 0.3429 -0.2246 -179.5621 178.5668 -0.7706 -0.5864 178.5784 -178.7284 0.4363 -0.2032 -178.9897 178.1978 -0.5887 0.0014 179.6593 -179.4303 0.2276 0.5232 -179.1348 179.8559 0.198 178.4661 -0.9465 -0.7005 179.887 -178.0775 1.3336 0.7094 -179.8795 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00332 0.00365 0.00497 0.00675 0.00823 0.01027 0.01180 0.01563 0.01700 0.01711 0.01723 0.01768 0.01849 0.02096 0.02219 0.02260 0.02364 0.02435 0.02467 0.02540 0.02596 0.02736 0.02849 0.02881 0.02909 0.03047 0.03726 0.03795 0.04144 0.04261 0.04513 0.04719 0.05140 0.05796 0.06076 0.06701 0.06914 0.07247 0.07536 0.08194 0.08487 0.08620 0.08856 0.10812 0.11130 0.11134 0.11393 0.11578 0.11719 0.11841 0.11952 0.12146 0.12304 0.12538 0.12751 0.13178 0.13839 0.14978 0.17609 0.17921 0.18137 0.18847 0.18883 0.19176 0.19346 0.19353 0.20327 0.20746 0.22293 0.22501 0.23855 0.24787 0.25325 0.25521 0.26058 0.26755 0.28057 0.28673 0.29202 0.30823 0.31598 0.32194 0.32861 0.33555 0.33788 0.34091 0.34559 0.34629 0.35235 0.35523 0.35590 0.35661 0.35764 0.35824 0.36021 0.36157 0.36190 0.36443 0.37110 0.37499 0.37912 0.39838 0.40988 0.41175 0.41737 0.41844 0.42214 0.46098 0.46221 0.46376 0.46580 0.48964 0.50231 0.50276 0.55031 0.69951 1.20911 Angle between quadratic step and forces= 67.00 degrees. 1 2 0.00019407 0.00000002 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 3.34526 2.57837 2.74945 2.54264 2.49552 2.50536 2.57542 2.18178 2.95408 2.96602 2.91389 2.77266 2.91091 2.06067 2.06237 2.05456 2.05831 2.63833 2.64665 2.85689 2.06542 2.06895 2.64525 2.63962 2.63611 2.04612 2.63118 2.04712 2.62876 2.04906 2.63607 2.04911 2.63207 2.04851 2.63597 2.04872 2.03758 2.04854 2.63038 2.04573 2.62340 2.04601 2.03874 2.13954 1.90891 2.23404 1.79104 1.79179 1.92946 1.96335 1.89564 1.86522 1.87328 1.93493 2.03572 1.88758 1.86394 1.87559 1.92787 1.86623 2.00643 1.87853 1.87520 1.89727 1.90300 1.90123 2.13837 2.07270 2.07211 2.01735 1.90768 1.85874 1.90555 1.90969 1.85804 2.10834 2.10851 2.06578 2.10556 2.10046 2.07676 2.10562 2.10203 2.07534 2.11679 2.08926 2.07669 2.11819 2.08780 2.07686 2.10002 2.08449 2.09864 2.09943 2.08564 2.09805 1.92783 2.14220 2.21309 2.08347 2.10003 2.09966 2.07251 2.10710 2.10348 2.07070 2.10645 2.10584 2.00521 2.12441 2.15354 2.07839 2.08284 2.12191 3.17929 3.16614 -3.10738 -0.00284 1.54560 -0.57101 -2.61609 -1.55164 2.61494 0.56986 0.00415 3.13325 3.10612 -0.04796 0.00070 -3.13317 -0.00344 -3.13192 0.00168 3.13541 2.86456 0.74954 -1.25360 -1.33500 2.83317 0.83002 0.81358 -1.30144 2.97860 -1.12636 0.98000 3.05050 3.01489 -1.16193 0.90856 0.93832 3.04469 -1.16800 2.06677 -1.06984 -2.09576 1.05081 -0.05966 3.08692 0.99035 -1.16718 3.11529 3.11168 0.95415 -1.04656 -1.14161 2.98405 0.98333 -3.11707 -0.00628 0.01955 3.13034 3.12645 0.00627 -0.01036 -3.13053 1.05372 -2.05144 -3.07082 0.10720 -1.04369 2.13433 -3.07706 0.03188 0.02898 3.13792 3.08406 -0.02945 -0.02198 -3.13549 -0.01456 3.11719 -3.12577 0.00599 -0.00392 -3.13395 3.11658 -0.01345 -0.01023 3.11678 -3.11940 0.00762 -0.00355 -3.12396 3.11014 -0.01027 0.00002 3.13565 -3.13165 0.00397 0.00913 -3.12649 3.13908 0.00346 3.11482 -0.01652 -0.01223 3.13962 -3.10804 0.02327 0.01238 -3.13949 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 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 0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 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 -0.00002 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 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00003 -0.00002 0.00000 -0.00001 -0.00003 0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00005 -0.00001 0.00006 0.00001 -0.00000 -0.00005 0.00003 -0.00008 0.00003 0.00010 -0.00003 -0.00001 -0.00003 0.00001 0.00003 -0.00001 0.00001 -0.00003 -0.00006 0.00007 -0.00003 0.00005 -0.00000 -0.00004 0.00005 -0.00001 -0.00001 0.00002 0.00002 -0.00000 -0.00001 -0.00002 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00002 -0.00002 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00004 0.00013 -0.00007 -0.00014 0.00034 0.00044 0.00044 0.00043 0.00052 0.00053 0.00002 0.00001 -0.00005 -0.00007 0.00022 -0.00002 0.00010 0.00012 -0.00021 0.00003 -0.00002 -0.00003 -0.00003 0.00001 -0.00000 -0.00001 -0.00006 -0.00007 -0.00008 0.00003 -0.00009 -0.00008 0.00000 -0.00012 -0.00011 -0.00003 -0.00015 -0.00014 -0.00014 -0.00008 -0.00015 -0.00010 -0.00004 0.00002 0.00002 0.00001 0.00001 -0.00001 -0.00002 -0.00002 0.00002 0.00001 0.00001 0.00004 0.00003 -0.00002 -0.00003 -0.00003 -0.00008 0.00002 -0.00002 -0.00023 -0.00019 -0.00021 -0.00017 -0.00024 -0.00020 0.00001 -0.00003 -0.00003 -0.00006 0.00000 0.00002 0.00004 0.00005 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00004 0.00004 -0.00001 -0.00002 0.00002 0.00001 -0.00001 0.00001 -0.00002 0.00000 0.00002 -0.00001 0.00002 -0.00002 -0.00002 0.00002 -0.00001 0.00002 0.00003 0.00005 0.00005 0.00006 -0.00003 -0.00004 -0.00005 -0.00006 -0.00003 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00003 -0.00002 0.00000 -0.00001 -0.00003 0.00000 0.00001 0.00000 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00005 -0.00001 0.00006 0.00001 -0.00000 -0.00005 0.00003 -0.00008 0.00003 0.00010 -0.00003 -0.00001 -0.00003 0.00001 0.00003 -0.00001 0.00001 -0.00003 -0.00006 0.00007 -0.00003 0.00005 -0.00000 -0.00004 0.00005 -0.00001 -0.00001 0.00002 0.00002 -0.00000 -0.00001 -0.00002 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00002 -0.00002 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00004 0.00013 -0.00007 -0.00014 0.00034 0.00044 0.00044 0.00043 0.00052 0.00053 0.00002 0.00001 -0.00005 -0.00007 0.00022 -0.00002 0.00010 0.00012 -0.00021 0.00003 -0.00002 -0.00003 -0.00003 0.00001 -0.00000 -0.00001 -0.00006 -0.00007 -0.00008 0.00003 -0.00009 -0.00008 0.00000 -0.00012 -0.00011 -0.00003 -0.00015 -0.00014 -0.00014 -0.00008 -0.00015 -0.00010 -0.00004 0.00002 0.00002 0.00001 0.00001 -0.00001 -0.00002 -0.00002 0.00002 0.00001 0.00001 0.00004 0.00003 -0.00002 -0.00003 -0.00003 -0.00008 0.00002 -0.00002 -0.00023 -0.00019 -0.00021 -0.00017 -0.00024 -0.00020 0.00001 -0.00003 -0.00003 -0.00006 0.00000 0.00002 0.00004 0.00005 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00004 0.00004 -0.00001 -0.00002 0.00002 0.00001 -0.00001 0.00001 -0.00002 0.00000 0.00002 -0.00001 0.00002 -0.00002 -0.00002 0.00002 -0.00001 0.00002 0.00003 0.00005 0.00005 0.00006 -0.00003 -0.00004 -0.00005 -0.00006 3.34522 2.57835 2.74946 2.54265 2.49552 2.50537 2.57541 2.18178 2.95411 2.96600 2.91389 2.77265 2.91088 2.06067 2.06238 2.05456 2.05831 2.63834 2.64665 2.85689 2.06542 2.06895 2.64526 2.63961 2.63611 2.04612 2.63118 2.04712 2.62876 2.04905 2.63606 2.04912 2.63207 2.04851 2.63597 2.04872 2.03757 2.04854 2.63039 2.04573 2.62340 2.04601 2.03874 2.13949 1.90890 2.23410 1.79105 1.79178 1.92941 1.96338 1.89556 1.86525 1.87338 1.93490 2.03570 1.88755 1.86395 1.87563 1.92786 1.86625 2.00640 1.87846 1.87527 1.89724 1.90305 1.90122 2.13833 2.07275 2.07209 2.01733 1.90770 1.85876 1.90555 1.90968 1.85802 2.10833 2.10852 2.06578 2.10557 2.10046 2.07675 2.10562 2.10204 2.07532 2.11679 2.08925 2.07669 2.11819 2.08780 2.07686 2.10001 2.08450 2.09864 2.09944 2.08563 2.09805 1.92783 2.14221 2.21307 2.08347 2.10003 2.09967 2.07251 2.10710 2.10348 2.07071 2.10645 2.10583 2.00520 2.12441 2.15355 2.07839 2.08284 2.12191 3.17925 3.16627 -3.10746 -0.00298 1.54594 -0.57056 -2.61564 -1.55121 2.61547 0.57039 0.00417 3.13326 3.10607 -0.04803 0.00092 -3.13319 -0.00334 -3.13180 0.00147 3.13544 2.86454 0.74951 -1.25364 -1.33500 2.83316 0.83001 0.81351 -1.30151 2.97852 -1.12632 0.97992 3.05042 3.01489 -1.16205 0.90846 0.93829 3.04453 -1.16815 2.06664 -1.06992 -2.09592 1.05071 -0.05969 3.08694 0.99036 -1.16717 3.11530 3.11167 0.95413 -1.04658 -1.14159 2.98406 0.98334 -3.11703 -0.00625 0.01953 3.13031 3.12642 0.00619 -0.01033 -3.13056 1.05349 -2.05163 -3.07103 0.10703 -1.04393 2.13412 -3.07705 0.03185 0.02895 3.13785 3.08407 -0.02943 -0.02193 -3.13543 -0.01457 3.11719 -3.12576 0.00600 -0.00393 -3.13396 3.11662 -0.01341 -0.01025 3.11676 -3.11938 0.00763 -0.00355 -3.12394 3.11012 -0.01027 0.00005 3.13563 -3.13163 0.00395 0.00912 -3.12647 3.13907 0.00348 3.11486 -0.01647 -0.01218 3.13968 -3.10806 0.02324 0.01233 -3.13955 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000015 0.000003 0.001030 0.000194 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.381010e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 1 2 2 2 3 4 4 5 6 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 13 13 14 14 15 15 16 16 17 17 18 18 19 20 21 21 22 22 23 24 3 8 19 23 19 23 12 7 8 9 12 10 25 26 27 28 13 14 11 29 30 15 16 17 31 18 32 21 33 22 34 20 35 20 36 37 38 24 39 24 40 41 1.7702 1.3644 1.4549 1.3455 1.3206 1.3258 1.3629 1.1545 1.5632 1.5696 1.542 1.4672 1.5404 1.0905 1.0914 1.0872 1.0892 1.3961 1.4005 1.5118 1.093 1.0948 1.3998 1.3968 1.395 1.0828 1.3924 1.0833 1.3911 1.0843 1.3949 1.0843 1.3928 1.084 1.3949 1.0841 1.0782 1.084 1.3919 1.0826 1.3882 1.0827 1.0789 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 3 3 8 2 19 7 7 7 8 8 9 6 6 6 10 10 25 2 2 2 6 6 27 6 6 13 7 7 7 11 11 29 10 10 15 9 9 17 9 9 18 11 11 21 11 11 22 13 13 20 14 14 20 2 2 4 17 17 18 15 15 24 16 16 24 3 3 4 1 1 21 2 2 2 3 4 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 10 10 10 10 10 10 11 11 11 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 8 19 19 23 23 8 9 12 9 12 12 10 25 26 25 26 26 6 27 28 27 28 28 13 14 14 11 29 30 29 30 30 15 16 16 17 31 31 18 32 32 21 33 33 22 34 34 20 35 35 20 36 36 4 37 37 18 38 38 24 39 39 24 40 40 4 41 41 21 22 22 122.5865 109.3727 128.0011 102.6189 102.6618 110.5499 112.4914 108.6124 106.8695 107.331 110.8632 116.638 108.1503 106.7959 107.4636 110.4589 106.9273 114.9597 107.6316 107.4413 108.7054 109.0336 108.9323 122.5194 118.757 118.7229 115.5854 109.3018 106.4977 109.1799 109.4171 106.4578 120.7989 120.8088 118.3605 120.6397 120.3478 118.9895 120.6433 120.4375 118.9081 121.283 119.7056 118.9855 121.3635 119.6222 118.9951 120.322 119.4325 120.243 120.2887 119.4985 120.2095 110.4562 122.7389 126.8005 119.3741 120.3231 120.3019 118.7463 120.7277 120.5207 118.6425 120.6906 120.6556 114.8898 121.7197 123.3889 119.0832 119.3378 121.5765 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A72 5 12 6 1 -1 182.1599 -DE/DX|=|0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 8 19 3 3 3 19 19 19 3 3 8 8 2 2 23 23 19 19 8 8 8 9 9 9 12 12 12 7 7 7 9 9 9 12 12 12 7 7 8 8 12 12 6 6 6 25 25 25 26 26 26 6 6 14 14 6 6 13 13 7 7 29 29 30 30 10 10 16 16 10 10 15 15 9 9 31 31 9 9 32 32 11 11 33 33 11 11 34 34 13 13 35 35 14 14 36 36 15 15 39 39 16 16 40 2 2 2 2 2 2 2 2 2 2 2 2 3 3 4 4 4 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 9 9 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 11 11 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 3 3 8 8 8 8 8 8 19 19 19 19 23 23 19 19 23 23 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 13 13 13 13 14 14 14 14 11 11 11 11 11 11 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 20 20 20 20 20 20 20 20 24 24 24 24 24 24 24 23 23 6 27 28 6 27 28 4 37 4 37 4 41 2 37 3 41 10 25 26 10 25 26 10 25 26 2 27 28 2 27 28 2 27 28 13 14 13 14 13 14 11 29 30 11 29 30 11 29 30 17 31 17 31 18 32 18 32 15 16 15 16 15 16 21 33 21 33 22 34 22 34 20 35 20 35 20 36 20 36 24 39 24 39 24 40 24 40 18 38 18 38 17 38 17 38 1 22 1 22 1 21 1 -178.04 -0.1627 88.5563 -32.7163 -149.8908 -88.9022 149.8252 32.6507 0.2376 179.522 177.9678 -2.7478 0.0401 -179.5175 -0.1973 -179.4456 0.0963 179.6455 164.1271 42.9457 -71.8263 -76.4901 162.3285 47.5565 46.6145 -74.5669 170.6611 -64.5355 56.1501 174.7808 172.7405 -66.5739 52.0568 53.762 174.4476 -66.9217 118.4174 -61.2972 -120.0785 60.2069 -3.418 176.8674 56.7426 -66.8744 178.493 178.286 54.6689 -59.9637 -65.4095 170.9735 56.3409 -178.5949 -0.3596 1.1199 179.3551 179.1323 0.3594 -0.5933 -179.3662 60.374 -117.5391 -175.9451 6.1419 -59.799 122.288 -176.3024 1.8265 1.6607 179.7895 176.7038 -1.6874 -1.2591 -179.6502 -0.8344 178.6019 -179.0933 0.3429 -0.2246 -179.5621 178.5668 -0.7706 -0.5864 178.5784 -178.7284 0.4363 -0.2032 -178.9897 178.1978 -0.5887 0.0014 179.6593 -179.4303 0.2276 0.5232 -179.1348 179.8559 0.198 178.4661 -0.9465 -0.7005 179.887 -178.0775 1.3336 0.7094 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2119.5401532957 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0535049355 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 9.307769 0.000000 9.995311 1.364412 0.000000 11.085953 2.194305 2.261905 0.000000 7.326310 3.558847 4.529673 4.354229 0.000000 6.757328 2.551009 3.376168 4.474307 2.621133 0.000000 6.822997 3.112455 3.316350 4.841386 3.443487 1.563234 0.000000 8.143416 1.454947 2.473213 3.608189 3.420754 1.569551 2.574824 0.000000 5.711992 3.834191 4.718116 5.859422 3.503377 1.541962 2.581775 2.499156 0.000000 6.066961 4.426119 4.601130 5.848413 3.590534 2.641162 1.540385 3.976883 3.331043 0.000000 4.557325 5.469461 5.857202 7.066595 4.064349 3.177748 2.582575 4.694514 3.162965 1.511799 0.000000 6.937175 2.895661 3.872600 4.236953 1.154547 1.467228 2.461818 2.447094 2.478279 2.934144 3.453828 0.000000 4.958947 4.844971 5.875438 6.676141 3.506911 2.577111 3.666800 3.600801 1.396146 3.988323 3.412323 2.822725 0.000000 5.906396 4.421631 5.097850 6.591196 4.857390 2.533205 3.131699 3.011048 1.400549 4.022349 3.795968 3.774549 2.406276 0.000000 4.023417 6.124149 6.456674 7.946035 5.216967 3.777227 3.177775 5.146278 3.319744 2.532217 1.399808 4.440302 3.644113 3.434830 0.000000 4.025888 6.153954 6.722913 7.576582 3.889140 3.838244 3.643774 5.406991 3.708999 2.529783 1.396827 3.625497 3.428679 4.596130 2.401703 0.000000 4.339905 6.081772 7.094604 7.982240 4.846989 3.856332 4.817152 4.740596 2.424930 5.056842 4.185352 4.217089 1.394970 2.780385 4.025267 4.117116 0.000000 5.406694 5.745338 6.461500 7.906242 5.896624 3.825559 4.424920 4.304712 2.426535 5.087882 4.510152 4.903833 2.781330 1.392361 3.845883 5.136367 2.406594 0.000000 10.032791 1.345510 2.211323 1.325781 3.446827 3.430469 4.142107 2.517503 4.699607 5.235603 6.272769 3.206535 5.451331 5.490247 7.100949 6.731230 6.728826 6.754890 0.000000 4.599370 6.468654 7.351757 8.532067 5.899220 4.351045 5.132627 5.032520 2.809738 5.534547 4.681683 5.088367 2.418216 2.417337 4.123063 4.930558 1.392833 1.394894 7.302590 0.000000 2.732522 7.245801 7.705135 9.117207 6.022980 4.773589 4.460934 6.137907 3.948066 3.816937 2.432457 5.334709 3.861999 3.960201 1.391082 2.786178 3.779438 3.890450 8.176431 3.797287 0.000000 2.732967 7.278853 7.938540 8.800908 4.912681 4.830282 4.813224 6.368306 4.292095 3.819211 2.434184 4.679069 3.666210 5.017726 2.788206 1.394946 3.885987 5.187900 7.861912 4.676301 2.426607 0.000000 11.003508 2.095900 1.320572 1.362853 4.867356 4.369183 4.357958 3.501118 5.792965 5.447765 6.781052 4.496060 6.823406 6.318704 7.535730 7.513294 8.105355 7.681086 2.099326 8.487065 8.796891 8.784100 0.000000 1.770233 7.739607 8.347847 9.479474 5.869866 5.203992 5.120152 6.665071 4.370149 4.298040 2.787514 5.411785 3.850442 4.712545 2.394800 2.393663 3.688858 4.590909 8.494995 4.092995 1.391939 1.388245 9.336671 0.000000 7.867562 2.648272 2.503599 4.082284 3.632732 2.166757 1.090460 2.650597 3.482904 2.137771 3.482779 2.804101 4.588540 4.009338 4.165707 4.477084 5.805967 5.360266 3.635461 6.134563 5.493012 5.740641 3.443379 6.141513 0.000000 6.800509 3.593748 3.641608 5.491906 4.438462 2.149591 1.091361 2.862936 2.684320 2.176942 2.893734 3.376391 3.926056 2.703665 2.986165 4.151072 4.857984 3.938740 4.799895 4.869970 4.252375 5.151398 4.839628 5.166922 1.753048 0.000000 8.323249 2.063299 2.595510 4.215134 4.431770 2.177172 2.758567 1.087225 2.761548 4.273757 4.961411 3.382428 4.045867 2.736676 5.148832 5.871951 4.996633 4.005754 3.305029 4.987345 6.147702 6.778485 3.811787 6.873219 2.851438 2.621602 0.000000 8.294077 2.062337 3.286304 3.926048 3.548945 2.182872 3.510392 1.089211 2.645118 4.796389 5.309368 2.733058 3.453319 3.198630 5.735022 5.836355 4.485749 4.285794 2.675776 4.838106 6.556124 6.654476 4.121501 6.955739 3.691816 3.795473 1.771123 0.000000 6.512564 4.437296 4.670114 5.515548 3.010013 2.942373 2.163418 4.235657 3.851482 1.092972 2.136782 2.687454 4.314943 4.788633 3.418100 2.594452 5.497862 5.880150 4.986924 6.187210 4.569000 3.987934 5.285210 4.772512 2.423443 3.066873 4.753051 4.988057 0.000000 6.550666 5.001416 4.887232 6.309302 4.573637 3.535640 2.128216 4.691001 4.235994 1.094840 2.141195 3.945504 4.990705 4.692766 2.825590 3.247032 5.971909 5.730247 5.874278 6.301087 4.156345 4.458647 5.711416 4.801096 2.415968 2.437810 4.820593 5.614956 1.752511 0.000000 5.170021 4.917353 6.013169 6.487429 2.798783 2.796183 3.916852 3.893469 2.156188 4.031025 3.523316 2.447919 1.082760 3.394354 4.101082 3.190361 2.140644 3.863873 5.288670 3.391060 4.346524 3.499658 6.798200 4.051992 4.732740 4.433328 4.567412 3.711737 4.079797 5.104097 0.000000 6.718389 4.143058 4.571871 6.329822 5.293665 2.723420 2.972920 2.861369 2.161545 4.090990 4.166345 4.149184 3.394742 1.083290 3.764748 5.189085 3.863397 2.137863 5.359755 3.390556 4.502170 5.764544 5.861219 5.442317 3.673591 2.273352 2.233299 3.278311 4.934776 4.571032 4.301257 0.000000 4.870502 5.972866 6.132760 7.861213 5.711586 3.862504 3.038430 5.016951 3.504243 2.734813 2.153950 4.802329 4.164040 3.272752 1.084314 3.387707 4.551799 3.762586 7.084498 4.378715 2.138393 3.872427 7.287253 3.375008 3.939932 2.503411 4.806232 5.708651 3.782347 2.762056 4.768140 3.299907 0.000000 4.874207 6.025777 6.622780 7.178975 3.319183 3.966796 3.860271 5.483097 4.141358 2.730581 2.150405 3.363496 3.821375 5.229749 3.387663 1.084345 4.694458 5.902555 6.405981 5.675507 3.870380 2.141985 7.244626 3.373621 4.507976 4.594271 6.108400 5.887237 2.337033 3.493128 3.295762 5.800771 4.288891 0.000000 4.083403 6.922726 7.996441 8.702085 5.247263 4.721658 5.702370 5.644606 3.401049 5.768689 4.773266 4.823224 2.146444 3.864302 4.690495 4.400571 1.084025 3.392858 7.436937 2.153146 4.222805 3.902043 8.935543 3.786093 6.682811 5.836048 5.996537 5.307304 6.090392 6.708557 2.452426 4.947280 5.358403 4.897844 0.000000 5.939547 6.388918 6.973696 8.576887 6.904181 4.677848 5.106655 4.981925 3.403836 5.821272 5.279495 5.869524 3.865423 2.144899 4.419386 6.020362 3.392432 1.084138 7.478116 2.154742 4.404731 6.029626 8.239793 5.264250 5.984083 4.433904 4.475992 5.001772 6.700967 6.325985 4.947984 2.449897 4.129499 6.847094 4.294377 0.000000 9.890900 2.131244 3.237947 2.152427 3.150211 3.614634 4.628405 2.834973 4.681688 5.619532 6.469753 3.117225 5.184199 5.602151 7.332065 6.735887 6.419974 6.755861 1.078241 7.119475 8.281656 7.761452 3.156626 8.452366 4.321890 5.338338 3.763757 2.607403 5.305138 6.396640 4.898987 5.661681 7.444046 6.357114 7.013740 7.554365 0.000000 4.565999 7.521537 8.399919 9.586932 6.907475 5.434909 6.174539 6.077836 3.893727 6.505713 5.537166 6.142613 3.401748 3.400450 4.842142 5.703013 2.154004 2.155638 8.345976 1.084040 4.254512 5.227933 9.546164 4.469576 7.187883 5.854368 5.981574 5.831988 7.175331 7.227468 4.284974 4.283757 5.096587 6.493727 2.486130 2.487355 8.128473 0.000000 2.868806 7.896281 8.310550 9.863432 6.974833 5.484624 5.164303 6.716130 4.521687 4.685576 3.414326 6.210297 4.502484 4.209311 2.155451 3.868697 4.166937 3.860093 8.909504 3.833254 1.082556 3.405297 9.471647 2.154050 6.189958 4.755391 6.575866 7.111914 5.530126 4.911694 5.138676 4.673936 2.469746 4.952839 4.619390 4.122369 9.041011 4.074680 0.000000 2.873553 7.947689 8.688473 9.338140 5.207857 5.570073 5.695029 7.084052 5.045500 4.686752 3.415168 5.188342 4.202335 5.875943 3.870894 2.158669 4.337848 5.980278 8.390803 5.281568 3.406925 1.082703 9.447944 2.152259 6.573545 6.129095 7.593232 7.270322 4.664050 5.358598 3.825416 6.692342 4.955085 2.473258 4.090907 6.857568 8.180661 5.741732 4.297981 0.000000 11.814214 3.136347 2.099036 2.153968 5.786463 5.296984 5.058354 4.490553 6.734356 6.051709 7.465993 5.450036 7.808143 7.187311 8.205718 8.253893 9.088333 8.557067 3.140833 9.426093 9.517709 9.565780 1.078854 10.112009 4.046366 5.471637 4.672617 5.162716 5.882601 6.145390 7.793053 6.639602 7.886695 7.975038 9.936900 9.056590 4.169483 10.482588 10.174654 10.251409 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5165524 0.1310072 0.1214328 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= 638 RedAO= T EigKep= 1.13D-06 NBF= 638 NBsUse= 635 1.00D-06 EigRej= 9.23D-07 NBFU= 635 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= 649 649 649 649 649 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1413.77787348336 -1413.77787348 1 1.408485591751e+03 -7.546411775818e+03 2.604653409816e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830260911 LenY= 2829822005 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 41. Will process 42 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) 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. 12667 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 2831155200 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= 830000000 NMat= 123 IRICut= 307 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 126 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 123 vectors produced by pass 0 Test12= 4.81D-14 1.00D-09 XBig12= 2.91D+02 4.82D+00. AX will form 123 AO Fock derivatives at one time. 123 vectors produced by pass 1 Test12= 4.81D-14 1.00D-09 XBig12= 4.73D+01 9.64D-01. 123 vectors produced by pass 2 Test12= 4.81D-14 1.00D-09 XBig12= 4.33D-01 4.46D-02. 123 vectors produced by pass 3 Test12= 4.81D-14 1.00D-09 XBig12= 1.73D-03 2.36D-03. 123 vectors produced by pass 4 Test12= 4.81D-14 1.00D-09 XBig12= 5.30D-06 1.76D-04. 118 vectors produced by pass 5 Test12= 4.81D-14 1.00D-09 XBig12= 1.05D-08 8.45D-06. 44 vectors produced by pass 6 Test12= 4.81D-14 1.00D-09 XBig12= 1.68D-11 2.60D-07. 3 vectors produced by pass 7 Test12= 4.81D-14 1.00D-09 XBig12= 2.16D-14 9.25D-09. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 780 with 126 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 359.63 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 410.020 69.321 306.847 -26.540 40.234 362.018 422.668 75.992 326.742 -28.860 53.330 406.846 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT75441.900S Tue Jul 13 17:36:55 2021 5.68160550e-01 1.63532421e+00 1.57506084e+00 4.10020232e+02 6.93209978e+01 3.06846929e+02 -2.65399445e+01 4.02338545e+01 3.62018320e+02 -7.7852 -0.0013 -0.0011 0.0009 8.0519 15.3196 23.3764 36.0888 40.2450 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 22.9551 35.7091 39.6931 59.8793 64.0661 79.5658 81.4635 96.1494 124.4529 132.7104 142.0868 168.3497 209.7045 243.3868 270.8938 278.7203 297.5508 337.9293 370.1241 376.0486 387.4352 409.5903 415.9546 420.0815 458.1979 474.4481 525.4074 539.0104 606.2878 632.6748 639.7193 645.3920 646.0510 664.7208 685.7105 695.7125 711.7549 723.3776 741.1512 776.5644 788.4480 819.2088 834.6691 857.3500 873.9987 878.2737 890.9378 910.3387 911.7664 938.3866 957.6782 975.1609 986.6841 996.7848 998.1741 1012.2231 1015.9830 1021.9900 1026.1175 1031.0157 1053.5563 1075.6111 1089.3583 1092.3107 1120.7352 1126.7098 1138.6962 1181.8436 1182.6531 1202.8389 1207.1934 1223.0452 1225.2062 1233.6969 1249.8541 1287.2147 1292.8222 1318.2506 1322.4345 1331.0883 1343.2939 1370.7301 1376.6604 1392.4318 1395.6063 1399.5596 1434.2311 1465.2713 1474.9532 1478.4895 1483.1880 1486.9405 1516.1235 1527.9145 1537.7242 1612.9267 1620.8790 1628.5621 1638.5377 2307.6380 3033.8691 3068.0624 3078.9290 3105.9019 3117.2535 3167.8254 3169.3937 3174.3509 3174.8694 3177.1413 3186.3029 3193.0938 3198.2830 3199.8766 3201.1147 3261.3828 3273.2033 7.6935 9.1746 6.4848 4.3910 5.8473 5.2540 3.9442 5.1151 8.6062 7.2656 6.6315 7.8301 4.7830 4.1815 4.8275 6.1727 3.1114 5.5397 4.4530 4.4082 2.4235 2.9908 2.8846 2.9134 5.7309 4.1438 3.3456 2.8647 5.4326 6.2932 4.8074 5.8735 5.0451 4.0280 3.4616 4.6599 1.7079 3.2483 3.8459 2.2855 4.0211 1.5535 1.2570 1.2549 2.6342 2.2077 1.4413 7.2167 1.4091 1.4389 1.6241 1.7395 1.3634 1.6875 2.1063 1.3425 5.9212 4.0016 4.2513 4.3471 2.5344 3.1976 2.6507 2.7112 1.7551 1.8887 1.4483 1.9592 1.1094 1.1454 1.9813 1.2377 2.6713 1.7878 1.9547 2.3430 1.4401 3.0217 5.0425 1.6215 2.7247 1.3398 1.4518 1.3886 1.7638 1.3630 2.3880 1.5217 2.2036 1.0877 1.8533 1.1175 2.3168 2.0537 3.4545 6.5415 5.3985 5.7557 5.3477 12.6744 1.0635 1.0699 1.0900 1.0598 1.1046 1.1016 1.0928 1.0897 1.0898 1.0892 1.0922 1.0943 1.0971 1.0943 1.0950 1.0954 1.0988 0.0024 0.0069 0.0060 0.0093 0.0141 0.0196 0.0154 0.0279 0.0785 0.0754 0.0789 0.1307 0.1239 0.1459 0.2087 0.2825 0.1623 0.3727 0.3594 0.3673 0.2143 0.2956 0.2941 0.3029 0.7089 0.5496 0.5442 0.4904 1.1766 1.4842 1.1591 1.4414 1.2407 1.0486 0.9590 1.3289 0.5098 1.0015 1.2447 0.8121 1.4728 0.6142 0.5159 0.5435 1.1856 1.0033 0.6741 3.5237 0.6902 0.7465 0.8776 0.9746 0.7820 0.9879 1.2364 0.8104 3.6011 2.4625 2.6373 2.7226 1.6575 2.1797 1.8533 1.9059 1.2988 1.4127 1.1064 1.6123 0.9142 0.9764 1.7012 1.0908 2.3626 1.6032 1.7991 2.2873 1.4182 3.0939 5.1957 1.6927 2.8967 1.4831 1.6211 1.5862 2.0241 1.5730 2.8941 1.9250 2.8245 1.4009 2.4021 1.4558 3.1377 2.8247 4.8128 10.0266 8.3565 8.9940 8.4592 39.7660 5.7673 5.9338 6.0877 6.0235 6.3240 6.5133 6.4679 6.4693 6.4724 6.4776 6.5335 6.5736 6.6120 6.6016 6.6113 6.8649 6.9359 1.7577 0.9904 1.2793 0.3461 0.2621 0.3661 0.5644 5.3549 5.2981 3.0767 2.8771 7.2297 1.6107 2.9890 0.4639 0.6258 0.3110 8.1371 2.2746 12.3082 2.8367 1.5874 0.0045 0.2312 6.2525 9.7864 49.2157 16.0343 18.7101 5.0997 3.9130 12.9697 4.5440 29.1792 49.8349 4.1263 88.5887 3.2525 27.3127 22.5325 9.3895 91.0956 0.7077 1.5421 35.1053 7.8741 26.3128 10.9506 9.7794 3.4730 1.5878 5.3475 0.2334 6.5991 9.7481 0.5545 3.4408 19.3509 38.5675 33.6776 14.2720 5.4275 15.4914 48.4257 26.9069 83.5383 12.4259 1.1371 0.2191 0.2508 2.7787 0.8139 2.0272 75.2520 6.5654 41.9016 12.4099 2.2155 1.0452 9.7409 14.1860 1.6764 6.5394 5.8368 22.9476 5.2386 5.4480 31.3029 17.6186 16.2942 13.4415 9.2069 113.2642 32.5851 112.3470 3.2104 0.7403 3.5143 10.4920 55.6266 39.5596 9.9058 34.3982 9.3982 23.2897 1.0825 0.2180 9.0735 11.0933 7.1538 23.1540 20.7194 6.2094 5.1336 0.4276 1.4808 6.6730 0.08 0.06 0.22 -0.02 0.01 0.05 0.03 0.08 0.11 -0.09 0.02 0.20 -0.09 0.06 -0.15 -0.03 -0.02 -0.10 -0.02 -0.07 -0.14 -0.01 -0.00 -0.04 -0.02 -0.04 -0.09 0.00 -0.05 -0.19 0.02 -0.01 -0.10 -0.06 0.03 -0.13 -0.02 -0.03 -0.10 0.01 -0.06 -0.08 -0.04 -0.05 -0.01 0.09 0.05 -0.09 -0.01 -0.05 -0.09 0.03 -0.08 -0.07 -0.09 -0.02 0.11 0.02 -0.08 -0.08 -0.02 -0.03 0.08 0.10 0.08 0.01 -0.01 0.08 0.20 0.05 0.03 0.09 -0.01 -0.10 -0.17 -0.03 -0.10 -0.11 0.05 0.01 -0.05 -0.05 -0.02 -0.05 0.04 -0.00 -0.25 -0.03 -0.11 -0.23 -0.04 -0.01 -0.11 0.02 -0.07 -0.07 -0.09 -0.11 -0.02 0.13 0.09 -0.15 -0.02 -0.05 -0.10 0.05 -0.10 -0.06 -0.14 -0.08 0.08 0.03 -0.09 -0.07 -0.06 -0.06 0.15 0.16 0.13 0.02 0.01 0.13 0.27 -0.13 0.28 -0.04 0.04 0.04 0.01 0.01 -0.04 -0.05 -0.03 0.24 -0.09 -0.07 -0.10 0.06 0.03 -0.09 0.04 0.02 -0.09 0.04 0.08 -0.03 0.07 0.06 -0.12 0.01 0.01 -0.10 0.05 0.01 -0.08 0.06 -0.02 -0.09 0.05 -0.00 -0.11 -0.04 0.13 -0.14 0.01 -0.01 -0.09 0.08 0.01 -0.02 0.04 0.00 -0.12 -0.08 0.13 -0.16 -0.03 0.02 0.20 -0.02 0.07 -0.15 -0.08 -0.04 0.00 0.06 -0.03 0.08 0.01 -0.03 0.09 -0.10 -0.05 0.10 0.02 0.01 -0.07 0.04 0.02 -0.09 0.04 0.09 -0.08 0.09 0.12 0.00 0.10 0.02 -0.10 0.05 0.00 -0.09 0.06 -0.06 -0.09 -0.04 0.17 -0.15 0.04 -0.00 -0.15 0.10 0.02 -0.02 0.03 -0.04 -0.12 -0.12 0.19 -0.18 -0.03 0.04 0.29 0.01 0.08 -0.16 -0.11 -0.06 0.02 0.06 -0.03 0.15 -0.01 -0.06 0.07 -0.16 -0.13 0.10 -0.07 0.04 0.00 -0.05 0.00 0.25 0.04 0.06 -0.14 0.11 0.17 -0.02 -0.08 0.04 -0.01 -0.06 -0.04 -0.01 -0.05 0.04 0.00 -0.14 0.05 -0.02 0.00 -0.06 -0.03 0.00 -0.06 -0.05 0.01 0.11 -0.02 -0.07 0.10 -0.00 0.04 0.00 -0.02 0.02 -0.06 -0.03 0.00 -0.06 -0.06 0.02 0.10 -0.00 0.10 0.01 -0.02 0.08 0.07 -0.22 -0.01 0.06 -0.01 0.12 -0.08 0.00 -0.01 -0.07 -0.02 -0.00 0.01 0.15 0.13 -0.09 0.01 -0.02 -0.06 0.01 -0.10 -0.08 -0.01 -0.04 0.05 0.09 -0.19 0.04 -0.07 -0.20 -0.06 -0.05 0.01 -0.09 -0.00 0.02 0.14 0.00 0.03 -0.04 -0.03 -0.01 -0.07 -0.03 0.00 -0.05 -0.08 0.03 0.14 0.00 0.13 -0.03 -0.03 0.09 0.10 -0.44 -0.06 0.06 -0.01 0.16 -0.09 0.03 -0.03 -0.07 -0.02 -0.00 -0.01 0.29 0.22 0.04 0.03 -0.04 -0.04 -0.01 0.00 -0.02 -0.04 0.00 -0.09 0.08 0.02 -0.02 0.03 -0.05 -0.03 -0.01 -0.02 -0.01 -0.03 -0.03 -0.03 -0.02 0.00 -0.02 -0.02 0.01 0.04 0.01 -0.03 0.04 0.03 -0.02 -0.03 0.01 -0.03 0.06 -0.09 0.07 -0.07 0.02 -0.01 -0.02 0.18 -0.10 0.10 -0.12 0.06 0.09 -0.14 0.12 -0.04 -0.02 0.04 -0.08 0.06 0.01 0.04 -0.10 0.11 -0.02 0.18 -0.11 0.10 -0.13 0.07 -0.06 0.02 0.01 0.04 0.02 -0.02 0.00 -0.07 -0.05 -0.05 -0.02 -0.02 -0.03 -0.03 0.01 -0.04 -0.01 0.01 0.06 0.00 -0.03 0.04 0.00 -0.03 0.10 -0.13 0.09 -0.13 0.07 -0.05 -0.07 0.30 -0.17 0.14 -0.23 0.13 0.16 -0.21 0.18 -0.08 0.01 0.02 -0.10 0.09 0.02 0.07 -0.14 0.15 -0.07 0.30 -0.18 0.15 -0.25 0.13 -0.06 0.02 0.01 0.08 -0.04 -0.02 -0.00 -0.04 -0.03 -0.10 0.13 -0.01 -0.13 0.17 -0.00 0.10 -0.16 0.03 0.02 -0.10 0.00 0.02 -0.09 0.01 0.02 -0.09 -0.04 -0.01 -0.06 0.02 0.08 -0.05 0.03 0.07 -0.00 0.01 0.06 -0.12 0.01 -0.06 0.07 -0.02 -0.03 -0.10 0.06 0.07 0.02 -0.01 0.06 0.00 0.00 -0.13 0.15 -0.02 -0.09 -0.02 0.06 -0.02 -0.01 -0.03 -0.14 0.11 0.02 0.07 0.02 -0.02 0.05 0.00 -0.01 -0.17 0.25 0.01 0.06 0.00 -0.02 0.02 -0.14 -0.03 -0.04 -0.08 0.02 0.02 -0.07 -0.05 0.05 -0.11 -0.05 0.10 -0.09 0.06 0.11 -0.02 0.05 -0.05 0.10 -0.05 0.01 -0.19 0.09 0.08 0.02 -0.01 0.06 -0.01 0.01 -0.17 0.26 -0.06 -0.10 -0.05 0.09 0.04 -0.11 -0.04 -0.20 0.18 0.01 0.07 0.02 -0.03 0.05 -0.01 -0.01 -0.25 0.39 0.03 -0.06 0.03 0.02 0.06 -0.02 0.02 0.11 -0.10 0.02 -0.04 0.13 0.05 0.08 0.04 -0.06 0.06 -0.03 -0.00 0.04 -0.05 -0.01 0.06 -0.03 0.01 0.05 -0.01 0.00 -0.02 -0.09 -0.03 -0.01 -0.12 0.00 0.07 -0.00 -0.03 0.11 -0.05 0.05 -0.07 0.11 -0.06 -0.04 -0.11 0.01 0.01 -0.13 0.02 0.03 0.05 0.02 -0.16 0.22 -0.11 -0.03 0.12 0.04 -0.11 0.20 -0.07 -0.05 -0.07 0.02 0.01 -0.09 0.03 0.05 -0.00 0.04 -0.03 -0.05 0.02 0.03 0.00 0.01 0.09 -0.06 -0.02 0.07 -0.03 0.00 0.05 -0.03 0.01 -0.04 -0.05 -0.06 -0.06 -0.12 -0.05 0.21 -0.15 0.11 -0.10 0.12 -0.09 -0.06 -0.11 0.00 0.04 -0.15 0.02 0.07 0.02 0.05 -0.26 0.33 -0.17 -0.08 0.20 0.05 -0.19 0.30 -0.11 -0.07 -0.05 0.02 0.03 -0.09 0.03 0.07 -0.03 0.04 -0.03 -0.01 0.03 0.03 0.03 0.02 0.05 -0.01 0.01 0.07 -0.03 0.00 0.01 0.04 -0.02 0.02 0.00 0.00 -0.02 -0.02 -0.02 0.04 0.02 0.02 0.02 -0.00 0.00 -0.03 -0.03 -0.02 -0.03 -0.03 -0.00 0.01 0.02 -0.01 -0.08 0.12 -0.08 0.10 -0.10 0.06 -0.10 0.10 -0.07 0.03 -0.15 0.07 -0.11 0.15 -0.10 0.08 -0.07 0.04 0.04 0.02 0.01 -0.03 0.06 -0.04 -0.10 0.12 -0.06 0.03 -0.15 0.08 0.08 -0.05 0.00 -0.04 -0.01 0.01 -0.03 -0.01 -0.05 -0.03 -0.05 0.00 0.05 0.01 0.03 0.04 0.03 0.03 -0.03 -0.02 -0.04 -0.05 -0.05 -0.03 -0.14 0.20 -0.13 0.17 -0.18 0.12 -0.15 0.20 -0.13 0.08 -0.25 0.12 -0.19 0.26 -0.18 0.14 -0.15 0.09 0.03 0.05 0.02 -0.05 0.08 -0.06 -0.15 0.23 -0.12 0.09 -0.25 0.14 0.10 -0.09 -0.01 -0.02 -0.03 -0.02 -0.00 -0.02 -0.07 0.18 -0.16 -0.03 -0.14 0.09 0.11 0.12 -0.12 -0.02 0.00 0.00 -0.09 -0.04 0.06 -0.04 -0.01 -0.01 -0.18 0.00 0.01 -0.05 -0.02 0.06 0.07 -0.02 0.06 0.05 0.07 -0.06 -0.06 0.00 0.08 -0.05 0.01 -0.05 0.00 0.01 0.03 0.05 -0.06 0.07 0.03 0.02 0.06 0.02 0.03 -0.08 0.08 -0.19 0.13 0.02 0.04 -0.03 0.08 0.01 0.01 0.03 -0.06 0.05 0.00 0.09 -0.09 0.08 -0.02 0.02 0.01 -0.04 0.05 -0.06 -0.08 0.10 -0.05 0.01 0.11 -0.24 -0.04 -0.10 -0.26 0.00 -0.00 0.12 -0.02 0.14 0.12 -0.01 0.14 -0.10 -0.00 -0.09 -0.01 0.04 0.02 0.07 -0.09 0.10 0.03 0.02 0.10 0.02 0.04 -0.15 0.12 -0.35 0.25 0.01 0.07 -0.06 0.14 0.04 -0.02 0.03 -0.09 0.07 -0.01 0.20 -0.18 0.14 -0.02 0.02 -0.12 -0.04 -0.10 -0.00 -0.09 -0.05 0.00 -0.10 -0.01 -0.01 0.05 0.41 -0.31 -0.01 -0.01 -0.02 0.00 0.02 -0.00 -0.05 -0.06 0.01 -0.01 0.01 -0.02 0.04 0.04 0.14 0.07 -0.01 0.18 0.01 0.11 -0.10 -0.05 0.03 -0.05 0.04 -0.03 -0.01 0.13 -0.06 0.17 0.03 -0.05 0.18 -0.05 0.02 -0.08 0.05 -0.05 -0.02 -0.05 -0.07 -0.00 0.01 -0.01 -0.06 0.13 -0.09 0.12 0.02 -0.08 0.12 -0.12 0.01 -0.00 0.06 -0.07 0.08 0.01 -0.02 -0.03 -0.07 0.07 -0.01 -0.07 -0.09 0.03 -0.08 -0.03 0.04 0.09 -0.01 0.15 -0.02 0.10 0.17 -0.08 0.06 -0.07 0.07 -0.04 0.02 0.18 -0.05 0.20 -0.01 -0.04 0.20 -0.08 0.05 -0.11 0.09 -0.08 -0.01 -0.03 -0.10 -0.00 0.01 -0.02 -0.07 0.18 -0.10 0.10 -0.03 -0.08 0.10 -0.15 0.06 -0.00 -0.02 -0.01 0.07 -0.04 -0.14 0.07 -0.12 -0.11 0.04 -0.11 0.05 -0.01 0.45 0.00 0.03 -0.00 0.06 0.07 0.05 0.05 0.06 -0.07 -0.06 0.11 -0.01 0.10 0.01 -0.04 -0.00 -0.06 -0.05 -0.01 -0.08 0.13 0.05 0.06 -0.05 0.04 -0.02 0.07 0.11 -0.02 -0.08 0.01 -0.08 -0.03 -0.00 -0.08 0.02 -0.05 -0.07 0.15 0.02 -0.06 -0.04 -0.04 0.04 0.13 -0.07 -0.08 -0.08 0.02 -0.05 -0.02 0.01 -0.05 -0.17 0.01 -0.01 -0.05 0.01 -0.03 0.05 0.12 0.15 0.18 0.03 0.03 -0.11 -0.11 0.15 -0.13 -0.00 0.16 -0.10 0.06 -0.08 -0.02 -0.06 -0.09 -0.10 0.05 -0.01 0.10 0.16 0.00 -0.11 0.01 -0.09 -0.01 -0.01 -0.09 -0.01 -0.12 -0.09 0.22 0.01 -0.07 0.02 -0.04 0.06 0.19 -0.15 -0.10 -0.10 0.03 -0.04 0.01 0.02 -0.04 -0.23 0.06 -0.05 -0.01 0.12 -0.03 -0.06 -0.01 -0.04 -0.04 0.01 -0.02 -0.06 -0.03 0.00 -0.10 -0.17 0.17 -0.02 0.12 -0.04 0.07 0.12 -0.03 -0.08 0.05 -0.05 -0.05 0.14 -0.05 -0.01 0.05 -0.11 0.04 -0.08 -0.04 -0.03 0.02 0.03 -0.04 0.16 -0.05 -0.02 0.10 -0.02 0.05 -0.15 0.01 0.10 -0.16 0.02 0.02 0.08 0.01 0.05 0.02 0.05 -0.07 -0.03 -0.02 0.08 -0.00 0.07 0.07 -0.18 0.06 0.13 -0.20 0.07 -0.05 -0.01 0.00 0.09 -0.15 0.05 0.07 0.17 0.07 0.18 0.11 -0.05 -0.10 0.07 -0.06 -0.11 0.03 -0.06 -0.06 0.13 -0.15 -0.09 -0.01 -0.14 -0.08 0.21 -0.09 -0.03 0.11 -0.03 0.03 -0.14 0.00 0.12 -0.17 0.01 0.02 0.09 0.02 0.08 -0.04 0.08 -0.09 -0.04 -0.03 0.14 -0.08 0.13 0.06 -0.19 0.08 0.15 -0.22 0.08 -0.03 -0.00 0.02 0.03 0.04 -0.05 -0.09 0.28 0.05 -0.01 0.13 0.03 0.13 -0.07 -0.01 0.39 -0.06 -0.03 -0.14 0.01 0.01 -0.11 -0.04 -0.03 -0.03 0.14 0.04 -0.11 -0.05 0.02 -0.00 0.03 -0.05 0.02 0.03 -0.01 -0.03 0.01 -0.00 -0.12 -0.09 0.02 -0.11 -0.05 0.01 0.05 -0.04 0.02 0.05 -0.01 0.02 -0.12 -0.11 -0.01 -0.11 -0.05 -0.02 -0.00 0.16 0.03 -0.12 -0.08 -0.03 0.08 -0.08 0.05 0.06 -0.05 0.04 0.12 -0.08 -0.01 0.07 -0.06 0.03 -0.09 -0.13 -0.09 -0.19 -0.06 0.01 0.04 0.13 0.05 0.04 0.15 0.05 0.04 0.03 -0.08 -0.01 0.00 -0.07 -0.13 -0.11 0.03 -0.10 -0.04 0.01 0.06 -0.04 0.03 0.05 0.01 0.00 -0.12 -0.13 -0.00 -0.10 -0.03 -0.04 -0.03 0.24 0.04 -0.13 -0.08 -0.05 0.09 -0.11 0.06 0.06 -0.06 0.03 0.21 -0.24 -0.04 -0.03 -0.04 -0.03 0.02 -0.01 0.16 -0.09 -0.04 0.10 0.08 0.04 -0.04 0.01 -0.16 -0.03 0.01 0.00 -0.13 0.00 -0.02 -0.14 0.02 -0.02 0.17 -0.00 0.03 -0.16 0.01 -0.01 0.00 0.00 0.01 0.06 -0.05 -0.00 -0.13 0.06 0.09 -0.12 -0.07 0.01 -0.12 -0.00 0.02 0.06 -0.02 0.03 0.05 0.09 0.07 0.02 -0.05 -0.01 0.01 0.12 0.04 0.09 0.04 0.00 0.08 -0.01 0.03 0.05 -0.03 0.04 0.04 -0.05 -0.01 -0.03 -0.03 0.03 0.04 -0.01 -0.02 -0.20 -0.07 0.01 -0.14 0.12 -0.23 0.28 -0.07 0.16 0.33 0.07 -0.07 0.02 -0.05 0.06 0.04 0.10 0.13 -0.17 -0.11 -0.02 -0.16 -0.00 0.02 0.07 -0.03 0.03 0.06 0.15 0.10 0.06 -0.11 -0.05 0.05 0.22 0.08 0.13 0.08 -0.04 0.19 0.00 0.03 0.04 -0.04 0.05 0.03 -0.12 -0.02 -0.12 -0.01 -0.03 -0.09 -0.04 -0.02 -0.01 -0.04 -0.03 -0.00 -0.05 -0.03 0.00 -0.01 -0.09 0.08 -0.01 0.05 -0.02 -0.14 -0.09 -0.13 -0.04 0.02 0.00 0.08 -0.01 0.10 -0.03 -0.01 -0.14 -0.02 0.07 0.01 0.02 0.08 -0.04 0.09 -0.06 0.11 0.15 -0.02 0.09 -0.02 0.04 0.05 0.02 0.06 0.03 0.04 -0.00 -0.01 0.11 0.05 -0.02 -0.06 -0.02 -0.00 0.01 0.12 -0.10 0.01 0.01 0.09 0.03 0.03 0.08 -0.04 -0.03 0.00 0.02 0.02 0.09 -0.14 -0.20 -0.35 -0.33 -0.18 -0.01 -0.05 -0.01 0.02 -0.06 0.05 0.03 0.09 0.04 -0.24 -0.10 -0.10 -0.20 0.10 -0.11 0.15 0.20 -0.03 0.13 -0.04 0.04 0.04 0.03 0.08 0.01 -0.00 -0.02 -0.04 0.12 0.09 -0.05 -0.07 -0.02 -0.00 -0.07 0.22 -0.21 0.00 -0.00 0.11 0.04 0.03 0.09 -0.04 -0.04 0.01 0.03 0.07 0.10 -0.12 0.09 0.05 -0.13 0.02 0.03 -0.03 -0.07 -0.02 0.01 -0.03 -0.03 -0.01 0.01 -0.05 -0.03 0.06 -0.01 -0.05 0.03 0.02 0.09 -0.06 -0.04 0.01 0.06 0.15 -0.00 -0.00 -0.01 -0.03 -0.01 -0.04 0.17 -0.06 0.01 0.12 -0.12 0.01 0.05 -0.01 -0.06 -0.05 -0.04 -0.02 0.10 0.06 0.01 0.04 -0.02 0.01 -0.09 0.04 0.03 -0.01 0.14 -0.03 0.04 -0.05 -0.12 -0.04 -0.08 -0.10 -0.07 -0.08 -0.01 0.00 -0.07 -0.12 -0.03 0.03 -0.04 -0.11 0.12 -0.03 0.01 -0.01 0.04 -0.07 0.06 0.05 -0.03 -0.10 0.33 0.10 0.27 0.28 0.25 -0.08 0.02 0.14 -0.18 0.02 0.11 0.01 -0.04 -0.09 -0.05 0.02 0.11 0.10 0.02 -0.01 -0.03 0.03 -0.09 0.08 0.04 -0.11 0.28 -0.07 0.08 -0.06 -0.15 -0.08 -0.12 -0.11 -0.04 -0.16 -0.04 -0.04 0.06 -0.00 0.14 -0.16 0.04 0.07 -0.10 0.03 0.03 0.10 -0.00 0.02 0.01 -0.01 -0.01 0.02 -0.01 -0.05 0.14 0.05 0.04 -0.01 0.02 0.02 -0.08 -0.02 -0.06 0.20 -0.06 -0.09 0.23 -0.12 -0.03 -0.02 0.01 0.03 -0.09 -0.00 -0.00 -0.13 0.01 -0.04 0.13 -0.07 -0.07 0.11 -0.07 -0.02 -0.02 0.00 -0.06 -0.07 0.02 0.14 -0.06 0.03 -0.10 0.02 -0.01 0.06 -0.13 0.05 0.03 -0.13 0.04 -0.00 0.07 -0.00 0.07 -0.20 0.08 -0.04 0.14 0.10 -0.01 0.16 0.01 0.02 -0.02 0.03 -0.05 0.00 0.03 -0.09 0.24 -0.08 0.05 0.12 -0.11 0.07 -0.11 0.01 -0.00 -0.18 0.01 -0.06 0.20 -0.11 -0.11 0.18 -0.09 -0.01 0.02 0.01 -0.09 -0.07 0.03 0.20 -0.08 0.04 -0.16 0.10 -0.03 0.10 -0.20 0.07 0.04 -0.19 0.07 -0.09 0.16 -0.02 -0.01 -0.04 -0.06 -0.06 0.06 0.00 -0.06 0.03 -0.00 -0.02 -0.04 -0.00 0.03 0.04 -0.01 -0.00 -0.02 0.02 0.14 0.10 0.11 -0.02 0.01 -0.01 0.04 -0.07 -0.08 -0.02 0.01 -0.10 0.00 -0.02 -0.02 -0.04 -0.06 0.06 0.10 -0.05 -0.04 0.02 -0.12 -0.04 -0.04 -0.02 0.02 0.04 0.01 -0.01 0.05 0.03 0.01 -0.03 -0.06 0.02 -0.06 0.02 0.00 -0.04 0.05 0.02 -0.04 0.05 0.07 0.04 0.06 0.06 -0.02 -0.03 -0.00 -0.01 0.07 0.07 0.14 0.25 0.39 0.44 0.12 -0.00 -0.01 0.04 -0.02 0.01 -0.02 -0.03 -0.08 0.20 -0.23 -0.08 -0.18 -0.21 0.17 -0.05 -0.05 0.02 -0.17 -0.04 -0.09 -0.04 0.01 0.08 0.02 -0.04 0.08 0.09 0.03 -0.08 -0.09 0.06 -0.07 0.03 -0.00 -0.10 0.13 0.03 -0.09 0.07 0.10 0.08 0.09 0.07 0.00 -0.07 -0.00 0.08 -0.00 0.02 0.10 -0.12 -0.03 0.09 -0.06 -0.02 -0.00 0.06 0.01 0.04 -0.04 0.06 -0.06 0.15 -0.06 -0.01 0.15 -0.08 -0.04 0.10 0.03 -0.03 0.00 -0.01 -0.09 0.07 -0.04 0.01 -0.13 0.11 -0.09 0.16 -0.05 0.01 -0.11 0.03 -0.01 -0.09 0.05 0.06 -0.13 0.07 0.02 -0.12 0.10 -0.04 -0.06 0.00 -0.03 -0.08 0.04 0.07 -0.07 -0.02 -0.13 0.01 -0.03 -0.02 0.06 -0.08 -0.05 0.05 -0.04 0.01 0.06 0.01 -0.05 0.16 -0.13 -0.00 0.18 0.00 0.06 0.16 -0.10 -0.11 -0.00 0.09 -0.13 0.18 0.11 -0.09 0.15 -0.11 -0.29 0.04 -0.07 0.03 -0.17 0.08 0.00 -0.13 0.06 0.13 -0.18 0.12 0.04 -0.18 0.13 -0.03 -0.05 0.02 0.00 -0.11 0.05 0.09 -0.11 -0.02 -0.20 0.10 -0.09 -0.03 0.09 -0.10 -0.10 0.04 -0.06 -0.03 0.14 0.03 0.17 0.04 -0.06 0.00 -0.01 0.13 -0.07 -0.05 0.09 0.06 0.03 -0.04 -0.03 0.01 -0.04 0.00 -0.03 0.00 -0.12 0.03 0.05 0.01 -0.01 -0.15 0.01 -0.01 0.02 -0.17 -0.02 0.04 -0.13 -0.06 -0.00 0.06 -0.09 0.01 -0.01 0.02 0.01 0.00 0.03 -0.01 -0.08 -0.07 -0.03 -0.03 -0.02 0.02 0.00 0.02 -0.00 0.02 0.02 -0.01 0.08 0.04 0.09 0.03 -0.00 0.01 -0.06 -0.02 0.00 -0.00 0.03 0.05 -0.05 -0.02 -0.04 0.05 0.05 0.01 -0.15 0.09 0.02 -0.11 0.03 0.04 0.12 0.33 -0.35 -0.08 -0.30 -0.41 -0.22 0.01 0.04 -0.17 -0.02 0.03 -0.02 0.04 -0.00 -0.01 0.06 -0.01 -0.06 -0.07 -0.02 0.05 -0.03 -0.04 -0.01 0.02 -0.01 0.01 0.03 -0.02 0.16 0.09 0.13 0.05 -0.03 0.02 -0.14 -0.02 0.07 -0.03 0.00 0.05 -0.10 -0.05 -0.12 0.11 0.04 -0.03 0.02 -0.02 -0.12 0.08 0.02 -0.08 -0.06 -0.01 0.04 0.05 0.07 0.08 -0.02 0.00 0.08 -0.13 -0.09 0.05 -0.01 0.02 0.15 0.04 -0.05 -0.09 -0.10 -0.08 0.04 -0.09 -0.01 0.01 -0.11 0.03 0.13 0.06 0.05 -0.11 -0.01 -0.03 -0.11 -0.06 0.00 -0.03 -0.05 0.02 0.02 0.07 0.06 -0.01 -0.04 0.00 -0.03 -0.06 -0.05 -0.08 0.05 0.01 0.05 -0.02 -0.04 -0.00 -0.02 0.00 0.03 0.04 0.03 0.04 0.05 -0.02 0.01 -0.15 -0.11 -0.10 -0.22 -0.15 0.12 -0.15 -0.24 0.30 0.09 0.23 0.34 -0.08 -0.09 0.04 -0.06 -0.08 0.04 0.09 0.11 -0.17 -0.05 -0.06 -0.14 -0.04 0.04 -0.03 -0.02 0.03 -0.01 0.11 0.11 0.01 -0.13 0.00 -0.01 -0.13 -0.11 -0.12 0.07 -0.02 0.13 -0.06 -0.04 0.03 -0.06 -0.01 0.02 0.08 0.06 0.11 0.01 -0.02 -0.04 0.01 -0.01 -0.02 0.02 0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.03 -0.02 -0.01 0.02 -0.04 0.01 0.05 -0.02 -0.01 0.01 0.04 -0.02 0.02 0.02 0.03 0.01 0.15 -0.02 -0.05 -0.11 -0.01 0.03 -0.05 -0.01 -0.02 0.03 0.01 -0.00 0.03 -0.07 -0.07 -0.06 0.04 -0.00 -0.11 -0.02 -0.02 0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.02 -0.02 0.01 -0.02 -0.07 0.03 0.07 0.08 0.02 0.06 0.01 0.01 0.01 0.02 0.04 0.10 0.02 0.05 0.00 -0.01 0.11 -0.06 -0.02 -0.11 0.11 -0.01 0.11 0.13 -0.10 -0.26 0.45 0.21 0.36 0.36 -0.01 -0.04 0.05 0.02 0.00 0.04 -0.15 -0.16 -0.07 0.12 0.01 -0.19 -0.02 -0.04 0.00 0.04 -0.01 0.01 -0.02 -0.02 -0.02 -0.04 0.03 -0.05 -0.16 0.04 0.13 0.19 0.04 0.11 0.02 0.02 0.02 -0.07 -0.03 0.01 0.02 -0.04 0.05 -0.02 -0.05 0.03 0.01 0.02 -0.02 0.03 0.09 0.12 -0.02 0.06 0.06 -0.08 -0.06 -0.02 -0.03 0.07 -0.10 0.03 -0.03 -0.07 0.08 0.01 0.02 0.06 -0.00 -0.05 -0.03 0.07 0.13 0.04 0.00 -0.08 -0.02 -0.05 -0.06 0.05 -0.07 0.01 0.05 -0.01 -0.06 0.04 0.02 -0.01 -0.05 -0.02 -0.01 0.04 -0.01 0.03 -0.01 -0.01 0.02 -0.00 0.05 0.00 0.06 -0.01 -0.00 -0.03 0.00 -0.02 -0.03 0.05 -0.00 -0.06 -0.22 -0.26 -0.32 -0.13 0.12 -0.05 0.38 -0.27 -0.09 -0.19 -0.34 0.08 -0.09 0.11 0.14 0.11 0.08 0.05 0.03 -0.11 -0.05 -0.09 -0.09 0.03 -0.17 0.05 0.06 -0.01 -0.06 0.07 0.05 0.01 -0.09 -0.03 0.00 0.08 0.00 0.05 -0.01 0.00 0.07 -0.01 0.07 -0.01 0.14 -0.04 0.04 -0.06 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 -0.01 -0.02 0.00 -0.01 -0.01 0.01 0.02 0.00 0.01 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.01 0.01 -0.02 -0.01 -0.11 0.13 -0.07 0.11 -0.12 0.09 0.04 -0.08 0.05 -0.04 0.08 -0.03 0.09 -0.13 0.08 -0.09 0.13 -0.08 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.08 -0.05 0.03 -0.08 0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.04 0.03 0.03 0.02 -0.01 0.02 -0.04 0.03 0.01 0.02 0.03 -0.01 0.04 -0.04 -0.03 -0.02 -0.03 -0.25 0.29 -0.18 0.22 -0.26 0.18 0.08 -0.17 0.11 -0.08 0.18 -0.08 0.20 -0.28 0.17 -0.21 0.28 -0.18 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.07 0.17 -0.11 0.06 -0.19 0.09 0.00 -0.00 0.00 0.01 0.01 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.00 -0.02 0.00 -0.01 -0.01 0.01 0.01 -0.02 0.02 -0.00 -0.00 0.01 -0.01 -0.00 -0.02 -0.01 0.02 0.02 -0.01 -0.02 -0.01 0.05 -0.06 0.05 -0.06 0.09 -0.05 0.06 -0.13 0.09 -0.08 0.16 -0.07 -0.05 0.08 -0.04 0.06 -0.06 0.04 -0.01 0.00 -0.01 0.02 0.00 0.00 -0.05 0.13 -0.09 0.05 -0.15 0.07 0.01 0.00 0.00 0.00 -0.02 -0.01 -0.01 -0.00 0.02 0.02 -0.01 -0.00 0.00 -0.06 0.04 0.02 0.02 0.05 0.01 0.04 -0.07 -0.03 -0.06 -0.06 0.13 -0.15 0.11 -0.12 0.18 -0.10 0.15 -0.29 0.19 -0.16 0.34 -0.15 -0.13 0.16 -0.10 0.13 -0.14 0.09 -0.01 0.00 -0.01 0.02 -0.01 0.00 -0.11 0.29 -0.19 0.10 -0.34 0.16 0.01 -0.00 0.01 0.05 0.03 -0.02 -0.02 0.02 0.01 -0.05 0.01 0.01 -0.01 -0.02 -0.01 -0.04 0.04 0.17 0.13 0.09 -0.02 0.14 -0.03 -0.09 0.02 0.02 -0.04 0.02 0.05 -0.05 0.01 -0.15 0.03 -0.01 -0.09 0.09 0.26 0.24 -0.03 0.00 -0.06 -0.07 -0.06 -0.06 0.01 -0.06 0.08 -0.01 -0.09 0.11 -0.01 -0.02 -0.07 -0.04 -0.08 -0.08 0.03 -0.03 0.02 0.02 -0.14 -0.06 -0.01 -0.03 0.02 -0.03 -0.05 -0.01 0.01 -0.03 -0.03 -0.01 0.07 -0.19 0.09 0.09 0.11 -0.08 0.22 -0.08 -0.08 0.02 0.08 -0.07 -0.01 -0.03 -0.08 0.04 -0.18 0.05 -0.08 -0.06 0.08 -0.01 -0.10 -0.03 -0.08 -0.15 -0.01 -0.09 0.27 -0.10 -0.19 0.31 -0.11 0.05 -0.03 0.01 -0.03 -0.10 0.04 -0.04 0.04 0.02 -0.16 -0.03 0.00 -0.11 0.19 -0.13 -0.16 0.11 -0.08 -0.02 -0.06 -0.02 0.00 -0.01 0.00 -0.02 0.03 -0.01 -0.04 0.03 -0.01 -0.02 -0.03 0.01 -0.07 0.04 0.06 0.13 -0.00 -0.00 -0.07 0.07 -0.01 0.06 -0.07 0.07 0.08 -0.05 0.02 -0.04 0.14 -0.03 -0.04 0.10 -0.08 0.32 -0.01 0.02 0.01 -0.02 -0.04 -0.05 -0.01 -0.01 0.02 -0.07 0.01 0.03 -0.07 0.01 -0.03 0.00 -0.05 -0.07 -0.01 -0.01 -0.06 0.02 -0.00 -0.03 -0.10 0.03 0.00 -0.03 0.02 0.02 -0.02 0.01 -0.01 -0.03 0.01 -0.07 0.15 -0.07 -0.09 0.01 -0.21 -0.25 0.05 0.06 0.08 -0.30 0.20 0.08 0.13 0.25 -0.07 0.16 -0.03 0.01 0.10 -0.05 -0.04 0.00 -0.05 -0.11 0.00 -0.06 0.06 -0.23 0.10 0.11 -0.23 0.09 -0.05 0.09 -0.07 -0.09 0.04 -0.05 -0.09 0.04 -0.01 -0.01 -0.13 0.08 0.06 -0.18 0.12 0.10 -0.16 0.10 0.02 -0.07 0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.02 -0.00 0.02 0.01 0.00 -0.02 0.04 0.01 -0.01 -0.01 0.01 0.01 -0.05 -0.00 -0.02 -0.06 0.01 -0.17 0.21 -0.14 0.02 -0.04 -0.01 -0.04 0.07 -0.03 0.07 -0.09 0.08 -0.01 0.02 -0.02 -0.01 0.01 -0.01 -0.02 -0.00 0.02 -0.02 -0.00 0.01 0.08 -0.09 0.06 0.07 -0.09 0.05 0.01 0.01 -0.01 -0.10 0.14 -0.08 -0.01 -0.03 0.01 -0.01 -0.04 0.02 0.03 0.01 0.00 -0.04 0.06 -0.04 -0.01 -0.07 -0.09 -0.05 -0.11 0.05 0.01 -0.07 0.02 0.00 -0.04 0.03 0.04 -0.07 0.01 0.07 -0.03 0.00 0.14 -0.16 0.10 0.14 -0.19 0.10 0.03 -0.11 0.08 0.01 -0.10 0.08 0.27 -0.33 0.22 0.26 -0.33 0.21 0.02 0.02 -0.00 -0.14 0.19 -0.11 0.05 -0.15 0.08 0.03 -0.16 0.08 0.03 0.01 0.00 0.04 0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.03 0.03 0.00 -0.00 0.00 0.11 -0.08 0.00 0.01 0.02 -0.03 0.03 -0.04 0.02 0.05 -0.09 0.00 -0.07 0.16 -0.06 -0.09 0.15 -0.08 0.00 -0.01 0.00 0.01 -0.01 0.01 -0.04 0.03 0.03 -0.06 0.01 0.03 -0.01 0.01 -0.01 -0.02 0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.03 0.01 -0.01 -0.07 0.04 -0.03 -0.08 0.05 -0.01 -0.00 -0.00 -0.09 0.12 -0.08 0.10 0.06 0.23 0.35 -0.06 -0.09 -0.01 0.15 -0.11 0.01 -0.10 -0.14 0.08 -0.19 0.08 0.20 0.00 0.07 -0.02 0.02 -0.02 -0.02 0.02 -0.01 0.06 -0.19 0.16 -0.01 -0.20 0.17 -0.04 0.05 -0.04 -0.05 0.06 -0.04 -0.00 -0.00 0.00 0.02 -0.03 0.02 0.12 -0.33 0.18 0.05 -0.36 0.19 -0.01 0.00 -0.01 -0.10 -0.03 0.03 -0.01 -0.00 0.00 0.02 0.00 0.00 0.01 0.01 0.00 -0.03 -0.08 0.01 -0.06 -0.04 0.03 -0.14 -0.05 0.23 -0.03 -0.02 -0.00 -0.07 -0.01 -0.02 -0.18 -0.11 0.09 -0.06 -0.01 0.00 0.11 0.22 -0.20 0.00 0.05 0.01 -0.03 -0.03 -0.05 0.11 0.00 -0.10 0.10 0.06 0.01 0.06 0.01 0.01 0.00 -0.07 -0.05 0.01 0.00 -0.00 0.02 0.06 -0.03 0.13 0.00 -0.06 0.12 0.05 0.02 0.01 0.01 0.00 0.12 0.07 -0.04 -0.18 0.15 0.43 0.11 0.04 0.08 -0.02 -0.01 -0.01 -0.01 -0.02 -0.00 -0.21 0.06 -0.05 -0.12 -0.32 -0.03 0.08 0.03 0.01 0.03 -0.04 -0.01 0.22 0.02 -0.05 0.22 0.02 -0.04 0.09 -0.09 0.04 0.01 -0.15 0.01 0.03 0.00 0.00 0.02 0.07 0.03 0.12 -0.04 -0.01 0.13 -0.01 0.05 0.01 0.01 -0.00 0.03 0.01 -0.01 -0.01 0.00 0.00 0.02 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.04 -0.01 0.00 0.02 -0.00 0.02 -0.05 -0.00 0.00 -0.06 0.03 0.12 0.07 0.05 -0.02 0.03 -0.00 -0.01 0.00 0.00 0.00 0.12 0.22 0.19 -0.22 -0.08 0.17 -0.01 -0.01 0.02 -0.04 -0.05 -0.02 0.25 0.07 -0.19 -0.13 -0.24 -0.22 0.01 -0.00 -0.00 0.06 -0.03 -0.12 -0.03 0.02 0.03 -0.05 -0.01 -0.01 0.01 0.01 0.00 -0.04 -0.03 0.03 0.05 -0.09 0.01 -0.04 0.01 0.03 -0.05 -0.00 -0.00 -0.04 -0.00 -0.00 0.05 0.08 -0.04 0.07 0.00 -0.04 -0.00 0.19 0.24 -0.13 0.07 0.23 -0.08 -0.01 -0.01 -0.08 -0.02 -0.01 0.13 -0.04 -0.28 -0.05 -0.18 -0.29 0.03 -0.00 -0.00 -0.05 0.13 0.23 -0.04 0.07 -0.00 -0.05 0.05 -0.02 0.01 0.02 -0.00 -0.04 -0.02 -0.00 -0.04 0.08 0.01 0.03 -0.08 -0.01 -0.04 0.05 0.01 -0.01 0.04 -0.03 -0.00 0.06 -0.05 0.01 0.02 -0.10 -0.05 0.13 0.01 0.03 0.01 0.03 -0.08 -0.12 0.02 -0.04 0.03 0.07 0.05 -0.16 0.10 0.03 0.01 0.02 -0.02 -0.00 0.06 -0.11 0.06 0.09 0.18 0.17 0.09 0.02 0.01 -0.05 -0.03 -0.01 -0.01 0.04 -0.09 -0.00 -0.01 -0.05 -0.01 -0.09 -0.13 -0.09 0.19 -0.01 -0.10 -0.02 0.00 0.00 0.05 0.02 -0.10 -0.03 0.20 0.05 0.22 -0.03 -0.13 -0.02 0.04 0.06 -0.07 0.20 0.07 -0.03 -0.31 0.16 -0.08 0.12 0.16 -0.04 0.03 0.03 -0.05 0.03 0.04 0.04 0.07 0.15 0.20 0.11 0.13 -0.02 0.07 -0.09 -0.02 0.06 -0.07 0.14 -0.26 -0.03 -0.04 -0.01 0.02 -0.00 -0.23 -0.07 0.13 -0.17 -0.07 -0.02 0.01 0.00 -0.06 -0.01 0.03 0.03 -0.01 -0.00 -0.03 0.01 -0.00 -0.02 -0.03 -0.00 0.03 0.04 -0.01 0.09 0.05 -0.05 0.02 0.02 -0.14 0.07 0.02 -0.01 0.09 0.08 0.03 -0.14 -0.13 -0.01 -0.08 -0.04 -0.03 -0.14 -0.13 0.13 0.04 0.02 -0.02 -0.04 0.05 0.13 0.19 0.01 -0.21 -0.11 0.00 -0.02 0.05 -0.02 -0.10 -0.03 0.00 0.04 -0.03 0.01 0.01 -0.08 -0.08 -0.02 0.24 0.07 0.01 -0.06 0.03 0.19 -0.03 -0.02 -0.00 0.09 0.11 -0.00 -0.05 0.23 -0.09 0.19 -0.07 -0.14 0.07 -0.00 0.00 0.04 0.04 0.00 -0.09 -0.23 0.06 -0.21 0.04 0.08 -0.08 -0.03 0.05 -0.07 0.01 0.11 0.27 -0.02 -0.16 0.03 -0.05 -0.09 0.08 0.03 -0.07 0.09 0.06 -0.03 -0.07 0.04 0.01 -0.10 -0.06 0.02 0.21 -0.04 0.13 -0.01 -0.09 0.26 -0.02 -0.02 0.00 0.02 0.01 0.00 -0.11 0.20 0.03 0.09 -0.16 -0.01 -0.07 0.12 0.01 -0.04 -0.00 -0.03 -0.08 0.02 -0.00 0.02 -0.03 0.01 -0.11 0.16 0.02 -0.04 -0.05 -0.01 0.05 -0.03 -0.03 0.02 -0.01 -0.04 0.19 -0.07 -0.01 -0.02 -0.02 0.02 0.03 -0.03 -0.06 0.08 -0.00 -0.07 -0.13 -0.08 -0.05 -0.04 0.02 0.05 0.01 0.01 -0.02 0.11 -0.18 -0.02 0.05 0.03 0.02 0.09 0.07 0.06 -0.12 -0.01 0.09 -0.01 0.02 0.00 -0.03 0.01 0.04 0.04 -0.04 0.09 0.10 -0.04 -0.01 -0.04 0.10 0.06 -0.08 0.22 0.07 0.07 -0.03 -0.03 0.06 -0.05 -0.03 0.03 0.03 -0.04 0.03 0.01 -0.07 0.03 -0.05 -0.08 -0.12 -0.08 -0.06 -0.08 0.03 0.01 -0.08 0.02 -0.01 0.34 -0.58 -0.07 0.05 0.03 -0.02 0.07 0.06 0.08 -0.07 0.01 0.11 -0.01 0.01 -0.00 0.01 0.00 -0.00 -0.04 0.16 0.01 -0.01 -0.09 -0.02 -0.11 0.05 0.01 0.02 -0.05 -0.04 0.12 -0.03 0.04 -0.02 -0.01 0.12 0.19 0.01 0.00 0.09 0.09 -0.00 0.02 0.06 0.04 0.01 0.01 -0.00 -0.15 0.07 -0.08 0.02 0.02 -0.09 -0.04 0.08 0.07 -0.03 -0.02 0.03 0.03 -0.02 -0.01 0.05 -0.05 -0.07 -0.00 0.01 0.09 0.02 -0.13 0.00 -0.13 -0.04 -0.02 -0.04 -0.01 -0.00 0.02 0.00 -0.04 -0.05 -0.05 -0.01 -0.01 -0.02 0.01 -0.04 -0.10 -0.12 -0.26 0.01 0.19 0.20 0.10 -0.05 0.26 -0.06 -0.05 -0.04 0.25 -0.10 0.03 -0.17 -0.10 -0.02 -0.09 0.01 -0.04 -0.05 0.08 -0.06 -0.01 0.01 0.01 -0.00 -0.01 0.21 -0.08 0.05 0.20 -0.06 0.10 0.12 -0.43 -0.06 -0.09 -0.09 0.02 -0.05 0.03 -0.03 0.01 0.05 -0.05 0.00 -0.12 0.00 -0.01 -0.00 0.00 0.01 -0.03 -0.00 -0.09 0.17 0.03 -0.11 0.21 0.02 0.01 0.03 0.05 -0.00 -0.03 -0.01 0.01 0.02 -0.07 0.02 -0.10 -0.02 -0.04 -0.03 0.00 -0.02 0.02 -0.02 -0.01 -0.00 0.00 -0.03 0.04 0.04 -0.02 0.01 0.04 0.00 -0.02 -0.03 0.01 -0.01 -0.00 0.01 0.00 0.01 -0.02 0.01 0.03 0.00 -0.02 -0.03 0.07 -0.09 -0.01 0.04 0.03 -0.00 0.00 -0.00 -0.01 0.00 0.01 0.01 0.13 -0.20 -0.03 0.02 -0.00 -0.00 0.01 0.06 -0.01 0.06 0.04 -0.10 0.02 -0.09 -0.02 0.05 -0.10 -0.02 -0.02 -0.05 0.04 -0.04 0.11 0.04 0.01 0.02 0.02 0.02 0.02 -0.02 0.02 0.01 -0.00 0.01 0.01 0.00 -0.05 -0.02 0.01 -0.05 -0.03 -0.02 0.21 -0.31 -0.04 0.04 0.03 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.39 -0.65 -0.09 0.01 0.00 -0.00 0.07 -0.17 -0.02 -0.06 0.14 0.02 -0.02 0.07 0.01 -0.04 -0.07 -0.12 -0.03 0.11 0.01 -0.03 -0.05 0.16 -0.17 0.19 0.02 0.08 0.07 -0.01 0.07 -0.07 0.04 0.04 -0.01 -0.00 0.08 -0.11 -0.08 0.06 -0.03 -0.09 0.01 0.04 0.08 -0.01 0.03 0.01 -0.02 -0.00 -0.04 0.04 -0.02 -0.09 -0.01 0.06 0.08 0.01 0.02 -0.00 -0.09 -0.09 0.02 -0.00 -0.00 0.04 -0.01 -0.03 -0.01 0.07 -0.08 -0.01 -0.05 0.01 0.00 -0.02 -0.14 0.05 -0.11 -0.10 0.23 -0.28 0.12 0.07 -0.27 0.23 0.05 0.06 0.08 -0.09 0.10 -0.28 -0.08 -0.05 -0.02 -0.08 -0.08 -0.02 0.01 -0.05 0.00 0.00 -0.05 -0.01 -0.02 0.08 0.15 -0.07 0.05 0.15 -0.01 -0.03 0.14 0.02 -0.12 -0.04 -0.01 0.03 -0.04 0.04 0.04 -0.06 0.02 0.19 -0.28 -0.04 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 -0.01 0.01 0.02 0.00 0.05 -0.07 0.04 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.04 0.04 -0.02 -0.04 0.05 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 0.07 -0.10 0.07 0.08 -0.10 0.06 -0.00 0.00 0.00 -0.03 0.05 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.02 0.01 -0.02 -0.00 0.01 0.01 0.01 0.02 0.01 0.01 -0.01 0.01 0.01 0.01 0.00 -0.29 0.37 -0.24 -0.26 0.33 -0.21 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.12 0.14 -0.09 -0.10 0.12 -0.08 -0.01 0.01 0.00 -0.32 0.42 -0.27 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 -0.01 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.00 -0.02 -0.05 -0.01 -0.03 0.01 -0.00 0.02 0.02 -0.00 -0.02 -0.02 -0.04 -0.09 0.20 -0.10 0.01 -0.01 0.00 0.02 -0.01 -0.03 0.00 0.02 0.03 0.05 -0.11 0.06 0.04 -0.10 0.09 0.01 -0.00 -0.03 -0.00 0.02 0.03 0.00 0.00 -0.00 -0.03 -0.02 0.00 -0.04 0.12 -0.08 -0.06 0.13 -0.05 0.01 0.00 0.00 0.10 -0.18 0.09 -0.03 0.09 0.20 0.24 -0.06 -0.08 -0.03 0.00 0.00 -0.03 0.01 0.00 0.01 -0.20 0.10 0.20 0.14 0.06 0.01 -0.03 -0.01 -0.01 -0.02 0.02 0.18 -0.36 0.22 0.15 -0.34 0.22 0.05 0.02 -0.01 0.04 0.03 0.01 0.01 0.01 0.00 -0.02 -0.04 0.01 -0.08 0.21 -0.13 -0.14 0.23 -0.12 0.01 0.00 -0.00 0.00 0.00 -0.00 0.15 -0.06 -0.02 -0.09 0.01 -0.02 -0.08 -0.05 0.00 -0.01 -0.01 -0.03 0.05 0.04 0.00 0.00 -0.00 0.00 0.19 0.28 0.02 -0.01 -0.10 0.04 0.01 -0.03 -0.01 0.00 0.02 -0.01 0.03 -0.05 -0.00 -0.08 0.06 0.05 -0.05 0.00 -0.09 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.05 0.01 0.08 -0.01 -0.06 -0.08 -0.05 -0.01 0.05 0.03 0.10 -0.04 -0.00 0.02 0.00 -0.01 0.01 -0.01 -0.08 -0.07 -0.01 -0.00 -0.02 0.01 -0.01 0.04 -0.00 0.05 -0.04 0.02 0.13 0.21 0.05 0.15 0.28 0.02 0.02 -0.07 0.02 0.03 0.01 0.01 0.08 -0.05 0.12 0.11 -0.07 0.02 0.02 -0.05 0.04 0.01 -0.05 0.03 0.09 -0.36 0.20 0.11 -0.38 0.15 -0.21 0.07 0.03 0.24 -0.17 0.14 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.04 -0.10 0.01 -0.01 -0.00 0.00 0.04 0.00 -0.01 -0.02 -0.00 -0.01 -0.03 -0.02 0.00 -0.00 -0.01 -0.02 0.03 0.04 -0.01 0.04 -0.00 0.05 0.10 0.05 0.00 -0.13 0.13 -0.09 0.03 -0.01 0.03 -0.03 0.02 -0.01 -0.01 -0.01 -0.01 0.03 -0.05 0.07 0.04 -0.08 0.01 -0.01 -0.02 -0.04 -0.00 0.02 0.03 -0.03 0.01 0.03 -0.01 -0.02 -0.04 -0.02 -0.01 0.02 0.09 -0.06 0.05 -0.02 -0.01 -0.04 -0.01 0.04 0.03 -0.03 -0.02 -0.00 0.05 -0.01 0.00 0.03 -0.09 -0.19 -0.18 -0.03 0.14 0.10 0.06 0.00 0.09 0.04 -0.00 0.00 0.11 -0.07 0.02 -0.15 -0.05 -0.03 0.03 0.01 0.01 0.00 -0.02 0.05 -0.10 0.02 0.07 -0.08 0.06 -0.33 0.32 -0.22 -0.32 0.30 -0.23 -0.06 -0.01 0.00 -0.20 0.32 -0.19 -0.05 -0.05 0.02 -0.03 -0.03 0.05 -0.02 -0.02 0.01 -0.03 -0.01 0.01 -0.03 -0.01 0.00 0.02 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.03 -0.03 0.03 0.00 0.05 0.14 -0.00 -0.00 -0.10 0.01 0.03 0.05 -0.07 0.05 0.12 0.10 -0.01 -0.09 -0.01 0.01 0.00 -0.01 -0.03 -0.02 0.02 -0.01 -0.02 0.02 -0.03 -0.04 -0.11 -0.15 -0.01 0.08 0.15 -0.00 -0.00 0.01 0.00 -0.01 -0.00 0.01 0.00 -0.02 -0.02 0.04 -0.02 -0.08 -0.12 -0.16 -0.04 0.09 0.18 0.02 0.01 0.00 0.16 0.05 -0.04 0.19 -0.29 -0.29 -0.23 -0.05 0.14 -0.16 0.13 -0.03 -0.08 -0.09 -0.06 0.08 0.19 -0.06 0.10 0.01 -0.06 -0.01 0.01 -0.01 -0.01 -0.00 -0.02 0.06 -0.02 -0.14 0.09 0.09 0.06 0.10 -0.15 0.09 0.10 -0.16 0.09 0.03 0.01 -0.01 0.10 -0.12 0.08 -0.28 -0.10 -0.02 -0.24 -0.01 0.13 0.02 0.01 -0.00 0.00 -0.01 0.00 0.03 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.04 -0.02 0.02 -0.03 -0.05 0.01 0.05 0.03 0.01 -0.02 0.03 -0.02 0.01 0.03 -0.06 -0.01 0.03 -0.02 0.02 0.00 -0.01 0.01 -0.01 -0.01 0.01 0.00 0.01 0.02 -0.05 0.02 0.02 -0.04 0.06 0.02 0.00 -0.02 0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.02 0.01 0.01 -0.07 0.01 0.01 -0.06 0.06 -0.01 -0.01 -0.00 -0.02 0.07 -0.05 -0.02 0.01 0.21 0.18 -0.05 -0.06 0.05 0.03 0.00 0.06 0.01 -0.01 0.03 -0.17 0.11 0.17 0.21 0.05 0.02 -0.01 -0.01 0.01 -0.02 0.02 -0.11 0.31 -0.18 -0.16 0.41 -0.19 -0.00 0.07 -0.04 -0.02 0.07 -0.02 -0.03 0.01 0.01 -0.05 0.05 -0.03 -0.15 0.28 -0.17 -0.21 0.37 -0.19 -0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.06 0.03 -0.02 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 0.03 -0.07 0.04 -0.03 0.06 -0.03 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.02 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.01 0.01 0.00 0.01 -0.02 0.01 -0.01 0.01 -0.01 -0.16 0.39 -0.22 0.14 -0.35 0.19 0.01 -0.01 0.01 -0.01 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.21 0.47 -0.26 0.17 -0.40 0.22 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -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 -0.05 0.06 -0.04 0.03 -0.04 0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.05 -0.03 0.04 -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 -0.01 -0.00 0.01 -0.01 -0.02 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.30 -0.37 0.24 -0.26 0.32 -0.20 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.25 -0.32 0.21 -0.29 0.37 -0.23 -0.00 0.00 0.00 -0.03 0.04 -0.03 0.01 -0.01 0.01 -0.01 0.02 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.00 0.01 0.02 0.01 -0.01 0.01 0.01 -0.00 0.00 -0.03 -0.05 0.17 0.05 0.06 0.10 0.04 -0.02 -0.10 -0.01 0.09 0.03 0.00 0.01 -0.10 -0.07 0.05 -0.06 0.10 -0.05 -0.04 -0.02 -0.03 -0.02 0.01 0.03 -0.01 -0.02 -0.04 0.03 -0.01 0.06 0.02 -0.05 -0.01 -0.04 -0.01 0.05 -0.02 -0.04 -0.05 -0.01 0.01 -0.04 0.02 0.02 -0.00 0.06 0.01 0.06 0.05 -0.06 -0.04 0.03 0.02 0.01 -0.04 0.02 -0.01 0.00 0.08 -0.43 -0.18 -0.11 0.18 -0.21 0.27 -0.07 -0.08 -0.25 -0.12 -0.17 0.02 0.01 -0.08 -0.10 0.02 -0.03 0.01 0.04 0.00 -0.04 -0.03 -0.02 0.13 -0.02 -0.04 0.10 -0.09 -0.09 -0.04 0.02 -0.06 -0.08 -0.01 0.05 -0.05 -0.04 0.02 0.02 -0.00 -0.02 0.32 -0.16 -0.05 0.30 -0.21 0.03 0.02 0.01 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.01 0.02 -0.06 -0.03 -0.01 -0.00 -0.02 -0.04 -0.04 -0.04 -0.05 0.17 0.01 -0.00 -0.06 0.02 0.02 0.16 -0.03 0.02 -0.01 -0.05 0.08 -0.08 0.02 -0.07 0.04 0.05 -0.01 -0.05 0.01 -0.00 -0.03 0.00 0.01 -0.01 -0.00 0.03 0.00 -0.01 0.02 -0.01 0.03 0.00 -0.03 -0.00 0.00 0.01 -0.02 -0.01 -0.01 0.00 -0.02 0.02 0.00 0.03 -0.00 -0.01 0.02 -0.02 0.01 0.00 -0.01 0.00 -0.02 0.01 0.03 -0.02 0.04 0.11 -0.11 -0.02 -0.11 0.49 -0.10 0.14 -0.39 -0.21 -0.07 -0.15 0.13 -0.09 0.38 0.10 0.06 -0.06 0.00 0.05 -0.07 0.03 0.03 -0.05 0.05 0.02 -0.07 0.04 0.02 0.08 -0.04 -0.03 0.05 -0.01 -0.05 0.00 -0.02 -0.09 0.10 -0.02 0.11 -0.16 0.09 0.09 -0.21 0.10 0.05 0.01 0.05 0.00 -0.00 0.00 -0.02 0.04 0.00 -0.01 0.01 0.00 -0.02 0.04 0.01 0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.09 -0.15 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.01 0.01 -0.00 0.00 -0.00 -0.00 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 -0.01 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 -0.48 0.82 0.11 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.11 0.18 0.02 -0.00 0.00 -0.00 0.00 0.02 -0.17 -0.17 -0.10 -0.04 0.29 0.13 0.25 -0.00 -0.01 -0.01 0.01 -0.01 0.04 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.15 0.13 -0.27 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.26 -0.17 0.28 0.00 -0.00 0.00 -0.01 0.02 -0.02 0.01 -0.03 0.02 -0.09 0.04 -0.03 0.11 -0.02 -0.04 -0.01 -0.04 0.03 0.00 0.07 0.02 0.02 -0.03 0.02 0.02 -0.04 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.01 -0.00 -0.00 -0.00 -0.15 -0.05 -0.42 -0.03 0.04 -0.02 0.01 -0.02 0.01 0.01 -0.03 0.02 -0.37 -0.29 0.08 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.03 0.00 -0.01 0.03 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.09 -0.16 -0.01 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 0.01 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 0.11 -0.19 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.49 0.82 0.10 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.03 0.00 0.00 -0.01 0.00 0.00 0.01 0.04 -0.02 -0.01 -0.01 -0.00 0.00 -0.03 0.02 -0.03 0.04 -0.04 0.03 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.01 0.01 0.00 -0.06 0.07 -0.05 -0.05 0.06 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.05 -0.06 0.04 -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 0.02 0.03 0.03 -0.01 -0.00 -0.02 -0.09 0.03 -0.05 0.09 0.04 0.01 -0.00 0.00 0.01 0.02 0.00 0.31 -0.39 0.26 0.30 -0.38 0.24 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.10 0.11 -0.07 0.03 -0.03 0.01 0.03 -0.00 0.01 -0.29 0.39 -0.25 0.00 -0.02 0.01 0.01 -0.02 0.02 -0.00 0.01 -0.02 0.00 -0.00 0.00 0.02 -0.01 0.01 -0.00 0.01 -0.04 -0.00 -0.00 0.01 -0.00 0.01 0.02 -0.08 -0.05 -0.01 0.01 0.01 -0.07 0.01 0.02 0.05 -0.02 -0.03 0.01 0.02 -0.01 0.09 -0.01 0.02 0.00 0.03 -0.00 0.01 -0.00 0.01 -0.02 -0.01 0.01 0.01 -0.02 0.03 -0.04 -0.02 0.05 -0.04 0.03 -0.00 -0.03 0.01 0.03 0.03 -0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.05 0.03 0.04 -0.07 0.03 -0.01 -0.01 0.00 -0.01 0.02 -0.00 0.03 -0.00 0.03 -0.02 0.17 -0.17 0.03 0.16 -0.03 0.05 -0.11 -0.07 0.08 0.22 -0.14 -0.18 -0.24 -0.06 0.06 -0.05 0.02 0.04 -0.02 0.05 0.09 -0.28 0.12 0.15 -0.37 0.18 0.03 0.04 -0.03 0.05 0.02 0.03 -0.01 -0.02 -0.01 -0.04 0.04 -0.03 -0.16 0.28 -0.14 -0.14 0.40 -0.22 0.01 0.00 0.04 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.00 0.01 -0.05 -0.00 -0.00 0.01 0.00 0.02 0.02 -0.04 -0.05 -0.04 0.01 -0.00 -0.08 -0.01 0.03 0.06 -0.02 -0.02 -0.00 0.01 -0.02 0.12 -0.03 0.07 -0.02 0.02 -0.00 0.02 -0.00 0.00 -0.01 -0.00 0.01 0.01 0.02 -0.07 0.01 0.03 -0.09 0.02 0.02 -0.00 -0.02 0.00 0.03 0.02 0.00 0.00 0.00 0.00 -0.01 0.00 -0.03 0.03 -0.02 -0.01 0.05 -0.04 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.01 0.06 0.03 -0.01 0.19 -0.21 0.02 0.19 -0.03 0.00 -0.13 -0.08 0.09 0.24 -0.16 -0.12 -0.34 -0.08 0.03 -0.03 0.01 0.02 0.01 0.03 -0.12 0.28 -0.19 -0.16 0.39 -0.24 0.01 0.02 -0.02 0.05 0.00 0.03 -0.01 -0.02 -0.00 -0.02 0.02 -0.03 0.05 -0.21 0.14 0.18 -0.26 0.15 0.02 0.00 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 -0.00 -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 0.04 -0.09 0.05 -0.03 0.07 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 0.07 -0.04 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.00 0.01 0.00 0.00 0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.20 0.50 -0.28 0.15 -0.38 0.20 -0.02 0.01 -0.01 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.18 -0.41 0.23 -0.13 0.30 -0.16 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.02 0.00 0.01 -0.04 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.03 0.06 -0.01 -0.09 0.05 0.01 0.01 -0.04 0.04 0.03 0.02 0.00 0.06 -0.04 -0.02 0.04 -0.00 -0.00 -0.00 -0.01 0.00 -0.04 0.06 -0.03 0.05 -0.06 0.03 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.03 -0.06 0.07 -0.05 0.02 -0.06 0.00 -0.00 -0.00 -0.02 0.01 -0.01 -0.01 -0.02 -0.01 -0.02 0.01 0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.12 0.17 0.09 0.04 0.07 -0.05 -0.01 0.09 -0.03 -0.03 -0.13 -0.04 0.13 -0.08 -0.02 0.14 -0.07 -0.03 0.23 -0.28 0.20 -0.24 0.33 -0.21 0.00 -0.05 0.02 -0.01 0.01 0.00 -0.29 0.36 -0.20 0.19 -0.29 0.14 -0.00 0.01 0.00 0.06 -0.09 0.07 -0.04 0.00 -0.02 -0.03 -0.01 0.03 0.03 0.00 0.04 -0.00 -0.00 0.00 0.02 -0.01 -0.03 -0.01 -0.01 0.06 -0.00 -0.00 -0.01 0.00 0.01 0.01 -0.04 -0.08 0.02 0.14 -0.07 -0.00 -0.01 0.06 -0.07 -0.05 -0.02 -0.01 -0.09 0.07 0.01 -0.06 0.00 0.00 0.01 0.02 -0.00 -0.03 0.02 -0.05 0.02 -0.04 0.06 0.01 -0.00 0.01 0.01 -0.00 0.01 0.07 -0.06 -0.00 -0.01 0.06 0.02 -0.00 0.00 0.01 0.00 0.04 -0.02 0.03 0.03 0.03 0.03 -0.01 -0.05 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.19 -0.29 -0.16 -0.08 -0.10 0.08 -0.01 -0.15 0.05 0.06 0.22 0.07 -0.23 0.09 0.06 -0.20 0.14 0.05 0.17 -0.22 0.11 -0.23 0.26 -0.13 0.01 0.03 0.00 -0.00 0.02 -0.02 -0.20 0.31 -0.23 0.15 -0.11 0.13 0.00 -0.01 0.00 0.12 -0.12 0.07 0.05 0.03 0.02 0.05 -0.01 -0.04 -0.04 -0.00 -0.06 -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 -0.03 0.02 0.00 0.02 0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.02 0.04 -0.04 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.03 0.05 -0.04 -0.05 0.07 -0.04 0.00 0.00 0.01 0.04 -0.08 0.05 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.05 -0.05 -0.05 -0.01 0.04 0.01 -0.02 -0.00 0.01 0.00 0.01 -0.05 -0.02 0.02 0.00 0.02 0.01 -0.07 0.10 -0.04 -0.18 0.24 -0.17 0.00 0.01 0.00 -0.00 0.01 -0.00 0.23 -0.29 0.18 0.31 -0.39 0.26 0.00 0.00 0.01 -0.33 0.40 -0.25 0.02 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.01 -0.09 0.00 -0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.04 -0.02 0.00 0.03 0.02 0.01 -0.03 0.01 0.03 0.00 0.00 0.01 -0.03 -0.02 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.06 -0.24 -0.29 -0.22 0.02 0.31 0.00 0.00 0.01 0.00 0.01 0.00 -0.05 0.02 0.05 -0.02 -0.03 -0.06 0.02 0.00 0.04 0.29 0.20 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.04 -0.02 0.07 0.01 0.00 -0.01 -0.05 -0.04 -0.01 -0.03 -0.06 0.02 0.06 0.01 0.01 -0.01 -0.17 -0.38 -0.19 0.08 0.35 -0.00 0.01 0.00 0.01 -0.00 0.01 0.05 -0.05 0.12 0.07 -0.09 -0.02 0.03 0.02 0.06 0.23 0.31 -0.07 0.02 -0.00 -0.01 -0.02 -0.01 0.00 0.03 0.01 0.07 0.00 0.00 -0.00 -0.03 -0.03 -0.06 0.00 -0.04 0.31 -0.01 0.00 -0.09 0.00 -0.00 -0.00 0.13 -0.08 0.04 -0.09 -0.06 -0.07 -0.01 0.08 0.04 -0.00 0.07 -0.03 0.02 0.07 0.06 0.03 0.00 0.03 -0.01 -0.00 0.00 0.01 -0.05 -0.03 -0.01 -0.02 0.06 -0.00 -0.01 -0.04 0.00 0.00 -0.01 -0.04 0.02 0.03 -0.02 -0.01 -0.05 -0.07 -0.01 -0.19 0.04 0.01 0.00 -0.03 -0.02 -0.01 0.00 -0.00 0.00 0.09 0.05 0.02 -0.01 0.00 0.02 -0.13 0.21 0.26 0.26 0.06 -0.26 -0.11 0.17 0.01 0.16 -0.00 -0.03 0.24 0.13 -0.11 -0.08 -0.10 -0.05 -0.08 0.09 -0.12 -0.14 0.17 -0.04 -0.00 -0.07 -0.03 -0.00 -0.03 0.02 0.03 -0.06 0.09 0.10 -0.13 0.02 -0.14 -0.07 -0.24 -0.02 0.10 -0.06 -0.10 -0.01 0.04 0.04 0.03 0.01 -0.10 -0.02 -0.25 -0.02 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.05 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.03 -0.01 0.02 0.02 0.03 -0.01 0.01 0.01 -0.00 -0.02 -0.02 0.00 -0.01 -0.03 0.00 0.03 0.02 -0.02 0.01 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.06 0.13 0.27 -0.10 -0.17 -0.22 0.02 -0.00 -0.03 0.00 0.02 0.02 -0.01 -0.00 -0.02 0.01 0.01 -0.00 -0.03 -0.10 -0.14 -0.01 0.08 0.16 0.01 0.01 0.00 0.19 0.06 -0.05 0.02 -0.01 -0.09 -0.08 0.03 0.02 0.01 0.00 0.00 0.06 0.01 0.00 -0.10 0.00 0.01 -0.03 -0.02 0.01 -0.01 -0.02 0.00 -0.00 -0.01 0.01 0.17 0.24 0.34 0.08 -0.17 -0.38 0.01 -0.00 -0.03 -0.01 0.02 0.03 -0.03 -0.01 -0.03 0.01 0.01 0.01 0.17 -0.08 -0.33 0.21 0.23 0.21 -0.02 -0.00 -0.04 -0.00 -0.00 -0.00 -0.00 -0.01 0.04 0.01 0.03 -0.19 0.01 0.00 0.06 0.01 0.02 0.02 0.23 -0.12 -0.07 -0.03 -0.21 -0.01 -0.13 0.08 -0.02 0.03 0.08 -0.05 -0.06 0.20 0.04 0.02 -0.03 0.05 -0.04 0.01 0.02 0.03 0.01 0.03 0.01 -0.02 0.03 -0.02 0.03 0.01 -0.03 -0.02 -0.07 -0.07 0.01 0.08 -0.01 -0.02 -0.06 0.04 0.01 0.11 -0.02 -0.03 -0.01 -0.02 -0.03 -0.03 0.02 0.01 0.01 -0.05 -0.03 -0.01 0.04 0.02 0.00 -0.04 -0.02 0.33 0.35 -0.11 -0.20 -0.11 -0.02 0.03 -0.27 0.10 0.00 0.06 0.19 -0.02 -0.16 0.11 -0.01 -0.01 0.14 -0.06 -0.10 0.10 -0.07 0.08 -0.05 0.09 0.04 -0.14 -0.03 -0.05 -0.04 0.11 0.12 -0.06 -0.07 0.15 0.04 0.16 -0.02 -0.03 -0.10 -0.05 -0.00 -0.03 0.11 0.10 0.02 0.07 0.03 0.16 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.01 0.01 0.00 0.01 0.12 -0.06 0.00 -0.05 0.03 0.00 -0.04 0.03 0.00 -0.05 -0.01 -0.02 0.02 -0.01 -0.02 0.03 -0.01 0.00 -0.02 0.01 -0.00 -0.05 -0.01 0.06 -0.03 -0.06 -0.04 0.00 -0.00 -0.01 0.01 0.01 0.01 0.06 -0.06 -0.17 -0.03 0.09 0.17 0.01 0.00 0.02 0.12 0.08 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.10 0.17 0.00 0.02 0.03 -0.02 -0.07 0.00 0.02 -0.05 0.03 -0.00 0.05 -0.06 0.00 0.11 0.01 -0.01 -0.30 -0.08 0.17 -0.22 -0.21 -0.17 -0.01 -0.03 -0.01 0.01 -0.00 0.03 -0.16 -0.35 -0.34 -0.33 -0.05 0.38 0.03 0.00 0.03 0.14 0.09 -0.04 -0.01 -0.01 -0.00 -0.03 -0.01 0.01 0.01 0.01 0.02 -0.00 -0.00 -0.00 -0.02 0.01 0.02 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.01 -0.00 -0.03 -0.09 0.27 -0.07 0.03 -0.17 0.02 0.09 -0.10 0.03 0.09 0.03 0.04 -0.04 0.11 0.08 -0.03 0.02 0.04 0.01 -0.05 0.01 -0.04 -0.00 0.01 0.00 -0.01 -0.05 -0.00 -0.01 -0.02 -0.02 -0.03 -0.04 -0.00 -0.03 -0.04 -0.04 -0.02 0.02 -0.01 -0.01 -0.05 0.05 0.05 0.02 -0.01 -0.00 0.00 0.04 -0.01 -0.04 0.01 0.00 0.02 0.02 0.02 0.01 0.08 -0.19 0.22 0.28 -0.31 0.04 0.11 0.07 -0.07 -0.06 -0.14 -0.02 0.14 0.15 -0.05 -0.29 0.01 0.01 -0.16 -0.16 0.17 -0.04 -0.16 -0.08 0.06 0.02 0.00 -0.06 -0.03 -0.01 -0.11 -0.16 -0.13 -0.27 -0.11 0.15 -0.05 0.00 -0.07 0.03 0.08 0.09 -0.11 0.00 0.08 0.16 0.07 -0.01 0.01 -0.01 0.02 0.02 0.00 -0.01 0.02 0.02 -0.05 -0.01 -0.01 -0.01 0.01 -0.00 0.03 -0.01 -0.03 -0.04 -0.01 0.02 0.18 -0.01 0.03 -0.08 -0.02 -0.02 -0.09 0.00 0.04 0.04 0.01 -0.01 0.05 0.01 0.04 0.01 -0.01 -0.00 -0.03 -0.03 -0.05 -0.03 0.05 0.01 -0.04 0.05 -0.01 -0.05 0.04 -0.00 -0.01 0.03 0.01 -0.02 -0.02 -0.04 -0.04 0.03 0.00 0.11 -0.01 0.02 0.04 -0.04 -0.06 -0.07 0.00 0.03 0.06 -0.02 -0.00 -0.04 -0.16 -0.04 0.06 -0.03 0.12 -0.01 0.11 -0.12 -0.00 -0.23 -0.26 0.05 0.17 0.19 0.10 0.23 0.03 -0.09 -0.26 -0.04 0.02 -0.17 -0.09 0.03 0.09 0.09 -0.01 0.23 0.10 -0.02 0.12 0.03 -0.11 0.10 0.09 0.02 -0.11 -0.08 0.01 0.05 0.02 0.13 -0.08 0.12 0.28 0.04 -0.07 -0.16 0.28 0.20 0.14 -0.04 -0.01 -0.07 -0.02 -0.01 0.01 0.01 0.02 -0.03 -0.01 -0.01 -0.00 0.00 -0.00 0.02 -0.00 -0.02 -0.02 0.01 -0.00 0.13 -0.02 0.03 -0.06 -0.02 -0.01 -0.06 -0.00 0.03 0.03 0.04 -0.01 0.02 -0.00 0.02 0.01 -0.01 0.00 -0.02 -0.02 -0.04 -0.02 0.04 0.01 -0.02 -0.06 -0.01 0.03 -0.07 -0.04 -0.01 0.02 0.00 -0.02 -0.01 -0.03 -0.03 0.02 0.00 0.07 -0.01 0.02 0.03 0.01 0.05 0.09 0.02 -0.05 -0.10 -0.01 -0.00 -0.03 0.24 0.08 -0.06 -0.04 0.12 0.02 0.06 -0.02 -0.04 -0.17 -0.17 0.04 0.12 0.12 0.06 0.18 0.01 -0.07 -0.09 -0.05 -0.01 -0.13 -0.06 0.02 0.07 0.07 -0.00 -0.28 -0.11 -0.04 -0.31 -0.02 0.15 0.07 0.06 0.01 -0.09 -0.06 0.01 0.04 0.01 0.09 -0.06 0.09 0.21 -0.30 0.07 0.36 -0.23 -0.20 -0.19 -0.03 -0.00 -0.05 0.00 0.00 0.00 -0.02 -0.02 0.03 0.01 0.01 -0.01 -0.03 -0.01 -0.07 0.00 0.01 0.01 0.03 -0.04 -0.06 0.01 -0.02 0.01 -0.00 0.03 0.01 -0.02 0.02 0.04 -0.01 0.01 -0.01 -0.00 -0.02 -0.02 -0.01 0.00 0.01 -0.07 -0.07 -0.02 0.08 0.05 -0.03 -0.02 0.01 0.02 0.02 0.02 0.01 0.05 0.01 -0.05 -0.02 -0.04 -0.04 0.01 0.01 -0.07 -0.02 0.03 0.07 0.02 0.01 0.00 -0.02 0.00 0.02 -0.01 -0.02 0.08 -0.01 -0.01 -0.01 0.02 -0.06 0.02 -0.06 0.12 -0.07 0.16 0.04 -0.00 -0.11 0.00 -0.02 -0.14 0.03 0.04 0.11 -0.01 -0.02 -0.31 -0.17 0.10 0.24 0.25 0.08 -0.09 -0.04 0.00 0.11 0.00 -0.05 0.15 0.12 0.02 -0.13 -0.09 0.01 0.20 0.11 0.01 -0.14 0.21 0.50 0.14 0.01 -0.09 -0.12 -0.06 -0.01 0.10 0.02 0.25 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.02 0.01 0.00 -0.07 -0.03 -0.13 -0.00 -0.01 -0.01 -0.01 0.00 0.06 -0.00 0.03 -0.01 0.02 0.00 -0.03 -0.01 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.02 0.02 0.00 0.00 -0.01 0.03 0.02 0.01 -0.03 -0.02 0.01 0.02 -0.00 -0.02 -0.02 -0.02 -0.01 -0.01 -0.00 0.02 0.01 0.02 0.02 0.05 0.04 -0.04 0.01 -0.01 -0.03 -0.02 -0.01 -0.00 0.02 -0.00 -0.02 -0.04 -0.04 0.16 0.01 0.01 0.01 -0.01 0.05 -0.03 0.03 -0.08 0.06 -0.03 -0.07 0.01 0.07 0.08 0.03 0.12 -0.04 -0.03 -0.10 0.02 0.02 0.13 0.07 -0.06 -0.10 -0.08 -0.03 0.12 0.06 0.00 -0.13 -0.01 0.07 -0.04 -0.03 -0.00 0.06 0.04 -0.01 0.53 0.29 0.16 0.05 -0.08 -0.20 -0.15 -0.01 0.10 0.14 0.07 0.01 0.17 0.04 0.49 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.00 -0.01 0.01 0.01 0.02 0.00 0.01 0.01 0.02 -0.03 -0.05 0.00 0.02 0.04 -0.01 0.01 0.02 -0.04 -0.03 0.00 -0.00 -0.02 -0.05 -0.00 0.01 0.04 -0.00 0.01 0.00 -0.02 -0.02 -0.00 0.02 0.02 0.00 0.06 0.01 -0.03 -0.07 -0.03 0.00 0.02 0.01 -0.02 0.01 0.00 -0.00 -0.02 -0.01 -0.02 -0.01 0.00 0.02 -0.06 -0.03 -0.01 0.06 0.00 -0.04 0.01 0.01 -0.02 0.00 0.02 0.03 -0.01 0.00 -0.08 -0.05 0.02 0.06 0.12 0.04 -0.00 -0.10 -0.03 -0.02 -0.01 -0.10 0.03 0.09 0.06 0.00 -0.06 -0.03 0.01 0.09 0.11 0.05 0.41 0.19 0.05 -0.37 -0.03 0.25 0.07 0.07 0.02 0.03 0.01 -0.02 -0.12 -0.06 -0.07 -0.05 0.05 0.14 -0.37 -0.02 0.24 0.41 0.20 0.04 -0.01 -0.00 -0.06 -0.00 -0.00 -0.00 0.01 0.00 -0.04 0.00 -0.00 0.02 -0.01 -0.01 0.00 -0.00 0.00 0.01 -0.08 -0.08 0.01 0.00 0.01 -0.03 -0.01 0.01 0.01 0.17 0.14 -0.00 0.02 -0.03 -0.02 -0.04 -0.04 -0.02 0.01 0.00 0.00 0.04 0.02 -0.00 0.02 0.01 -0.01 0.02 0.01 0.01 -0.03 0.00 0.03 -0.07 -0.04 0.03 -0.03 -0.04 -0.03 0.02 0.01 0.03 0.02 0.02 0.01 -0.00 0.01 0.01 0.03 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.13 -0.23 0.14 -0.20 0.35 -0.20 -0.15 0.03 0.01 0.16 -0.01 -0.01 -0.33 0.07 0.06 0.26 -0.08 -0.04 -0.05 -0.00 0.05 -0.07 -0.12 -0.08 0.16 0.09 0.05 -0.12 0.00 0.11 -0.28 -0.29 -0.12 -0.21 -0.12 0.07 0.09 0.04 0.06 -0.00 0.04 0.07 0.01 0.01 0.01 0.14 0.07 0.02 -0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.02 -0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 -0.02 0.04 0.03 -0.01 -0.00 -0.00 0.00 -0.02 0.02 0.05 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 0.03 -0.02 0.02 -0.05 0.03 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.04 -0.01 -0.01 -0.03 0.01 0.01 0.18 0.08 -0.10 -0.10 -0.11 -0.06 -0.02 -0.01 -0.01 0.01 0.00 -0.01 -0.29 -0.36 -0.21 0.44 0.19 -0.23 -0.00 -0.00 -0.00 -0.15 0.22 0.54 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.01 0.00 0.01 0.00 0.00 0.01 -0.00 0.02 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.05 0.03 0.01 0.04 -0.00 -0.04 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.04 -0.00 0.03 -0.04 -0.02 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.03 -0.00 -0.01 -0.00 0.01 0.05 -0.01 0.00 -0.03 0.02 0.00 0.01 -0.01 -0.00 -0.06 0.02 0.01 0.01 0.01 -0.00 0.00 0.01 -0.00 0.43 0.24 0.11 0.39 -0.01 -0.32 -0.03 -0.03 -0.01 -0.04 -0.02 0.02 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.38 0.01 0.31 -0.40 -0.23 -0.10 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.07 0.13 0.01 0.02 -0.05 0.04 0.02 0.02 -0.00 -0.01 0.00 -0.04 -0.09 0.07 0.00 0.06 -0.00 0.03 0.05 -0.04 0.06 0.06 -0.00 0.02 -0.04 -0.00 0.00 0.04 0.01 -0.00 0.02 -0.01 0.03 0.02 -0.01 0.02 0.01 0.01 -0.02 -0.02 -0.01 0.00 -0.01 -0.01 -0.03 -0.02 0.01 -0.02 -0.02 -0.01 -0.04 -0.01 -0.09 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.02 0.02 -0.01 0.01 0.01 0.01 0.06 -0.09 -0.00 -0.01 -0.11 0.13 0.47 -0.12 0.04 -0.28 0.15 0.04 0.24 -0.10 -0.05 -0.40 0.14 0.08 0.11 0.06 -0.06 0.03 0.09 0.01 -0.18 -0.09 -0.06 -0.04 0.02 0.00 -0.18 -0.20 -0.10 -0.21 -0.11 0.10 -0.13 -0.06 -0.13 0.00 -0.00 -0.01 0.08 -0.00 -0.07 0.07 0.04 0.02 0.04 0.02 0.00 0.00 0.00 -0.00 0.02 0.02 -0.03 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.02 0.04 -0.01 0.00 -0.02 0.00 -0.01 -0.02 0.00 -0.05 -0.04 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.04 0.01 -0.03 0.04 0.05 0.03 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.02 -0.03 -0.01 0.02 0.01 0.00 0.02 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.05 -0.04 0.03 0.00 -0.02 -0.06 0.01 -0.01 0.04 -0.03 -0.01 -0.03 0.02 0.01 0.07 -0.03 -0.01 0.45 0.18 -0.26 0.32 0.39 0.23 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.20 -0.26 -0.16 -0.37 -0.15 0.21 0.01 0.00 0.02 -0.02 -0.01 0.01 -0.01 -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 -0.03 -0.01 -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 0.03 0.02 0.00 -0.12 -0.04 0.02 0.29 0.08 -0.09 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.06 0.02 -0.01 0.05 0.02 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 -0.06 -0.04 -0.07 0.01 0.08 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.05 -0.04 -0.05 0.00 -0.00 -0.02 0.02 -0.00 0.02 -0.01 -0.00 -0.50 0.08 0.10 -0.31 0.04 0.07 -0.04 -0.02 0.03 -0.02 -0.03 -0.02 -0.21 -0.13 -0.09 -0.34 0.05 0.32 -0.02 -0.01 0.00 -0.02 -0.02 0.01 0.04 0.02 0.02 0.00 0.00 0.00 -0.29 -0.06 0.12 -0.24 -0.08 0.04 -0.02 -0.01 -0.03 -0.00 -0.00 0.00 -0.13 -0.07 -0.01 0.07 0.04 -0.01 -0.03 -0.03 0.13 -0.00 0.00 -0.00 0.01 0.02 -0.00 0.00 -0.01 -0.01 0.08 0.04 0.01 -0.02 -0.02 -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 0.01 0.00 -0.00 0.00 0.01 0.01 0.01 0.01 -0.06 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.00 -0.00 -0.00 -0.02 0.04 -0.01 0.01 0.02 -0.03 -0.02 0.03 0.01 0.11 0.02 -0.01 -0.03 0.03 0.01 0.10 -0.04 -0.02 0.03 0.01 -0.02 0.02 0.03 0.02 0.02 0.01 0.01 0.00 -0.00 0.00 0.01 0.01 -0.00 0.02 0.01 -0.00 0.63 0.34 0.22 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.30 -0.11 -0.49 0.00 0.00 -0.00 -0.05 -0.04 0.09 -0.02 -0.01 -0.04 0.05 0.03 -0.01 -0.00 -0.02 -0.02 0.02 0.07 0.13 -0.00 -0.05 -0.09 0.04 0.01 -0.06 -0.05 -0.01 0.03 -0.01 0.03 0.04 0.00 -0.06 -0.05 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.02 -0.03 -0.01 0.02 0.02 0.02 -0.02 0.02 0.03 0.01 -0.00 -0.01 0.01 0.01 0.01 -0.03 -0.01 -0.04 -0.00 0.00 0.00 -0.02 0.00 0.02 0.02 0.02 0.01 0.03 0.02 -0.00 -0.01 -0.02 -0.03 -0.05 0.14 0.03 0.07 0.05 -0.18 0.16 -0.14 0.02 -0.11 0.16 0.07 -0.41 0.25 0.05 0.52 -0.26 -0.11 0.11 0.05 -0.07 -0.04 -0.05 -0.03 0.12 0.07 0.05 -0.07 -0.00 0.09 0.04 0.04 0.01 0.06 0.04 -0.02 -0.17 -0.08 -0.10 0.02 -0.02 -0.06 0.02 0.00 -0.00 -0.03 -0.02 0.00 0.15 0.07 0.17 0.00 0.00 0.00 0.09 0.05 0.05 0.17 0.10 -0.00 -0.03 -0.00 -0.10 -0.00 -0.01 -0.01 0.01 0.01 0.04 -0.01 0.00 -0.02 -0.05 -0.03 -0.01 -0.01 0.01 0.03 0.01 -0.00 0.01 -0.00 -0.01 -0.02 -0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.01 0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.01 -0.03 -0.02 0.01 -0.00 0.00 0.01 -0.01 0.00 0.01 0.01 0.01 0.00 -0.13 -0.09 0.10 -0.00 -0.01 -0.01 0.02 -0.02 0.04 0.02 -0.02 -0.02 0.18 -0.06 -0.00 -0.30 0.01 0.03 -0.08 0.06 0.00 0.02 -0.03 -0.01 0.03 0.01 -0.02 -0.03 -0.03 -0.02 0.02 0.02 0.01 -0.02 0.00 0.02 0.02 0.02 0.01 -0.00 -0.00 0.00 -0.17 -0.10 -0.06 0.01 -0.01 -0.03 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.58 -0.28 -0.53 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.09 -0.06 -0.02 0.05 0.00 -0.01 -0.02 0.01 0.00 0.06 0.02 -0.02 -0.08 0.06 0.03 0.03 -0.00 0.05 0.01 0.01 -0.00 -0.00 0.00 0.00 0.02 0.02 0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.02 -0.01 0.00 0.02 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.02 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.02 -0.19 0.44 -0.35 0.12 -0.35 0.21 0.14 -0.02 0.01 0.06 -0.02 -0.02 0.19 -0.05 -0.02 0.54 -0.20 -0.09 -0.07 -0.03 0.05 -0.02 -0.01 -0.02 -0.04 -0.04 -0.01 0.03 -0.02 -0.02 -0.05 -0.05 -0.01 -0.04 -0.03 0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.03 -0.02 -0.01 0.01 -0.00 -0.01 -0.00 -0.03 -0.01 -0.02 -0.00 -0.00 -0.00 -0.02 -0.01 0.02 0.01 0.01 -0.01 0.02 0.01 -0.02 -0.00 -0.00 -0.01 0.02 0.03 0.02 0.01 -0.02 -0.00 0.02 -0.00 -0.01 -0.02 0.00 0.02 -0.01 -0.01 -0.03 0.00 0.06 0.11 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.01 -0.02 -0.01 -0.13 -0.08 -0.05 0.11 -0.02 -0.12 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.00 0.01 0.08 -0.02 -0.10 -0.08 -0.07 -0.06 -0.00 -0.00 0.01 0.02 0.14 0.24 0.05 -0.09 0.07 -0.12 0.25 -0.15 -0.08 -0.00 -0.00 0.01 0.03 0.02 -0.14 -0.03 0.06 0.13 -0.00 -0.02 0.04 0.01 -0.03 -0.00 -0.02 -0.01 0.39 0.18 0.09 -0.36 0.01 0.25 0.02 0.03 0.01 0.01 0.00 0.00 -0.04 -0.02 -0.00 0.01 -0.01 -0.01 0.25 -0.03 -0.24 -0.29 -0.19 -0.12 -0.02 -0.01 -0.02 0.00 0.00 0.00 0.04 0.02 -0.03 -0.03 -0.02 0.02 -0.05 -0.03 0.05 0.00 0.00 0.00 0.01 -0.02 -0.06 0.03 -0.00 0.02 -0.03 0.00 0.02 -0.09 0.12 0.30 -0.03 0.01 -0.01 0.01 0.02 0.05 -0.02 -0.01 0.01 0.16 0.05 -0.12 -0.11 -0.15 -0.10 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.11 -0.16 -0.11 0.18 0.07 -0.11 0.04 0.03 -0.03 -0.05 0.08 0.17 0.02 -0.00 -0.01 -0.02 -0.01 -0.00 0.01 0.01 -0.05 -0.00 -0.01 -0.02 -0.02 0.07 -0.07 -0.05 0.06 0.00 0.22 0.03 -0.01 -0.07 -0.05 -0.03 0.11 -0.09 -0.00 0.10 -0.01 -0.01 0.17 0.04 -0.12 -0.09 -0.10 -0.09 -0.16 -0.10 -0.04 0.13 -0.01 -0.11 0.24 0.28 0.14 -0.28 -0.13 0.16 0.11 0.06 -0.01 0.05 -0.07 -0.15 -0.14 0.00 0.11 0.13 0.08 0.04 0.08 0.04 0.06 0.00 0.00 0.00 -0.05 -0.03 0.03 0.02 0.01 -0.02 0.06 0.04 -0.05 -0.00 -0.00 -0.00 0.01 0.02 0.01 0.03 -0.03 0.01 0.04 0.01 -0.02 -0.01 -0.01 -0.01 -0.04 -0.01 -0.03 0.02 0.06 0.11 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 0.00 -0.01 -0.00 0.01 -0.04 -0.03 0.03 0.00 -0.00 -0.01 0.06 0.00 -0.05 -0.07 -0.03 -0.01 0.00 -0.00 0.05 -0.00 -0.02 -0.03 0.03 -0.03 0.05 -0.19 0.31 -0.15 -0.24 -0.00 0.00 0.13 0.05 0.02 -0.02 -0.09 0.03 0.16 0.00 -0.02 0.01 0.00 -0.00 0.02 -0.00 0.01 -0.32 -0.19 -0.08 0.29 -0.01 -0.23 -0.00 -0.01 -0.01 0.02 0.01 -0.01 -0.09 -0.05 0.02 0.00 -0.00 -0.00 -0.34 0.01 0.28 0.35 0.21 0.10 -0.06 -0.03 -0.05 -0.00 -0.00 -0.00 -0.11 -0.07 0.01 0.01 0.01 -0.05 0.14 0.09 -0.11 0.00 0.01 0.01 -0.02 -0.03 -0.09 0.00 0.01 0.03 0.05 0.04 0.01 -0.01 0.02 0.05 0.00 0.02 0.01 -0.01 -0.04 -0.07 0.00 -0.00 0.00 0.03 0.01 -0.02 -0.01 -0.02 -0.01 0.03 0.01 0.00 -0.03 -0.00 0.01 -0.03 -0.04 -0.02 0.04 0.01 -0.03 -0.11 -0.08 0.10 -0.01 0.01 0.04 -0.06 -0.00 0.04 0.06 0.03 0.01 0.03 0.00 0.11 -0.00 -0.00 -0.00 -0.07 0.11 -0.12 0.06 -0.12 0.10 -0.41 0.03 0.04 0.51 -0.01 -0.04 0.23 -0.06 -0.04 -0.15 0.02 0.01 -0.00 -0.01 0.00 0.01 0.01 0.01 0.14 0.08 0.03 -0.14 -0.00 0.11 0.04 0.05 0.03 -0.10 -0.05 0.05 -0.09 -0.07 0.13 -0.00 -0.00 0.00 0.21 -0.01 -0.18 -0.22 -0.13 -0.06 -0.12 -0.05 -0.11 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.02 -0.03 -0.01 0.02 -0.01 0.01 0.00 0.00 -0.01 0.03 0.06 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.04 0.03 0.05 0.05 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.04 -0.09 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.06 0.04 0.05 -0.11 0.06 -0.08 0.02 -0.00 -0.01 0.00 0.00 -0.06 0.04 0.00 0.02 -0.01 0.00 0.46 0.19 -0.27 -0.32 -0.41 -0.25 -0.01 0.00 0.00 0.01 0.00 -0.00 0.18 0.22 0.12 -0.23 -0.10 0.12 -0.01 -0.00 -0.01 -0.08 0.12 0.29 -0.02 0.00 0.02 0.03 0.02 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.03 0.01 0.01 -0.03 -0.02 0.02 -0.00 -0.00 -0.00 -0.02 0.01 0.02 0.07 -0.07 0.04 0.04 -0.01 -0.02 0.00 0.00 0.00 -0.06 0.03 -0.02 0.01 -0.01 -0.02 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.01 0.00 0.04 0.01 -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.04 0.03 -0.03 0.01 -0.01 -0.02 -0.05 -0.01 0.03 0.05 0.03 0.00 -0.03 -0.01 -0.03 -0.00 0.00 0.00 -0.08 0.27 -0.06 -0.35 0.46 -0.19 -0.27 0.04 -0.03 -0.24 0.10 0.07 0.43 -0.26 -0.02 -0.04 0.00 -0.03 0.07 0.03 -0.04 -0.04 -0.08 -0.03 0.02 -0.01 -0.02 -0.02 -0.02 0.00 0.02 0.02 0.01 -0.02 -0.01 0.01 -0.10 -0.05 -0.10 -0.01 0.01 0.03 0.12 -0.01 -0.12 -0.15 -0.10 -0.05 0.04 0.01 0.07 -0.00 0.00 0.00 -0.02 -0.01 0.01 0.02 0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.03 -0.01 -0.00 -0.06 0.03 0.04 -0.00 -0.00 0.01 0.01 0.00 0.13 -0.01 -0.02 -0.04 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.04 -0.01 0.00 0.01 0.01 0.01 -0.01 -0.01 0.00 0.01 0.00 -0.01 0.02 0.01 -0.00 -0.00 0.00 0.01 0.04 0.01 -0.00 -0.02 -0.02 -0.01 -0.02 -0.01 -0.01 0.00 -0.00 -0.01 -0.30 0.54 -0.30 0.07 -0.02 -0.02 -0.24 0.04 -0.01 -0.15 0.04 0.03 -0.40 0.25 0.02 -0.29 0.22 0.09 -0.03 -0.02 0.02 0.00 -0.00 0.00 0.06 0.05 0.03 0.04 0.02 -0.02 -0.01 -0.00 0.00 -0.03 -0.02 0.01 -0.08 -0.04 -0.05 -0.00 0.00 0.01 -0.01 0.02 0.04 0.11 0.07 0.03 0.02 0.01 0.05 -0.00 -0.00 -0.00 0.05 0.02 -0.09 -0.08 -0.04 -0.03 0.04 0.03 -0.02 -0.00 -0.01 -0.01 -0.01 0.02 0.05 0.03 -0.07 0.02 -0.05 -0.01 0.02 0.01 0.01 0.01 0.02 0.00 -0.02 -0.01 -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 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.09 -0.06 0.04 0.01 -0.01 -0.02 -0.01 0.00 0.01 0.01 0.00 -0.00 0.08 0.04 0.07 0.00 0.00 0.00 -0.14 0.33 -0.05 -0.21 0.27 -0.13 0.62 0.04 -0.04 -0.15 -0.01 0.01 0.01 -0.02 0.01 -0.13 0.09 0.02 0.07 0.03 -0.04 -0.08 -0.09 -0.06 0.02 0.00 -0.00 0.02 -0.00 -0.02 0.01 0.02 0.01 0.01 0.00 -0.01 0.29 0.14 0.22 -0.00 0.02 0.03 0.03 -0.00 -0.03 -0.01 -0.01 -0.01 -0.10 -0.03 -0.20 -0.00 -0.00 -0.00 0.00 -0.03 0.06 0.04 0.02 0.00 -0.02 -0.01 0.01 -0.00 -0.00 -0.01 0.01 0.05 -0.00 0.01 -0.04 0.02 -0.11 0.03 -0.01 0.00 -0.00 0.00 0.02 0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 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 0.02 -0.03 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.05 -0.02 -0.04 0.00 0.00 0.00 -0.07 0.15 -0.00 -0.10 0.14 -0.06 0.34 -0.23 0.10 0.79 -0.15 -0.15 -0.02 -0.01 0.01 -0.11 0.07 0.02 0.04 0.01 -0.02 -0.04 -0.05 -0.03 0.01 0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 0.01 0.01 0.00 -0.00 -0.10 -0.05 -0.09 -0.00 0.01 0.02 0.01 0.00 -0.01 -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 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.05 0.03 -0.01 -0.08 -0.14 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.13 -0.02 0.06 0.14 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 0.12 0.05 0.01 -0.12 -0.01 0.07 0.00 0.00 0.00 -0.01 -0.07 -0.11 0.00 0.04 0.04 -0.10 0.06 0.00 0.02 0.01 -0.01 0.00 0.01 0.01 0.39 -0.21 0.04 -0.16 -0.14 -0.08 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.31 0.23 0.19 -0.29 0.07 0.35 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.16 0.07 0.26 0.21 0.19 0.17 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.09 0.03 0.10 -0.03 -0.01 -0.04 -0.01 -0.01 0.03 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.01 -0.05 -0.08 -0.04 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.05 -0.02 -0.08 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.01 0.01 0.00 -0.00 -0.00 -0.01 -0.03 -0.08 0.08 -0.00 -0.02 -0.14 0.46 -0.32 0.36 0.48 0.45 -0.01 0.01 0.00 -0.01 0.00 0.00 -0.03 -0.01 0.03 0.01 0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.02 -0.05 -0.02 0.03 0.13 0.08 -0.01 -0.02 0.02 0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.04 -0.01 -0.09 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 0.04 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.03 -0.06 -0.14 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.07 0.08 0.04 -0.08 -0.03 0.06 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.12 -0.08 0.01 0.11 0.09 -0.00 0.01 0.00 0.01 0.03 -0.05 -0.11 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.08 -0.07 0.01 0.00 0.04 -0.09 0.05 -0.05 -0.07 -0.06 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.19 -0.02 0.20 0.05 0.15 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 0.17 0.28 0.24 -0.32 -0.09 0.26 -0.01 -0.00 0.00 -0.16 0.23 0.55 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.02 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 0.06 -0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -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 -0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.14 -0.35 0.33 0.12 -0.17 0.01 -0.06 0.03 -0.02 -0.04 -0.04 -0.13 -0.39 0.45 -0.24 -0.43 -0.28 0.00 0.00 0.00 -0.01 -0.02 -0.00 -0.04 -0.02 -0.02 0.03 -0.01 -0.02 0.01 0.01 0.01 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.02 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.11 -0.06 -0.12 0.07 0.04 0.05 0.03 0.02 -0.02 0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.04 0.03 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.05 0.02 0.10 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.08 -0.04 -0.06 -0.00 0.00 0.00 0.01 0.00 0.06 -0.04 -0.03 0.03 0.46 0.51 -0.29 0.02 0.34 0.36 -0.04 -0.06 0.08 -0.03 -0.08 -0.05 0.02 0.01 -0.01 0.00 0.02 0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.02 0.02 0.01 0.01 0.01 -0.00 -0.16 -0.09 0.03 -0.00 0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.10 0.03 0.23 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.03 0.00 -0.06 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.04 0.03 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.00 0.01 0.01 0.02 0.27 0.50 -0.45 -0.26 0.30 -0.09 -0.00 0.00 0.01 0.00 0.00 -0.17 -0.20 0.29 -0.15 -0.26 -0.18 -0.02 -0.01 0.00 0.00 0.02 0.00 -0.00 -0.01 -0.00 0.05 -0.00 -0.04 -0.02 -0.02 -0.02 -0.01 -0.01 0.00 0.02 0.01 -0.01 0.00 -0.01 -0.03 0.01 -0.00 -0.01 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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 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 0.12 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.06 -0.07 -0.04 0.03 0.09 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.12 0.02 0.13 -0.13 -0.09 -0.06 -0.00 -0.00 -0.00 0.12 0.04 -0.03 0.02 -0.06 -0.02 0.03 0.02 -0.02 0.01 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.03 0.02 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.40 0.18 0.03 0.36 0.03 -0.22 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.41 0.02 -0.30 0.43 0.22 0.07 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.02 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.10 -0.07 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 0.00 -0.09 0.03 0.08 0.08 0.00 0.00 0.00 0.00 -0.00 -0.00 0.06 0.10 0.09 0.11 0.02 -0.10 -0.01 -0.00 0.00 -0.08 -0.06 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.03 -0.01 0.02 0.04 -0.04 0.05 -0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.00 -0.36 -0.19 0.15 -0.33 -0.37 -0.17 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.28 -0.32 -0.16 -0.37 -0.18 0.17 0.01 0.01 0.01 -0.09 -0.08 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.02 0.01 0.03 0.00 -0.00 -0.00 -0.09 -0.06 -0.01 -0.09 -0.04 -0.09 -0.15 -0.08 -0.04 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 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.01 0.00 -0.01 0.24 0.13 0.06 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.18 0.09 0.18 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.11 0.11 -0.07 0.17 0.11 0.09 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.03 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.02 -0.01 -0.03 -0.01 0.01 -0.46 -0.23 -0.25 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.29 -0.10 -0.53 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.02 -0.04 0.02 0.18 0.31 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.12 -0.14 -0.16 0.09 -0.08 -0.21 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.07 0.09 0.21 0.12 0.15 0.17 -0.00 -0.00 -0.00 -0.03 -0.19 -0.31 0.01 -0.01 0.02 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.28 -0.02 0.11 0.11 -0.02 -0.03 0.02 0.01 -0.01 -0.01 -0.00 0.00 0.30 0.08 -0.06 -0.31 -0.08 0.08 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.27 0.09 -0.04 -0.29 -0.08 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 -0.01 0.02 0.04 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.08 -0.10 -0.26 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.13 0.01 0.17 0.03 0.13 0.16 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.13 -0.18 0.11 -0.03 -0.18 0.00 0.00 0.00 -0.09 0.14 0.32 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.02 -0.00 0.01 0.04 -0.04 0.05 -0.02 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.28 0.19 -0.05 -0.26 -0.23 -0.04 -0.00 0.00 0.00 0.01 0.00 -0.01 0.22 0.13 -0.05 -0.17 -0.16 -0.04 -0.00 -0.00 0.00 0.13 -0.18 -0.43 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 0.01 -0.01 -0.24 -0.06 0.07 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.31 0.13 0.01 0.28 0.03 -0.16 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.24 -0.04 0.11 -0.24 -0.09 0.01 0.00 0.00 0.00 0.10 0.03 -0.02 -0.02 0.05 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.03 -0.00 -0.01 0.01 0.01 -0.01 0.00 0.00 0.00 -0.37 -0.24 -0.17 -0.31 0.05 0.31 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.15 -0.06 -0.22 0.17 0.15 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 0.01 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.16 -0.12 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.25 0.14 -0.09 0.21 0.21 0.06 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.19 -0.18 -0.05 -0.23 -0.14 0.07 0.00 0.00 0.00 0.11 0.08 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.01 0.02 -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 -0.31 -0.10 0.24 -0.21 -0.33 -0.25 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.13 0.22 0.19 0.24 0.05 -0.21 -0.00 -0.00 -0.00 0.13 0.09 -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 -0.08 -0.33 -0.49 -0.01 -0.05 -0.07 -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 0.11 0.45 0.65 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 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 -0.03 0.01 -0.03 0.01 -0.02 -0.01 0.00 0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 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 0.02 0.06 -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 0.08 0.04 -0.02 -0.01 -0.03 -0.03 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.17 -0.29 -0.35 -0.03 -0.42 0.76 -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 0.02 -0.02 -0.05 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.46 -0.18 0.08 0.19 0.39 0.54 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.17 -0.30 -0.34 0.01 0.09 -0.15 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 -0.00 -0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.02 -0.07 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.40 -0.16 0.07 0.09 0.18 0.24 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.25 0.44 0.50 -0.02 -0.23 0.38 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.07 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -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 -0.03 -0.28 -0.53 -0.01 -0.52 0.60 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 -0.01 -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 -0.07 -0.05 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.26 -0.13 0.16 0.36 0.51 0.00 0.01 0.01 0.00 0.01 -0.01 0.05 0.10 0.11 -0.00 -0.02 0.03 -0.00 -0.00 -0.00 0.01 -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 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.08 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.03 0.32 0.56 -0.01 -0.33 0.37 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.04 0.05 0.16 -0.01 -0.22 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.12 -0.01 -0.15 0.06 0.22 0.27 0.00 0.00 -0.01 -0.23 -0.17 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 -0.05 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 0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.03 0.01 0.03 0.03 0.00 -0.00 0.00 -0.04 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.21 0.38 -0.00 -0.21 0.24 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.09 -0.11 -0.08 0.00 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.01 0.32 -0.08 -0.30 -0.36 0.00 0.00 -0.00 0.42 0.32 -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 0.03 -0.03 -0.07 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.02 -0.38 0.31 0.82 0.01 0.01 0.01 -0.01 0.00 0.02 0.00 0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.14 -0.16 -0.17 -0.01 0.01 0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.05 -0.05 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.50 0.53 0.61 -0.01 0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.02 0.11 -0.09 -0.25 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 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 0.01 0.02 -0.02 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.00 -0.04 -0.01 -0.03 -0.04 -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 -0.01 -0.01 -0.00 -0.06 -0.10 0.00 0.05 -0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.18 -0.22 0.22 -0.01 -0.30 0.02 -0.01 -0.03 -0.01 -0.01 -0.01 -0.40 0.02 0.51 0.10 0.34 0.42 -0.00 -0.00 0.00 0.12 0.09 -0.01 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.03 -0.03 0.00 0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.04 -0.07 0.00 0.03 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.06 0.26 0.31 0.34 -0.01 -0.46 0.00 -0.00 -0.01 0.00 0.00 0.00 0.20 -0.01 -0.26 -0.00 0.01 0.02 -0.00 -0.00 0.00 0.49 0.37 -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 -0.01 -0.03 -0.04 0.03 0.00 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.03 -0.03 0.00 -0.00 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.03 0.06 -0.00 -0.02 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.09 0.34 0.41 -0.36 0.01 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.09 0.09 0.30 0.37 0.00 0.00 -0.00 0.21 0.16 -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 -0.01 -0.04 -0.04 -0.01 0.00 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.00 -0.04 0.00 0.02 0.02 -0.00 -0.00 -0.00 0.03 0.02 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.11 0.41 0.49 0.15 -0.00 -0.20 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.31 0.02 0.39 -0.05 -0.19 -0.24 -0.00 -0.00 0.00 -0.32 -0.24 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 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.03 -0.03 0.03 -0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.05 0.04 0.11 0.12 0.13 0.14 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.27 0.30 0.32 -0.33 0.25 0.70 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 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 0.01 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 -0.04 -0.04 -0.04 -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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.10 0.08 0.21 -0.09 -0.10 -0.11 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.42 0.47 0.50 0.20 -0.15 -0.44 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.06 -0.04 0.05 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.67 0.46 -0.58 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 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 -0.08 -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 -0.01 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 -0.26 -0.28 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.01 -0.01 17 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 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 17 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 14.00307 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 336.11417 0.99999 0.00447 -0.00191 -0.00447 0.99999 -6.4E-4 0.00191 6.5E-4 1.0 asymmetric 1 0.02479 0.00629 0.00583 0.51655 0.13101 0.12143 850446.2 33.03 51.38 57.11 86.15 92.18 114.48 117.21 138.34 179.06 190.94 204.43 242.22 301.72 350.18 389.76 401.02 428.11 486.20 532.53 541.05 557.43 589.31 598.47 604.40 659.24 682.63 755.94 775.52 872.31 910.28 920.41 928.58 929.52 956.39 986.58 1000.98 1024.06 1040.78 1066.35 1117.30 1134.40 1178.66 1200.90 1233.54 1257.49 1263.64 1281.86 1309.77 1311.83 1350.13 1377.89 1403.04 1419.62 1434.15 1436.15 1456.36 1461.77 1470.42 1476.35 1483.40 1515.83 1547.56 1567.34 1571.59 1612.49 1621.08 1638.33 1700.41 1701.57 1730.62 1736.88 1759.69 1762.80 1775.01 1798.26 1852.01 1860.08 1896.67 1902.69 1915.14 1932.70 1972.17 1980.71 2003.40 2007.97 2013.65 2063.54 2108.20 2122.13 2127.22 2133.98 2139.38 2181.36 2198.33 2212.44 2320.64 2332.08 2343.14 2357.49 3320.18 4365.06 4414.26 4429.89 4468.70 4485.03 4557.79 4560.05 4567.18 4567.93 4571.20 4584.38 4594.15 4601.62 4603.91 4605.69 4692.40 4709.41 0.323918 0.344341 0.345285 0.272852 -1413.453956 -1413.433532 -1413.432588 -1413.505021 216.077 79.034 152.448 0.000 0.000 0.000 0.889 2.981 43.332 0.889 2.981 34.924 214.300 73.073 74.192 1 0.593 1.985 6.361 2 0.594 1.982 5.484 3 0.594 1.981 5.274 4 0.597 1.973 4.461 5 0.597 1.971 4.328 6 0.600 1.963 3.902 7 0.600 1.962 3.855 8 0.603 1.952 3.531 9 0.610 1.929 3.030 10 0.613 1.921 2.906 11 0.616 1.911 2.776 12 0.625 1.881 2.454 13 0.642 1.826 2.046 14 0.659 1.774 1.778 15 0.675 1.727 1.590 16 0.679 1.713 1.542 17 0.691 1.678 1.431 18 0.718 1.600 1.222 19 0.742 1.534 1.079 20 0.747 1.521 1.055 21 0.756 1.497 1.010 22 0.774 1.449 0.928 23 0.779 1.436 0.906 24 0.783 1.427 0.892 25 0.816 1.343 0.771 26 0.831 1.307 0.725 27 0.880 1.194 0.598 28 0.894 1.164 0.567 29 0.965 1.018 0.439 0.308007e+24 23.488561 54.084409 0.132825e+09 8.123281 18.704546 0.100000e+01 0.000000 0.000000 0.242206e+09 8.384184 19.305297 0.957404e+07 6.981095 16.074566 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1413.7778735 6.634E-9 5.817E-6 0.3239179 0.344341 -1413.4335325 -1413.4325883 -1413.5050213 -22.8229371,9.6993795,13.1235576,-3.9358431,-0.4349214,-1.313038 C01 [X(C19H17Cl1N4)] 0.7780767 2.162506 0.442801 -0.9817389 -0.0453367 0.401844 -0.0604842 -0.1539765 0.0000808 0.434113 -0.0040402 -0.3252446 -0.9489295 -0.2491874 0.1675843 -0.2456727 -0.2557847 0.1099125 0.3130833 0.2009067 -0.0757221 -0.3690248 -0.103594 -0.1588149 -0.1630995 -0.4295543 -0.1359743 -0.5122172 -0.2392314 -0.3570744 -0.9015908 -0.1560029 0.1245209 -0.1980877 -0.512909 -0.038536 0.2623759 -0.0512445 -0.7769087 -0.479466 -0.0638139 -0.0181689 -0.0797392 -0.6250275 -0.0914754 -0.0291601 -0.0863103 -0.4565273 0.1589221 0.0006448 0.0442139 0.0903925 0.167992 -0.0212825 0.1113703 0.0337294 0.1292822 -0.0744782 -0.0844626 0.1205543 -0.1418929 0.0134195 -0.0141033 0.1092863 -0.0168983 0.2791185 1.0132078 -0.0137381 -0.2037186 0.0360697 0.2493366 -0.076703 -0.2193394 -0.1250496 0.1725663 0.1687577 0.2035454 -0.175672 0.2297318 0.0464425 -0.1272508 -0.2390089 -0.1694151 0.0287221 0.1460235 0.0462841 0.0118813 0.1585659 0.1770005 -0.0581445 0.0304252 0.0409302 0.0821428 0.3267516 -0.0330202 -0.1467473 -0.0248289 -0.1268823 0.0591691 -0.1818762 0.0240588 -0.0253154 0.1433744 0.1125326 0.0492796 0.1267047 0.4622519 0.1832367 0.0447832 0.1680854 0.14064 -0.2047479 -0.0212455 0.0329759 -0.0199722 0.0120183 0.0688823 0.0125651 0.040951 -0.1771788 -0.1709031 -0.0322971 -0.0366121 -0.0473283 -0.1419083 0.0969717 -0.0479174 0.1365291 -0.044539 -0.126274 0.0003689 -0.044139 -0.0430281 0.0570888 0.1176268 -0.0316699 0.0699383 -0.097831 -0.1007798 0.1059877 -0.0074944 0.1206357 -0.0228955 0.0624646 0.0205366 0.1203694 -0.1014047 -0.0316752 -0.041117 -0.126019 0.0072196 -0.0247703 0.0665572 -0.0752171 0.0988808 -0.0500837 -0.0703402 0.1012706 -0.039351 0.0571951 0.0230969 0.0970946 -0.0643366 0.0770529 -0.1125065 0.8996483 0.3111102 -0.1053873 0.4421572 0.2845054 -0.0522422 -0.0179034 -0.0240747 0.1592762 -0.0265967 0.0616307 -0.0850083 0.063896 -0.0711196 0.0418225 -0.0838428 0.0359282 -0.0968843 -0.2686628 0.070368 0.0983211 0.0558295 -0.0420592 0.0166346 0.0870127 0.0014586 -0.1871788 -0.2945027 -0.0206153 0.0252866 -0.0268158 -0.0844404 0.0661942 0.0424551 0.0894383 -0.11973 0.1944734 0.1842533 0.0512015 0.1184765 0.1984945 0.2443944 0.0121979 0.245344 0.6167613 1.2229533 0.0956464 -0.6027465 0.1035974 0.0782486 0.0506794 -0.6450647 0.0351586 0.3270888 -0.0860184 -0.002387 0.091118 -0.0125598 0.0703425 0.0310416 0.0903983 0.0708443 -0.0034295 0.0756114 -0.052624 -0.0610199 -0.0256636 -0.0973219 -0.0309893 -0.0864498 -0.0579646 0.0354597 0.0174344 0.0250368 0.0306478 -0.0540645 0.0074422 -0.0349296 -0.0016607 -0.0732167 0.0941025 -0.0313893 0.0120031 -0.0313394 -0.0110486 0.1057159 0.0223672 0.0199384 0.0603019 -0.0313624 -0.0402563 -0.0482715 0.0057623 -0.0928962 -0.126379 -0.0218475 -0.0275469 -0.084449 0.0838655 -0.0486703 0.0276126 -0.0111619 0.011973 0.0965143 0.0176673 0.0437597 0.0190415 -0.1871748 0.1379114 -0.0496026 0.0103123 -0.0600581 -0.0308289 -0.0626061 0.0108129 -0.0548322 0.1421684 0.0804972 0.0296589 0.1082583 0.0310305 0.1137033 -0.0755949 0.116971 -0.0846961 0.0308073 0.0870317 0.0391328 0.0716898 0.0360044 0.012682 -0.1131566 0.0587642 -0.1044256 0.0818632 0.01393 -0.125702 0.0066691 -0.1032893 0.0181276 -0.0567656 0.003142 -0.0591075 0.1431096 0.063598 0.030172 0.1201303 0.0376349 0.0687064 -0.1018739 0.1174575 -0.090929 0.0348058 0.1111767 -0.0884658 0.0152478 -0.083609 -0.0725724 -0.0843408 0.0137817 -0.0904079 0.1252224 0.1426807 -0.0325389 0.0238473 -0.0203577 0.1888777 -0.0220513 0.0507292 -0.0137153 0.102024 -0.0128046 -0.1053438 0.1118797 -0.1016781 0.0813898 0.0203556 0.1087725 0.0225509 0.1123468 0.0547303 -0.1002846 0.0014898 -0.0969522 0.0512076 -0.0399649 0.0197258 -0.0321197 0.1618701 0.1087397 0.038776 0.063681 0.0240619 0.0664045 -0.0937747 0.0720151 -0.1075876 0.0951697 0.1013957 -0.0263839 0.0650038 -0.0380496 0.1674204 -0.0195464 0.0567381 -0.0217828 0.0476826 404.5240936|46.1602286|350.1003564|-64.1509352|43.2349447|324.2610305 -0.000005338 -0.000001888 0.000004009 0.000000362 0.000010581 0.000001996 0.000016763 -0.000019314 -0.000001215 0.000007856 -0.000020015 0.000013366 0.000000906 -0.000001686 0.000009009 -0.000006262 -0.000002407 -0.000003830 -0.000000887 -0.000004112 0.000004233 0.000000488 0.000000535 -0.000005055 -0.000005293 0.000003585 0.000000450 -0.000004328 0.000009622 -0.000002546 0.000000733 -0.000000970 0.000002473 0.000007227 -0.000002134 0.000002918 0.000002094 -0.000001489 -0.000001563 0.000006972 -0.000002256 -0.000004136 0.000003541 0.000003221 -0.000002430 0.000002048 0.000002336 0.000003693 -0.000000372 -0.000007925 -0.000001040 -0.000003616 -0.000003207 -0.000002453 -0.000000362 0.000000525 0.000002451 -0.000000786 -0.000002223 -0.000008246 -0.000002035 0.000003935 -0.000000245 -0.000001630 -0.000000469 0.000004653 -0.000020489 0.000029333 -0.000010628 0.000005408 0.000000237 -0.000001369 -0.000001449 0.000004907 -0.000001989 0.000002512 0.000002542 0.000001321 -0.000001316 -0.000000350 0.000000846 0.000001243 0.000002291 -0.000000725 0.000000241 0.000001533 0.000004757 0.000001848 0.000003776 0.000003380 -0.000001354 -0.000005870 0.000001578 0.000000284 0.000003884 -0.000007282 -0.000000387 0.000004354 -0.000002801 -0.000000874 0.000000061 0.000004903 -0.000000874 -0.000005677 -0.000001255 -0.000000836 -0.000001802 -0.000007363 -0.000002875 -0.000001993 0.000003325 -0.000000027 -0.000005345 -0.000005507 0.000000057 0.000002221 -0.000003642 -0.000000579 -0.000001015 0.000003768 0.000001388 0.000002667 0.000002191 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 13-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C19H17ClN4)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/fenbuconazole/water/CONF5/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction fenbuconazole CONF5 water 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 35 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2119.5401532957 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0535049355 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 9.307769 0.000000 9.995311 1.364412 0.000000 11.085953 2.194305 2.261905 0.000000 7.326310 3.558847 4.529673 4.354229 0.000000 6.757328 2.551009 3.376168 4.474307 2.621133 0.000000 6.822997 3.112455 3.316350 4.841386 3.443487 1.563234 0.000000 8.143416 1.454947 2.473213 3.608189 3.420754 1.569551 2.574824 0.000000 5.711992 3.834191 4.718116 5.859422 3.503377 1.541962 2.581775 2.499156 0.000000 6.066961 4.426119 4.601130 5.848413 3.590534 2.641162 1.540385 3.976883 3.331043 0.000000 4.557325 5.469461 5.857202 7.066595 4.064349 3.177748 2.582575 4.694514 3.162965 1.511799 0.000000 6.937175 2.895661 3.872600 4.236953 1.154547 1.467228 2.461818 2.447094 2.478279 2.934144 3.453828 0.000000 4.958947 4.844971 5.875438 6.676141 3.506911 2.577111 3.666800 3.600801 1.396146 3.988323 3.412323 2.822725 0.000000 5.906396 4.421631 5.097850 6.591196 4.857390 2.533205 3.131699 3.011048 1.400549 4.022349 3.795968 3.774549 2.406276 0.000000 4.023417 6.124149 6.456674 7.946035 5.216967 3.777227 3.177775 5.146278 3.319744 2.532217 1.399808 4.440302 3.644113 3.434830 0.000000 4.025888 6.153954 6.722913 7.576582 3.889140 3.838244 3.643774 5.406991 3.708999 2.529783 1.396827 3.625497 3.428679 4.596130 2.401703 0.000000 4.339905 6.081772 7.094604 7.982240 4.846989 3.856332 4.817152 4.740596 2.424930 5.056842 4.185352 4.217089 1.394970 2.780385 4.025267 4.117116 0.000000 5.406694 5.745338 6.461500 7.906242 5.896624 3.825559 4.424920 4.304712 2.426535 5.087882 4.510152 4.903833 2.781330 1.392361 3.845883 5.136367 2.406594 0.000000 10.032791 1.345510 2.211323 1.325781 3.446827 3.430469 4.142107 2.517503 4.699607 5.235603 6.272769 3.206535 5.451331 5.490247 7.100949 6.731230 6.728826 6.754890 0.000000 4.599370 6.468654 7.351757 8.532067 5.899220 4.351045 5.132627 5.032520 2.809738 5.534547 4.681683 5.088367 2.418216 2.417337 4.123063 4.930558 1.392833 1.394894 7.302590 0.000000 2.732522 7.245801 7.705135 9.117207 6.022980 4.773589 4.460934 6.137907 3.948066 3.816937 2.432457 5.334709 3.861999 3.960201 1.391082 2.786178 3.779438 3.890450 8.176431 3.797287 0.000000 2.732967 7.278853 7.938540 8.800908 4.912681 4.830282 4.813224 6.368306 4.292095 3.819211 2.434184 4.679069 3.666210 5.017726 2.788206 1.394946 3.885987 5.187900 7.861912 4.676301 2.426607 0.000000 11.003508 2.095900 1.320572 1.362853 4.867356 4.369183 4.357958 3.501118 5.792965 5.447765 6.781052 4.496060 6.823406 6.318704 7.535730 7.513294 8.105355 7.681086 2.099326 8.487065 8.796891 8.784100 0.000000 1.770233 7.739607 8.347847 9.479474 5.869866 5.203992 5.120152 6.665071 4.370149 4.298040 2.787514 5.411785 3.850442 4.712545 2.394800 2.393663 3.688858 4.590909 8.494995 4.092995 1.391939 1.388245 9.336671 0.000000 7.867562 2.648272 2.503599 4.082284 3.632732 2.166757 1.090460 2.650597 3.482904 2.137771 3.482779 2.804101 4.588540 4.009338 4.165707 4.477084 5.805967 5.360266 3.635461 6.134563 5.493012 5.740641 3.443379 6.141513 0.000000 6.800509 3.593748 3.641608 5.491906 4.438462 2.149591 1.091361 2.862936 2.684320 2.176942 2.893734 3.376391 3.926056 2.703665 2.986165 4.151072 4.857984 3.938740 4.799895 4.869970 4.252375 5.151398 4.839628 5.166922 1.753048 0.000000 8.323249 2.063299 2.595510 4.215134 4.431770 2.177172 2.758567 1.087225 2.761548 4.273757 4.961411 3.382428 4.045867 2.736676 5.148832 5.871951 4.996633 4.005754 3.305029 4.987345 6.147702 6.778485 3.811787 6.873219 2.851438 2.621602 0.000000 8.294077 2.062337 3.286304 3.926048 3.548945 2.182872 3.510392 1.089211 2.645118 4.796389 5.309368 2.733058 3.453319 3.198630 5.735022 5.836355 4.485749 4.285794 2.675776 4.838106 6.556124 6.654476 4.121501 6.955739 3.691816 3.795473 1.771123 0.000000 6.512564 4.437296 4.670114 5.515548 3.010013 2.942373 2.163418 4.235657 3.851482 1.092972 2.136782 2.687454 4.314943 4.788633 3.418100 2.594452 5.497862 5.880150 4.986924 6.187210 4.569000 3.987934 5.285210 4.772512 2.423443 3.066873 4.753051 4.988057 0.000000 6.550666 5.001416 4.887232 6.309302 4.573637 3.535640 2.128216 4.691001 4.235994 1.094840 2.141195 3.945504 4.990705 4.692766 2.825590 3.247032 5.971909 5.730247 5.874278 6.301087 4.156345 4.458647 5.711416 4.801096 2.415968 2.437810 4.820593 5.614956 1.752511 0.000000 5.170021 4.917353 6.013169 6.487429 2.798783 2.796183 3.916852 3.893469 2.156188 4.031025 3.523316 2.447919 1.082760 3.394354 4.101082 3.190361 2.140644 3.863873 5.288670 3.391060 4.346524 3.499658 6.798200 4.051992 4.732740 4.433328 4.567412 3.711737 4.079797 5.104097 0.000000 6.718389 4.143058 4.571871 6.329822 5.293665 2.723420 2.972920 2.861369 2.161545 4.090990 4.166345 4.149184 3.394742 1.083290 3.764748 5.189085 3.863397 2.137863 5.359755 3.390556 4.502170 5.764544 5.861219 5.442317 3.673591 2.273352 2.233299 3.278311 4.934776 4.571032 4.301257 0.000000 4.870502 5.972866 6.132760 7.861213 5.711586 3.862504 3.038430 5.016951 3.504243 2.734813 2.153950 4.802329 4.164040 3.272752 1.084314 3.387707 4.551799 3.762586 7.084498 4.378715 2.138393 3.872427 7.287253 3.375008 3.939932 2.503411 4.806232 5.708651 3.782347 2.762056 4.768140 3.299907 0.000000 4.874207 6.025777 6.622780 7.178975 3.319183 3.966796 3.860271 5.483097 4.141358 2.730581 2.150405 3.363496 3.821375 5.229749 3.387663 1.084345 4.694458 5.902555 6.405981 5.675507 3.870380 2.141985 7.244626 3.373621 4.507976 4.594271 6.108400 5.887237 2.337033 3.493128 3.295762 5.800771 4.288891 0.000000 4.083403 6.922726 7.996441 8.702085 5.247263 4.721658 5.702370 5.644606 3.401049 5.768689 4.773266 4.823224 2.146444 3.864302 4.690495 4.400571 1.084025 3.392858 7.436937 2.153146 4.222805 3.902043 8.935543 3.786093 6.682811 5.836048 5.996537 5.307304 6.090392 6.708557 2.452426 4.947280 5.358403 4.897844 0.000000 5.939547 6.388918 6.973696 8.576887 6.904181 4.677848 5.106655 4.981925 3.403836 5.821272 5.279495 5.869524 3.865423 2.144899 4.419386 6.020362 3.392432 1.084138 7.478116 2.154742 4.404731 6.029626 8.239793 5.264250 5.984083 4.433904 4.475992 5.001772 6.700967 6.325985 4.947984 2.449897 4.129499 6.847094 4.294377 0.000000 9.890900 2.131244 3.237947 2.152427 3.150211 3.614634 4.628405 2.834973 4.681688 5.619532 6.469753 3.117225 5.184199 5.602151 7.332065 6.735887 6.419974 6.755861 1.078241 7.119475 8.281656 7.761452 3.156626 8.452366 4.321890 5.338338 3.763757 2.607403 5.305138 6.396640 4.898987 5.661681 7.444046 6.357114 7.013740 7.554365 0.000000 4.565999 7.521537 8.399919 9.586932 6.907475 5.434909 6.174539 6.077836 3.893727 6.505713 5.537166 6.142613 3.401748 3.400450 4.842142 5.703013 2.154004 2.155638 8.345976 1.084040 4.254512 5.227933 9.546164 4.469576 7.187883 5.854368 5.981574 5.831988 7.175331 7.227468 4.284974 4.283757 5.096587 6.493727 2.486130 2.487355 8.128473 0.000000 2.868806 7.896281 8.310550 9.863432 6.974833 5.484624 5.164303 6.716130 4.521687 4.685576 3.414326 6.210297 4.502484 4.209311 2.155451 3.868697 4.166937 3.860093 8.909504 3.833254 1.082556 3.405297 9.471647 2.154050 6.189958 4.755391 6.575866 7.111914 5.530126 4.911694 5.138676 4.673936 2.469746 4.952839 4.619390 4.122369 9.041011 4.074680 0.000000 2.873553 7.947689 8.688473 9.338140 5.207857 5.570073 5.695029 7.084052 5.045500 4.686752 3.415168 5.188342 4.202335 5.875943 3.870894 2.158669 4.337848 5.980278 8.390803 5.281568 3.406925 1.082703 9.447944 2.152259 6.573545 6.129095 7.593232 7.270322 4.664050 5.358598 3.825416 6.692342 4.955085 2.473258 4.090907 6.857568 8.180661 5.741732 4.297981 0.000000 11.814214 3.136347 2.099036 2.153968 5.786463 5.296984 5.058354 4.490553 6.734356 6.051709 7.465993 5.450036 7.808143 7.187311 8.205718 8.253893 9.088333 8.557067 3.140833 9.426093 9.517709 9.565780 1.078854 10.112009 4.046366 5.471637 4.672617 5.162716 5.882601 6.145390 7.793053 6.639602 7.886695 7.975038 9.936900 9.056590 4.169483 10.482588 10.174654 10.251409 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5165524 0.1310072 0.1214328 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= 638 RedAO= T EigKep= 1.13D-06 NBF= 638 NBsUse= 635 1.00D-06 EigRej= 9.23D-07 NBFU= 635 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= 649 649 649 649 649 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1413.77787348331 -1413.77787348325 0.000000000061 -1413.77787348 2 1.408485591145e+03 -7.546411777318e+03 2.604653411922e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830260911 LenY= 2829822005 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. PT961.700S Tue Jul 13 17:37:59 2021 GINC-CIBELES04 PAULAPLA 13-Jul-2021 0 Wavefunction fenbuconazoleCONF5 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1413.7778735 RMSD=4.541e-09 Dipole=0.7780766,2.1625059,0.4428009 Quadrupole=-22.822932,9.699377,13.123555,-3.9358409,-0.4349214,-1.313039 PG=C01 [X(C19H17Cl1N4)] 0 5.2774576443 -0.8889074902 -0.629295924 0 -3.8579722772 0.6875040715 0.2034219258 0 -4.3361433565 0.8671394264 1.4686112923 0 -5.7624144557 -0.401268309 0.2548957447 0 -1.9457313085 -2.0376136563 -1.0545362467 0 -1.3469044226 0.2800944649 0.0131586882 0 -1.1192851988 0.0645064507 1.5446325792 0 -2.5775092965 1.2225330259 -0.2336465396 0 -0.1345150499 0.9373359537 -0.6766185447 0 -0.2099251298 -1.1112493768 1.9489216695 0 1.1828275345 -1.0914923809 1.3612262391 0 -1.6585044121 -1.01550571 -0.6009121361 0 0.5837540219 0.3057992888 -1.6937096755 0 0.2653448673 2.2143574264 -0.2632607569 0 2.0561439645 -0.0292546188 1.6228194075 0 1.614381349 -2.1108743879 0.5093187365 0 1.6926810937 0.924802104 -2.2708218444 0 1.3656069218 2.8370157528 -0.8466890855 0 -4.7210766988 -0.0712647403 -0.4963757611 0 2.0885276994 2.1922961894 -1.8504084477 0 3.3114405249 0.0373123063 1.0270763135 0 2.8718526661 -2.0698874501 -0.0931430438 0 -5.4740695773 0.1974643043 1.4447463612 0 3.6986408166 -0.9851220008 0.1655663377 0 -2.0906955042 -0.0970199473 2.0130075526 0 -0.7278010415 1.0031791008 1.9404886031 0 -2.4128060489 2.157192433 0.2967703971 0 -2.6574079578 1.4305795379 -1.2998138324 0 -0.6978797371 -2.0528523901 1.684590054 0 -0.1441993079 -1.0920155849 3.0416181838 0 0.3039626374 -0.6858287478 -2.0265148488 0 -0.2657359333 2.7255821032 0.530540468 0 1.7422460813 0.7754848599 2.2782571023 0 0.9523463394 -2.9406719992 0.2880753021 0 2.2497398375 0.4070779353 -3.0433226737 0 1.663151163 3.8227984588 -0.5074905403 0 -4.557301679 -0.3406090925 -1.5275087524 0 2.9535567579 2.6710387129 -2.2950128007 0 3.9706238119 0.8745439827 1.217991464 0 3.1889270877 -2.8579353905 -0.7644779731 0 -6.1190863099 0.1441894793 2.3079034975 Gaussian 16 13-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C19H17ClN4)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/fenbuconazole/water/CONF5/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 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 fenbuconazole CONF5 water 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 35 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 662 A 638 A 638 1017 662 88 88 2119.5401532957 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0535049355 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 9.307769 0.000000 9.995311 1.364412 0.000000 11.085953 2.194305 2.261905 0.000000 7.326310 3.558847 4.529673 4.354229 0.000000 6.757328 2.551009 3.376168 4.474307 2.621133 0.000000 6.822997 3.112455 3.316350 4.841386 3.443487 1.563234 0.000000 8.143416 1.454947 2.473213 3.608189 3.420754 1.569551 2.574824 0.000000 5.711992 3.834191 4.718116 5.859422 3.503377 1.541962 2.581775 2.499156 0.000000 6.066961 4.426119 4.601130 5.848413 3.590534 2.641162 1.540385 3.976883 3.331043 0.000000 4.557325 5.469461 5.857202 7.066595 4.064349 3.177748 2.582575 4.694514 3.162965 1.511799 0.000000 6.937175 2.895661 3.872600 4.236953 1.154547 1.467228 2.461818 2.447094 2.478279 2.934144 3.453828 0.000000 4.958947 4.844971 5.875438 6.676141 3.506911 2.577111 3.666800 3.600801 1.396146 3.988323 3.412323 2.822725 0.000000 5.906396 4.421631 5.097850 6.591196 4.857390 2.533205 3.131699 3.011048 1.400549 4.022349 3.795968 3.774549 2.406276 0.000000 4.023417 6.124149 6.456674 7.946035 5.216967 3.777227 3.177775 5.146278 3.319744 2.532217 1.399808 4.440302 3.644113 3.434830 0.000000 4.025888 6.153954 6.722913 7.576582 3.889140 3.838244 3.643774 5.406991 3.708999 2.529783 1.396827 3.625497 3.428679 4.596130 2.401703 0.000000 4.339905 6.081772 7.094604 7.982240 4.846989 3.856332 4.817152 4.740596 2.424930 5.056842 4.185352 4.217089 1.394970 2.780385 4.025267 4.117116 0.000000 5.406694 5.745338 6.461500 7.906242 5.896624 3.825559 4.424920 4.304712 2.426535 5.087882 4.510152 4.903833 2.781330 1.392361 3.845883 5.136367 2.406594 0.000000 10.032791 1.345510 2.211323 1.325781 3.446827 3.430469 4.142107 2.517503 4.699607 5.235603 6.272769 3.206535 5.451331 5.490247 7.100949 6.731230 6.728826 6.754890 0.000000 4.599370 6.468654 7.351757 8.532067 5.899220 4.351045 5.132627 5.032520 2.809738 5.534547 4.681683 5.088367 2.418216 2.417337 4.123063 4.930558 1.392833 1.394894 7.302590 0.000000 2.732522 7.245801 7.705135 9.117207 6.022980 4.773589 4.460934 6.137907 3.948066 3.816937 2.432457 5.334709 3.861999 3.960201 1.391082 2.786178 3.779438 3.890450 8.176431 3.797287 0.000000 2.732967 7.278853 7.938540 8.800908 4.912681 4.830282 4.813224 6.368306 4.292095 3.819211 2.434184 4.679069 3.666210 5.017726 2.788206 1.394946 3.885987 5.187900 7.861912 4.676301 2.426607 0.000000 11.003508 2.095900 1.320572 1.362853 4.867356 4.369183 4.357958 3.501118 5.792965 5.447765 6.781052 4.496060 6.823406 6.318704 7.535730 7.513294 8.105355 7.681086 2.099326 8.487065 8.796891 8.784100 0.000000 1.770233 7.739607 8.347847 9.479474 5.869866 5.203992 5.120152 6.665071 4.370149 4.298040 2.787514 5.411785 3.850442 4.712545 2.394800 2.393663 3.688858 4.590909 8.494995 4.092995 1.391939 1.388245 9.336671 0.000000 7.867562 2.648272 2.503599 4.082284 3.632732 2.166757 1.090460 2.650597 3.482904 2.137771 3.482779 2.804101 4.588540 4.009338 4.165707 4.477084 5.805967 5.360266 3.635461 6.134563 5.493012 5.740641 3.443379 6.141513 0.000000 6.800509 3.593748 3.641608 5.491906 4.438462 2.149591 1.091361 2.862936 2.684320 2.176942 2.893734 3.376391 3.926056 2.703665 2.986165 4.151072 4.857984 3.938740 4.799895 4.869970 4.252375 5.151398 4.839628 5.166922 1.753048 0.000000 8.323249 2.063299 2.595510 4.215134 4.431770 2.177172 2.758567 1.087225 2.761548 4.273757 4.961411 3.382428 4.045867 2.736676 5.148832 5.871951 4.996633 4.005754 3.305029 4.987345 6.147702 6.778485 3.811787 6.873219 2.851438 2.621602 0.000000 8.294077 2.062337 3.286304 3.926048 3.548945 2.182872 3.510392 1.089211 2.645118 4.796389 5.309368 2.733058 3.453319 3.198630 5.735022 5.836355 4.485749 4.285794 2.675776 4.838106 6.556124 6.654476 4.121501 6.955739 3.691816 3.795473 1.771123 0.000000 6.512564 4.437296 4.670114 5.515548 3.010013 2.942373 2.163418 4.235657 3.851482 1.092972 2.136782 2.687454 4.314943 4.788633 3.418100 2.594452 5.497862 5.880150 4.986924 6.187210 4.569000 3.987934 5.285210 4.772512 2.423443 3.066873 4.753051 4.988057 0.000000 6.550666 5.001416 4.887232 6.309302 4.573637 3.535640 2.128216 4.691001 4.235994 1.094840 2.141195 3.945504 4.990705 4.692766 2.825590 3.247032 5.971909 5.730247 5.874278 6.301087 4.156345 4.458647 5.711416 4.801096 2.415968 2.437810 4.820593 5.614956 1.752511 0.000000 5.170021 4.917353 6.013169 6.487429 2.798783 2.796183 3.916852 3.893469 2.156188 4.031025 3.523316 2.447919 1.082760 3.394354 4.101082 3.190361 2.140644 3.863873 5.288670 3.391060 4.346524 3.499658 6.798200 4.051992 4.732740 4.433328 4.567412 3.711737 4.079797 5.104097 0.000000 6.718389 4.143058 4.571871 6.329822 5.293665 2.723420 2.972920 2.861369 2.161545 4.090990 4.166345 4.149184 3.394742 1.083290 3.764748 5.189085 3.863397 2.137863 5.359755 3.390556 4.502170 5.764544 5.861219 5.442317 3.673591 2.273352 2.233299 3.278311 4.934776 4.571032 4.301257 0.000000 4.870502 5.972866 6.132760 7.861213 5.711586 3.862504 3.038430 5.016951 3.504243 2.734813 2.153950 4.802329 4.164040 3.272752 1.084314 3.387707 4.551799 3.762586 7.084498 4.378715 2.138393 3.872427 7.287253 3.375008 3.939932 2.503411 4.806232 5.708651 3.782347 2.762056 4.768140 3.299907 0.000000 4.874207 6.025777 6.622780 7.178975 3.319183 3.966796 3.860271 5.483097 4.141358 2.730581 2.150405 3.363496 3.821375 5.229749 3.387663 1.084345 4.694458 5.902555 6.405981 5.675507 3.870380 2.141985 7.244626 3.373621 4.507976 4.594271 6.108400 5.887237 2.337033 3.493128 3.295762 5.800771 4.288891 0.000000 4.083403 6.922726 7.996441 8.702085 5.247263 4.721658 5.702370 5.644606 3.401049 5.768689 4.773266 4.823224 2.146444 3.864302 4.690495 4.400571 1.084025 3.392858 7.436937 2.153146 4.222805 3.902043 8.935543 3.786093 6.682811 5.836048 5.996537 5.307304 6.090392 6.708557 2.452426 4.947280 5.358403 4.897844 0.000000 5.939547 6.388918 6.973696 8.576887 6.904181 4.677848 5.106655 4.981925 3.403836 5.821272 5.279495 5.869524 3.865423 2.144899 4.419386 6.020362 3.392432 1.084138 7.478116 2.154742 4.404731 6.029626 8.239793 5.264250 5.984083 4.433904 4.475992 5.001772 6.700967 6.325985 4.947984 2.449897 4.129499 6.847094 4.294377 0.000000 9.890900 2.131244 3.237947 2.152427 3.150211 3.614634 4.628405 2.834973 4.681688 5.619532 6.469753 3.117225 5.184199 5.602151 7.332065 6.735887 6.419974 6.755861 1.078241 7.119475 8.281656 7.761452 3.156626 8.452366 4.321890 5.338338 3.763757 2.607403 5.305138 6.396640 4.898987 5.661681 7.444046 6.357114 7.013740 7.554365 0.000000 4.565999 7.521537 8.399919 9.586932 6.907475 5.434909 6.174539 6.077836 3.893727 6.505713 5.537166 6.142613 3.401748 3.400450 4.842142 5.703013 2.154004 2.155638 8.345976 1.084040 4.254512 5.227933 9.546164 4.469576 7.187883 5.854368 5.981574 5.831988 7.175331 7.227468 4.284974 4.283757 5.096587 6.493727 2.486130 2.487355 8.128473 0.000000 2.868806 7.896281 8.310550 9.863432 6.974833 5.484624 5.164303 6.716130 4.521687 4.685576 3.414326 6.210297 4.502484 4.209311 2.155451 3.868697 4.166937 3.860093 8.909504 3.833254 1.082556 3.405297 9.471647 2.154050 6.189958 4.755391 6.575866 7.111914 5.530126 4.911694 5.138676 4.673936 2.469746 4.952839 4.619390 4.122369 9.041011 4.074680 0.000000 2.873553 7.947689 8.688473 9.338140 5.207857 5.570073 5.695029 7.084052 5.045500 4.686752 3.415168 5.188342 4.202335 5.875943 3.870894 2.158669 4.337848 5.980278 8.390803 5.281568 3.406925 1.082703 9.447944 2.152259 6.573545 6.129095 7.593232 7.270322 4.664050 5.358598 3.825416 6.692342 4.955085 2.473258 4.090907 6.857568 8.180661 5.741732 4.297981 0.000000 11.814214 3.136347 2.099036 2.153968 5.786463 5.296984 5.058354 4.490553 6.734356 6.051709 7.465993 5.450036 7.808143 7.187311 8.205718 8.253893 9.088333 8.557067 3.140833 9.426093 9.517709 9.565780 1.078854 10.112009 4.046366 5.471637 4.672617 5.162716 5.882601 6.145390 7.793053 6.639602 7.886695 7.975038 9.936900 9.056590 4.169483 10.482588 10.174654 10.251409 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5165524 0.1310072 0.1214328 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= 638 RedAO= T EigKep= 1.13D-06 NBF= 638 NBsUse= 635 1.00D-06 EigRej= 9.23D-07 NBFU= 635 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= 649 649 649 649 649 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1413.77787348331 -1413.77787348342 -0.000000000113 -1413.77787348 2 1.408485591145e+03 -7.546411777318e+03 2.604653411922e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830260911 LenY= 2829822005 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.8354 256.41 0.0019 0.000 87 89 0.17626 87 90 -0.15441 88 89 0.54681 88 90 0.33705 -1413.60017578 2 Singlet-A 5.0826 243.94 0.0224 0.000 87 89 0.21340 88 89 -0.38599 88 90 0.51846 88 92 -0.11366 3 Singlet-A 5.1987 238.49 0.0126 0.000 85 89 -0.20003 85 90 0.16184 86 89 0.13246 86 90 0.17511 87 89 -0.11348 87 91 0.20681 87 93 0.14752 88 89 -0.11773 88 90 0.10980 88 91 0.27217 88 92 0.42595 4 Singlet-A 5.4195 228.78 0.0428 0.000 85 89 0.10869 86 89 -0.26518 87 89 0.12626 87 90 -0.15638 88 90 -0.15046 88 91 0.55175 88 93 0.13931 5 Singlet-A 5.4508 227.46 0.0172 0.000 86 90 -0.15871 86 92 0.15652 87 89 0.48013 87 90 -0.11651 88 90 -0.21314 88 91 -0.14540 88 92 0.33489 6 Singlet-A 5.6134 220.87 0.0669 0.000 85 90 0.13860 86 89 0.35505 86 90 0.25703 87 89 0.30904 87 90 0.22987 87 91 0.10315 88 92 -0.29081 7 Singlet-A 5.6170 220.73 0.0024 0.000 86 89 -0.25021 86 90 -0.13674 86 91 -0.12435 86 92 -0.10289 87 89 0.10826 87 90 0.55270 88 89 0.10181 88 92 0.14898 8 Singlet-A 5.6479 219.52 0.0109 0.000 86 89 -0.11153 86 90 0.14718 88 91 -0.22587 88 93 0.62400 9 Singlet-A 5.7195 216.78 0.0021 0.000 86 90 -0.15924 88 94 0.49943 88 95 -0.24069 88 96 -0.29839 88 98 0.15013 10 Singlet-A 5.7958 213.92 0.0741 0.000 85 89 -0.17419 85 90 -0.12813 86 89 -0.35274 86 90 0.35605 86 91 -0.14687 87 89 0.10916 87 91 0.18890 87 92 0.14579 88 93 -0.20922 88 95 -0.10242 PT38172.200S Tue Jul 13 18:17:51 2021 GINC-CIBELES04 PAULAPLA 13-Jul-2021 0 Electronic spectrum fenbuconazole CONF5 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1413.7778735 RMSD=4.500e-09 PG=C01 [X(C19H17Cl1N4)] 0 5.2774576443 -0.8889074902 -0.629295924 0 -3.8579722772 0.6875040715 0.2034219258 0 -4.3361433565 0.8671394264 1.4686112923 0 -5.7624144557 -0.401268309 0.2548957447 0 -1.9457313085 -2.0376136563 -1.0545362467 0 -1.3469044226 0.2800944649 0.0131586882 0 -1.1192851988 0.0645064507 1.5446325792 0 -2.5775092965 1.2225330259 -0.2336465396 0 -0.1345150499 0.9373359537 -0.6766185447 0 -0.2099251298 -1.1112493768 1.9489216695 0 1.1828275345 -1.0914923809 1.3612262391 0 -1.6585044121 -1.01550571 -0.6009121361 0 0.5837540219 0.3057992888 -1.6937096755 0 0.2653448673 2.2143574264 -0.2632607569 0 2.0561439645 -0.0292546188 1.6228194075 0 1.614381349 -2.1108743879 0.5093187365 0 1.6926810937 0.924802104 -2.2708218444 0 1.3656069218 2.8370157528 -0.8466890855 0 -4.7210766988 -0.0712647403 -0.4963757611 0 2.0885276994 2.1922961894 -1.8504084477 0 3.3114405249 0.0373123063 1.0270763135 0 2.8718526661 -2.0698874501 -0.0931430438 0 -5.4740695773 0.1974643043 1.4447463612 0 3.6986408166 -0.9851220008 0.1655663377 0 -2.0906955042 -0.0970199473 2.0130075526 0 -0.7278010415 1.0031791008 1.9404886031 0 -2.4128060489 2.157192433 0.2967703971 0 -2.6574079578 1.4305795379 -1.2998138324 0 -0.6978797371 -2.0528523901 1.684590054 0 -0.1441993079 -1.0920155849 3.0416181838 0 0.3039626374 -0.6858287478 -2.0265148488 0 -0.2657359333 2.7255821032 0.530540468 0 1.7422460813 0.7754848599 2.2782571023 0 0.9523463394 -2.9406719992 0.2880753021 0 2.2497398375 0.4070779353 -3.0433226737 0 1.663151163 3.8227984588 -0.5074905403 0 -4.557301679 -0.3406090925 -1.5275087524 0 2.9535567579 2.6710387129 -2.2950128007 0 3.9706238119 0.8745439827 1.217991464 0 3.1889270877 -2.8579353905 -0.7644779731 0 -6.1190863099 0.1441894793 2.3079034975 Gaussian 16 13-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C19H17ClN4)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/fenbuconazole/water/CONF5/opt #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 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=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point fenbuconazole CONF5 water 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 35 14 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 14.0030740 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 2 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 4.5500000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1241 A 1097 A 1097 1596 1241 88 88 2119.5401532957 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0535049355 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 9.307769 0.000000 9.995311 1.364412 0.000000 11.085953 2.194305 2.261905 0.000000 7.326310 3.558847 4.529673 4.354229 0.000000 6.757328 2.551009 3.376168 4.474307 2.621133 0.000000 6.822997 3.112455 3.316350 4.841386 3.443487 1.563234 0.000000 8.143416 1.454947 2.473213 3.608189 3.420754 1.569551 2.574824 0.000000 5.711992 3.834191 4.718116 5.859422 3.503377 1.541962 2.581775 2.499156 0.000000 6.066961 4.426119 4.601130 5.848413 3.590534 2.641162 1.540385 3.976883 3.331043 0.000000 4.557325 5.469461 5.857202 7.066595 4.064349 3.177748 2.582575 4.694514 3.162965 1.511799 0.000000 6.937175 2.895661 3.872600 4.236953 1.154547 1.467228 2.461818 2.447094 2.478279 2.934144 3.453828 0.000000 4.958947 4.844971 5.875438 6.676141 3.506911 2.577111 3.666800 3.600801 1.396146 3.988323 3.412323 2.822725 0.000000 5.906396 4.421631 5.097850 6.591196 4.857390 2.533205 3.131699 3.011048 1.400549 4.022349 3.795968 3.774549 2.406276 0.000000 4.023417 6.124149 6.456674 7.946035 5.216967 3.777227 3.177775 5.146278 3.319744 2.532217 1.399808 4.440302 3.644113 3.434830 0.000000 4.025888 6.153954 6.722913 7.576582 3.889140 3.838244 3.643774 5.406991 3.708999 2.529783 1.396827 3.625497 3.428679 4.596130 2.401703 0.000000 4.339905 6.081772 7.094604 7.982240 4.846989 3.856332 4.817152 4.740596 2.424930 5.056842 4.185352 4.217089 1.394970 2.780385 4.025267 4.117116 0.000000 5.406694 5.745338 6.461500 7.906242 5.896624 3.825559 4.424920 4.304712 2.426535 5.087882 4.510152 4.903833 2.781330 1.392361 3.845883 5.136367 2.406594 0.000000 10.032791 1.345510 2.211323 1.325781 3.446827 3.430469 4.142107 2.517503 4.699607 5.235603 6.272769 3.206535 5.451331 5.490247 7.100949 6.731230 6.728826 6.754890 0.000000 4.599370 6.468654 7.351757 8.532067 5.899220 4.351045 5.132627 5.032520 2.809738 5.534547 4.681683 5.088367 2.418216 2.417337 4.123063 4.930558 1.392833 1.394894 7.302590 0.000000 2.732522 7.245801 7.705135 9.117207 6.022980 4.773589 4.460934 6.137907 3.948066 3.816937 2.432457 5.334709 3.861999 3.960201 1.391082 2.786178 3.779438 3.890450 8.176431 3.797287 0.000000 2.732967 7.278853 7.938540 8.800908 4.912681 4.830282 4.813224 6.368306 4.292095 3.819211 2.434184 4.679069 3.666210 5.017726 2.788206 1.394946 3.885987 5.187900 7.861912 4.676301 2.426607 0.000000 11.003508 2.095900 1.320572 1.362853 4.867356 4.369183 4.357958 3.501118 5.792965 5.447765 6.781052 4.496060 6.823406 6.318704 7.535730 7.513294 8.105355 7.681086 2.099326 8.487065 8.796891 8.784100 0.000000 1.770233 7.739607 8.347847 9.479474 5.869866 5.203992 5.120152 6.665071 4.370149 4.298040 2.787514 5.411785 3.850442 4.712545 2.394800 2.393663 3.688858 4.590909 8.494995 4.092995 1.391939 1.388245 9.336671 0.000000 7.867562 2.648272 2.503599 4.082284 3.632732 2.166757 1.090460 2.650597 3.482904 2.137771 3.482779 2.804101 4.588540 4.009338 4.165707 4.477084 5.805967 5.360266 3.635461 6.134563 5.493012 5.740641 3.443379 6.141513 0.000000 6.800509 3.593748 3.641608 5.491906 4.438462 2.149591 1.091361 2.862936 2.684320 2.176942 2.893734 3.376391 3.926056 2.703665 2.986165 4.151072 4.857984 3.938740 4.799895 4.869970 4.252375 5.151398 4.839628 5.166922 1.753048 0.000000 8.323249 2.063299 2.595510 4.215134 4.431770 2.177172 2.758567 1.087225 2.761548 4.273757 4.961411 3.382428 4.045867 2.736676 5.148832 5.871951 4.996633 4.005754 3.305029 4.987345 6.147702 6.778485 3.811787 6.873219 2.851438 2.621602 0.000000 8.294077 2.062337 3.286304 3.926048 3.548945 2.182872 3.510392 1.089211 2.645118 4.796389 5.309368 2.733058 3.453319 3.198630 5.735022 5.836355 4.485749 4.285794 2.675776 4.838106 6.556124 6.654476 4.121501 6.955739 3.691816 3.795473 1.771123 0.000000 6.512564 4.437296 4.670114 5.515548 3.010013 2.942373 2.163418 4.235657 3.851482 1.092972 2.136782 2.687454 4.314943 4.788633 3.418100 2.594452 5.497862 5.880150 4.986924 6.187210 4.569000 3.987934 5.285210 4.772512 2.423443 3.066873 4.753051 4.988057 0.000000 6.550666 5.001416 4.887232 6.309302 4.573637 3.535640 2.128216 4.691001 4.235994 1.094840 2.141195 3.945504 4.990705 4.692766 2.825590 3.247032 5.971909 5.730247 5.874278 6.301087 4.156345 4.458647 5.711416 4.801096 2.415968 2.437810 4.820593 5.614956 1.752511 0.000000 5.170021 4.917353 6.013169 6.487429 2.798783 2.796183 3.916852 3.893469 2.156188 4.031025 3.523316 2.447919 1.082760 3.394354 4.101082 3.190361 2.140644 3.863873 5.288670 3.391060 4.346524 3.499658 6.798200 4.051992 4.732740 4.433328 4.567412 3.711737 4.079797 5.104097 0.000000 6.718389 4.143058 4.571871 6.329822 5.293665 2.723420 2.972920 2.861369 2.161545 4.090990 4.166345 4.149184 3.394742 1.083290 3.764748 5.189085 3.863397 2.137863 5.359755 3.390556 4.502170 5.764544 5.861219 5.442317 3.673591 2.273352 2.233299 3.278311 4.934776 4.571032 4.301257 0.000000 4.870502 5.972866 6.132760 7.861213 5.711586 3.862504 3.038430 5.016951 3.504243 2.734813 2.153950 4.802329 4.164040 3.272752 1.084314 3.387707 4.551799 3.762586 7.084498 4.378715 2.138393 3.872427 7.287253 3.375008 3.939932 2.503411 4.806232 5.708651 3.782347 2.762056 4.768140 3.299907 0.000000 4.874207 6.025777 6.622780 7.178975 3.319183 3.966796 3.860271 5.483097 4.141358 2.730581 2.150405 3.363496 3.821375 5.229749 3.387663 1.084345 4.694458 5.902555 6.405981 5.675507 3.870380 2.141985 7.244626 3.373621 4.507976 4.594271 6.108400 5.887237 2.337033 3.493128 3.295762 5.800771 4.288891 0.000000 4.083403 6.922726 7.996441 8.702085 5.247263 4.721658 5.702370 5.644606 3.401049 5.768689 4.773266 4.823224 2.146444 3.864302 4.690495 4.400571 1.084025 3.392858 7.436937 2.153146 4.222805 3.902043 8.935543 3.786093 6.682811 5.836048 5.996537 5.307304 6.090392 6.708557 2.452426 4.947280 5.358403 4.897844 0.000000 5.939547 6.388918 6.973696 8.576887 6.904181 4.677848 5.106655 4.981925 3.403836 5.821272 5.279495 5.869524 3.865423 2.144899 4.419386 6.020362 3.392432 1.084138 7.478116 2.154742 4.404731 6.029626 8.239793 5.264250 5.984083 4.433904 4.475992 5.001772 6.700967 6.325985 4.947984 2.449897 4.129499 6.847094 4.294377 0.000000 9.890900 2.131244 3.237947 2.152427 3.150211 3.614634 4.628405 2.834973 4.681688 5.619532 6.469753 3.117225 5.184199 5.602151 7.332065 6.735887 6.419974 6.755861 1.078241 7.119475 8.281656 7.761452 3.156626 8.452366 4.321890 5.338338 3.763757 2.607403 5.305138 6.396640 4.898987 5.661681 7.444046 6.357114 7.013740 7.554365 0.000000 4.565999 7.521537 8.399919 9.586932 6.907475 5.434909 6.174539 6.077836 3.893727 6.505713 5.537166 6.142613 3.401748 3.400450 4.842142 5.703013 2.154004 2.155638 8.345976 1.084040 4.254512 5.227933 9.546164 4.469576 7.187883 5.854368 5.981574 5.831988 7.175331 7.227468 4.284974 4.283757 5.096587 6.493727 2.486130 2.487355 8.128473 0.000000 2.868806 7.896281 8.310550 9.863432 6.974833 5.484624 5.164303 6.716130 4.521687 4.685576 3.414326 6.210297 4.502484 4.209311 2.155451 3.868697 4.166937 3.860093 8.909504 3.833254 1.082556 3.405297 9.471647 2.154050 6.189958 4.755391 6.575866 7.111914 5.530126 4.911694 5.138676 4.673936 2.469746 4.952839 4.619390 4.122369 9.041011 4.074680 0.000000 2.873553 7.947689 8.688473 9.338140 5.207857 5.570073 5.695029 7.084052 5.045500 4.686752 3.415168 5.188342 4.202335 5.875943 3.870894 2.158669 4.337848 5.980278 8.390803 5.281568 3.406925 1.082703 9.447944 2.152259 6.573545 6.129095 7.593232 7.270322 4.664050 5.358598 3.825416 6.692342 4.955085 2.473258 4.090907 6.857568 8.180661 5.741732 4.297981 0.000000 11.814214 3.136347 2.099036 2.153968 5.786463 5.296984 5.058354 4.490553 6.734356 6.051709 7.465993 5.450036 7.808143 7.187311 8.205718 8.253893 9.088333 8.557067 3.140833 9.426093 9.517709 9.565780 1.078854 10.112009 4.046366 5.471637 4.672617 5.162716 5.882601 6.145390 7.793053 6.639602 7.886695 7.975038 9.936900 9.056590 4.169483 10.482588 10.174654 10.251409 0.000000 C19H17ClN4 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 0 319.6830999999998 AuxInfo=1/0/N:20,17,18,13,14,15,16,21,22,10,7,12,8,23,19,11,9,24,6,1,5,4,3,2/E:(2,3)(4,5)(6,7)(8,9)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,12.2,14.3,15.3,16.3,17.3,18.3,21.1,22.2,23.2/rA:41ClNN2N2N1CCCC3CC3C2C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;s2;;;;s6;s2s6;s6;s7;s10;s5s6;s9;s9;s11;s11;s13;s14;s2s4;s17s18;s15;s16;s3s4;s1s21s22;s7;s7;s8;s8;s10;s10;s13;s14;s15;s16;s17;s18;s19;s20;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.5165524 0.1310072 0.1214328 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= 1097 RedAO= T EigKep= 1.06D-06 NBF= 1097 NBsUse= 1092 1.00D-06 EigRej= 9.67D-07 NBFU= 1092 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= 1215 1215 1215 1215 1215 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1413.78269783163 -1413.84667731091 -0.063979479286 -1413.84666325928 0.000014051629 -1413.84696757886 -0.000304319576 -1413.84700429243 -0.000036713573 -1413.84700929897 -0.000005006538 -1413.84701018928 -0.000000890313 -1413.84701023916 -0.000000049873 -1413.84701024596 -0.000000006800 -1413.84701024671 -0.000000000755 -1413.84701024686 -0.000000000148 -1413.84701024669 0.000000000170 -1413.84701025 12 1.408171376712e+03 -7.546491900483e+03 2.604978612757e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2828043951 LenY= 2826502629 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. PT28002.800S Tue Jul 13 18:47:05 2021 GINC-CIBELES04 PAULAPLA 13-Jul-2021 0 Single Point fenbuconazole CONF5water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1413.8470102 RMSD=4.675e-09 Dipole=0.7662662,2.1602983,0.4570769 Quadrupole=-22.5784491,9.5243331,13.054116,-4.0515051,-0.2837182,-1.4385233 PG=C01 [X(C19H17Cl1N4)] 0 5.2774576443 -0.8889074902 -0.629295924 0 -3.8579722772 0.6875040715 0.2034219258 0 -4.3361433565 0.8671394264 1.4686112923 0 -5.7624144557 -0.401268309 0.2548957447 0 -1.9457313085 -2.0376136563 -1.0545362467 0 -1.3469044226 0.2800944649 0.0131586882 0 -1.1192851988 0.0645064507 1.5446325792 0 -2.5775092965 1.2225330259 -0.2336465396 0 -0.1345150499 0.9373359537 -0.6766185447 0 -0.2099251298 -1.1112493768 1.9489216695 0 1.1828275345 -1.0914923809 1.3612262391 0 -1.6585044121 -1.01550571 -0.6009121361 0 0.5837540219 0.3057992888 -1.6937096755 0 0.2653448673 2.2143574264 -0.2632607569 0 2.0561439645 -0.0292546188 1.6228194075 0 1.614381349 -2.1108743879 0.5093187365 0 1.6926810937 0.924802104 -2.2708218444 0 1.3656069218 2.8370157528 -0.8466890855 0 -4.7210766988 -0.0712647403 -0.4963757611 0 2.0885276994 2.1922961894 -1.8504084477 0 3.3114405249 0.0373123063 1.0270763135 0 2.8718526661 -2.0698874501 -0.0931430438 0 -5.4740695773 0.1974643043 1.4447463612 0 3.6986408166 -0.9851220008 0.1655663377 0 -2.0906955042 -0.0970199473 2.0130075526 0 -0.7278010415 1.0031791008 1.9404886031 0 -2.4128060489 2.157192433 0.2967703971 0 -2.6574079578 1.4305795379 -1.2998138324 0 -0.6978797371 -2.0528523901 1.684590054 0 -0.1441993079 -1.0920155849 3.0416181838 0 0.3039626374 -0.6858287478 -2.0265148488 0 -0.2657359333 2.7255821032 0.530540468 0 1.7422460813 0.7754848599 2.2782571023 0 0.9523463394 -2.9406719992 0.2880753021 0 2.2497398375 0.4070779353 -3.0433226737 0 1.663151163 3.8227984588 -0.5074905403 0 -4.557301679 -0.3406090925 -1.5275087524 0 2.9535567579 2.6710387129 -2.2950128007 0 3.9706238119 0.8745439827 1.217991464 0 3.1889270877 -2.8579353905 -0.7644779731 0 -6.1190863099 0.1441894793 2.3079034975