Gaussian 16 GINC-BELVIS4 PAULAPLA Optimization triflumizole_E CONF265 gas EM64L-G16RevC.01 10-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 38 38 89 89 604 (5D, 7F) 6-311+G(d,p) 108 108 C1[X(C15H15ClF3N3O)] C1[X(C15H15ClF3N3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 330.62820959999976 0 1 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2941280/Gau-12790.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2941280/" chk=/home/paulapla/almacen/ADAMA/censo_results/triflumizole_E/gas/CONF265/opt-b #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization triflumizole_E CONF265 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 35 19 19 19 16 14 14 14 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 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 1 1 0 2 2 2 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 -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 1 2 3 4 5 5 6 6 6 7 7 8 8 9 10 10 11 11 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 21 21 23 22 20 20 20 10 11 9 17 19 9 12 19 23 10 24 25 13 26 27 14 15 18 28 29 16 20 21 30 22 31 23 32 33 34 35 36 22 37 38 1.7256 1.3409 1.3325 1.3358 1.4 1.4121 1.3903 1.3822 1.3735 1.2621 1.3862 1.2918 1.3717 1.5102 1.0952 1.0999 1.5216 1.1003 1.0922 1.3998 1.3935 1.5225 1.0933 1.0926 1.3862 1.5011 1.383 1.0819 1.385 1.0804 1.3553 1.0748 1.089 1.0911 1.0912 1.0777 1.3842 1.0813 1.078 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 10 9 9 17 9 19 6 6 7 5 5 5 9 9 24 5 5 5 13 13 26 7 7 14 11 11 11 18 18 28 12 12 16 12 12 21 14 14 22 6 6 23 13 13 13 33 33 34 6 6 8 2 2 2 3 3 4 15 15 22 1 1 16 8 8 17 5 6 6 6 7 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 11 17 19 19 12 23 7 10 10 9 24 25 24 25 25 13 26 27 26 27 27 14 15 15 18 28 29 28 29 29 16 20 20 21 30 30 22 31 31 23 32 32 33 34 35 34 35 35 8 36 36 3 4 14 4 14 14 22 37 37 16 21 21 17 38 38 113.9652 128.1314 125.5439 106.3246 122.379 105.8403 117.6939 116.4313 125.8528 107.889 112.5836 111.649 108.2654 109.5249 106.86 114.0197 110.4585 105.854 109.8317 109.4984 106.8667 120.3292 120.7843 118.7676 111.0738 110.7894 109.0763 109.3191 110.0999 106.3738 120.2993 119.298 120.3903 120.9471 119.0593 119.9904 119.8974 120.7066 119.396 105.2801 123.0632 131.5859 111.2009 111.4914 111.5289 107.468 107.3936 107.5416 111.7607 121.422 126.8009 107.2932 106.8607 111.2094 107.1722 112.1315 111.8801 119.575 120.1152 120.3098 119.5681 119.9237 120.5082 110.7911 121.5301 127.6782 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 11 11 11 10 10 10 17 17 19 19 9 9 19 19 9 9 17 17 12 12 9 9 23 23 19 19 6 6 6 7 7 7 5 5 5 26 26 26 27 27 27 7 7 15 15 7 7 14 14 11 11 11 28 28 28 29 29 29 12 12 20 20 12 12 12 16 16 16 12 12 30 30 14 14 31 31 6 6 32 32 15 15 37 37 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 21 21 21 21 10 10 10 11 11 11 9 9 9 9 17 17 17 17 19 19 19 19 9 9 12 12 19 19 23 23 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 18 18 18 18 18 18 18 18 18 16 16 16 16 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 22 22 22 22 9 24 25 13 26 27 7 10 7 10 23 32 23 32 8 36 8 36 6 10 14 15 6 36 17 38 5 24 25 5 24 25 18 28 29 18 28 29 18 28 29 16 20 16 20 21 30 21 30 33 34 35 33 34 35 33 34 35 22 31 22 31 2 3 4 2 3 4 22 37 22 37 1 21 1 21 8 38 8 38 1 16 1 16 -177.2651 -57.8624 62.3395 77.2643 -46.9767 -162.3091 -168.5504 13.0529 11.268 -167.1287 179.8948 2.6341 0.0488 -177.212 179.7383 1.1205 -0.4105 -179.0283 177.5888 -4.1826 116.4537 -67.5591 0.5853 179.1123 -0.5534 179.1912 -77.7093 160.1848 44.011 104.0422 -18.0636 -134.2374 178.351 -59.9453 56.8207 -57.0723 64.6315 -178.6025 59.9865 -178.3098 -61.5438 176.9294 -4.3446 0.8621 179.5881 -176.4562 2.8957 -0.4074 178.9445 -179.2265 -59.3091 60.9253 58.2152 178.1325 -61.6331 -58.297 61.6204 -178.1452 -0.7445 179.2101 -179.4565 0.4981 -57.9155 62.2199 -177.3294 120.8093 -119.0553 1.3954 -0.166 179.8429 -179.5119 0.497 -179.8301 0.1599 0.2147 -179.7953 0.3037 -179.4213 177.2341 -2.4908 -179.7154 0.2947 0.2757 -179.7142 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 627 A 604 A 965 627 2138.2890649393 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 604 RedAO= T EigKep= 1.24D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 6.69D-07 NBFU= 602 Berny optimization. local minimum Step number 12 out of a maximum of 199 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00193 0.00373 0.00553 0.00666 0.00758 0.01023 0.01623 0.01671 0.01781 0.01903 0.01917 0.02119 0.02187 0.02245 0.02261 0.02277 0.02280 0.02294 0.02295 0.02308 0.02440 0.02506 0.03010 0.03707 0.03843 0.04087 0.04925 0.04984 0.05544 0.05569 0.05648 0.06774 0.07454 0.08190 0.10694 0.11077 0.11632 0.11795 0.12079 0.14042 0.14090 0.15204 0.15954 0.15979 0.15995 0.16000 0.16003 0.16014 0.16023 0.16057 0.20946 0.22057 0.22189 0.22295 0.22626 0.23399 0.23699 0.24372 0.24687 0.24908 0.24986 0.24993 0.24999 0.25033 0.25185 0.25618 0.26239 0.28445 0.29814 0.30270 0.31139 0.32164 0.33277 0.33550 0.33627 0.34131 0.34490 0.34539 0.34652 0.34675 0.34919 0.35298 0.35753 0.35833 0.35899 0.36048 0.36273 0.36417 0.36768 0.41476 0.43168 0.43750 0.44249 0.44954 0.46017 0.46713 0.47585 0.48148 0.48460 0.49332 0.50858 0.51824 0.53961 0.56727 0.57976 0.59270 0.66555 0.85155 -6.38460734e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 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 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 3.31823 2.56926 2.55033 2.55488 2.68080 2.70718 2.64907 2.63729 2.62294 2.40146 2.63916 2.46136 2.62065 2.86654 2.06617 2.07713 2.88712 2.07906 2.06518 2.66040 2.64863 2.89439 2.06837 2.06820 2.63189 2.84888 2.62546 2.04651 2.62686 2.04250 2.57361 2.03174 2.06410 2.06799 2.06803 2.03646 2.62869 2.04576 2.03819 1.98887 2.22811 2.20104 1.85403 2.13716 1.84743 2.05987 2.02489 2.19772 1.88731 1.95308 1.93482 1.89016 1.91053 1.88724 1.97654 1.91627 1.83494 1.93097 1.92146 1.87904 2.10407 2.10873 2.06762 1.94847 1.92110 1.88971 1.91416 1.92624 1.86208 2.10531 2.08697 2.09056 2.11294 2.06963 2.10061 2.08755 2.09699 2.09864 1.84033 2.12648 2.31410 1.93824 1.94146 1.94270 1.87978 1.87873 1.88005 1.94899 2.11247 2.22145 1.86477 1.86041 1.94683 1.86554 1.96322 1.95676 2.08502 2.10218 2.09598 2.08508 2.09025 2.10785 1.93393 2.11764 2.23159 -3.05790 -0.97758 1.13085 1.38849 -0.77945 -2.79625 -2.92443 0.25497 0.21873 -2.88505 -3.14137 0.06419 -0.00110 -3.07872 3.13440 0.01676 -0.00591 -3.12354 3.09157 -0.09198 2.06703 -1.15559 0.01018 3.12597 -0.01095 3.12362 -1.33440 2.82909 0.77522 1.84841 -0.27129 -2.32516 3.09876 -1.05438 0.97494 -1.02451 1.10553 3.13485 1.05030 -3.10284 -1.07352 3.07614 -0.09347 0.01369 3.12727 -3.06867 0.07222 -0.00644 3.13444 -3.12746 -1.03400 1.06278 1.02170 3.11515 -1.07125 -1.02488 1.06857 -3.11783 -0.01317 3.12576 -3.12670 0.01224 -0.98888 1.10617 -3.07390 2.12494 -2.06319 0.03993 -0.00127 -3.14073 3.14104 0.00159 -3.13913 0.00523 0.00512 -3.13370 0.00732 -3.12668 3.07508 -0.05892 -3.13685 0.00196 0.00260 3.14142 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00001 0.00001 0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00003 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 -0.00002 -0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00003 0.00000 0.00002 -0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00002 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00001 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 0.00002 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00018 0.00020 0.00019 -0.00004 -0.00005 -0.00025 -0.00026 -0.00017 -0.00024 0.00001 -0.00006 0.00015 0.00017 -0.00002 -0.00001 -0.00007 -0.00006 0.00017 0.00019 0.00003 0.00001 -0.00002 -0.00001 0.00005 0.00005 0.00006 0.00004 0.00004 0.00005 0.00020 0.00020 0.00019 0.00018 0.00018 0.00017 0.00019 0.00019 0.00017 0.00001 -0.00000 -0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00000 0.00020 0.00019 0.00020 0.00022 0.00021 0.00021 0.00021 0.00020 0.00020 0.00000 0.00000 0.00001 0.00001 0.00002 0.00002 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00009 0.00008 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00002 -0.00002 0.00001 0.00003 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00000 -0.00000 0.00000 -0.00002 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 0.00002 0.00002 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00003 0.00000 0.00001 0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00002 0.00000 -0.00002 -0.00000 -0.00002 -0.00001 0.00002 0.00001 -0.00000 0.00001 -0.00002 0.00001 0.00001 0.00002 0.00001 -0.00002 -0.00000 -0.00001 -0.00002 0.00003 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00002 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 -0.00011 -0.00008 -0.00012 0.00001 -0.00000 0.00001 -0.00010 -0.00002 -0.00023 -0.00015 -0.00000 -0.00007 0.00011 0.00004 0.00008 0.00006 -0.00002 -0.00004 0.00001 -0.00008 0.00013 0.00010 -0.00007 -0.00005 0.00014 0.00006 -0.00005 -0.00006 -0.00005 0.00004 0.00003 0.00004 -0.00010 -0.00011 -0.00011 -0.00011 -0.00012 -0.00011 -0.00010 -0.00010 -0.00010 -0.00003 0.00000 -0.00001 0.00003 0.00002 0.00001 -0.00000 -0.00002 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00002 0.00001 0.00000 -0.00002 -0.00003 -0.00001 0.00001 0.00000 0.00003 0.00004 0.00003 0.00000 0.00001 0.00002 0.00002 -0.00000 -0.00001 0.00001 -0.00000 -0.00015 -0.00006 -0.00007 0.00002 -0.00001 0.00000 -0.00001 0.00000 0.00003 -0.00002 -0.00002 -0.00001 0.00001 0.00003 -0.00002 0.00001 -0.00001 0.00002 0.00001 -0.00003 0.00000 -0.00001 -0.00000 0.00000 -0.00002 -0.00001 0.00000 0.00002 0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00002 0.00002 -0.00001 -0.00001 0.00002 0.00001 0.00002 0.00000 -0.00002 0.00003 -0.00003 -0.00000 0.00003 -0.00001 -0.00002 -0.00003 -0.00001 0.00002 0.00002 0.00001 -0.00000 0.00000 -0.00002 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00003 0.00002 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00002 -0.00002 0.00001 0.00002 0.00001 -0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00002 -0.00002 0.00000 0.00001 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 0.00002 -0.00012 -0.00008 -0.00013 0.00019 0.00020 0.00020 -0.00014 -0.00007 -0.00048 -0.00041 -0.00017 -0.00031 0.00011 -0.00003 0.00024 0.00023 -0.00004 -0.00005 -0.00006 -0.00014 0.00030 0.00029 -0.00004 -0.00004 0.00012 0.00005 -0.00000 -0.00001 0.00001 0.00008 0.00007 0.00009 0.00010 0.00009 0.00008 0.00007 0.00007 0.00006 0.00009 0.00008 0.00007 -0.00003 -0.00000 -0.00002 0.00001 0.00002 -0.00001 0.00001 -0.00002 0.00020 0.00020 0.00020 0.00021 0.00020 0.00021 0.00022 0.00022 0.00022 0.00002 0.00001 -0.00001 -0.00002 0.00001 0.00002 0.00001 0.00004 0.00005 0.00004 0.00001 0.00001 0.00003 0.00003 0.00001 -0.00000 0.00001 0.00000 -0.00014 -0.00007 0.00002 0.00009 -0.00002 -0.00001 -0.00002 -0.00001 3.31826 2.56923 2.55031 2.55488 2.68081 2.70721 2.64905 2.63730 2.62294 2.40148 2.63917 2.46133 2.62066 2.86653 2.06617 2.07713 2.88711 2.07904 2.06518 2.66042 2.64863 2.89440 2.06837 2.06820 2.63191 2.84887 2.62547 2.04651 2.62685 2.04250 2.57360 2.03174 2.06410 2.06799 2.06802 2.03646 2.62867 2.04576 2.03819 1.98885 2.22813 2.20103 1.85402 2.13718 1.84743 2.05989 2.02490 2.19769 1.88734 1.95306 1.93482 1.89018 1.91053 1.88721 1.97651 1.91626 1.83496 1.93099 1.92147 1.87904 2.10407 2.10872 2.06763 1.94848 1.92109 1.88972 1.91416 1.92624 1.86207 2.10528 2.08700 2.09057 2.11294 2.06964 2.10060 2.08756 2.09699 2.09864 1.84034 2.12650 2.31408 1.93825 1.94148 1.94271 1.87977 1.87872 1.88004 1.94900 2.11248 2.22142 1.86478 1.86042 1.94684 1.86554 1.96321 1.95674 2.08501 2.10219 2.09599 2.08507 2.09024 2.10787 1.93393 2.11763 2.23161 -3.05801 -0.97766 1.13072 1.38869 -0.77925 -2.79605 -2.92457 0.25491 0.21825 -2.88546 -3.14155 0.06388 -0.00099 -3.07875 3.13463 0.01699 -0.00595 -3.12359 3.09151 -0.09212 2.06732 -1.15530 0.01014 3.12593 -0.01083 3.12367 -1.33440 2.82908 0.77523 1.84849 -0.27122 -2.32507 3.09886 -1.05429 0.97502 -1.02444 1.10560 3.13491 1.05039 -3.10275 -1.07345 3.07611 -0.09347 0.01368 3.12728 -3.06865 0.07221 -0.00644 3.13442 -3.12725 -1.03381 1.06299 1.02191 3.11535 -1.07104 -1.02466 1.06878 -3.11761 -0.01316 3.12577 -3.12671 0.01222 -0.98887 1.10620 -3.07388 2.12498 -2.06314 0.03997 -0.00127 -3.14072 3.14107 0.00162 -3.13913 0.00522 0.00513 -3.13370 0.00718 -3.12675 3.07510 -0.05882 -3.13687 0.00196 0.00259 3.14141 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000015 0.000004 0.000694 0.000215 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -7.510689e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 1 2 3 4 5 5 6 6 6 7 7 8 8 9 10 10 11 11 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 21 21 23 22 20 20 20 10 11 9 17 19 9 12 19 23 10 24 25 13 26 27 14 15 18 28 29 16 20 21 30 22 31 23 32 33 34 35 36 22 37 38 1.7559 1.3596 1.3496 1.352 1.4186 1.4326 1.4018 1.3956 1.388 1.2708 1.3966 1.3025 1.3868 1.5169 1.0934 1.0992 1.5278 1.1002 1.0928 1.4078 1.4016 1.5316 1.0945 1.0944 1.3927 1.5076 1.3893 1.083 1.3901 1.0808 1.3619 1.0751 1.0923 1.0943 1.0944 1.0776 1.391 1.0826 1.0786 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 9 9 17 9 19 6 6 7 5 5 5 9 9 24 5 5 5 13 13 26 7 7 14 11 11 11 18 18 28 12 12 16 12 12 21 14 14 22 6 6 23 13 13 13 33 33 34 6 6 8 2 2 2 3 3 4 15 15 22 1 1 16 8 8 17 5 6 6 6 7 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 11 17 19 19 12 23 7 10 10 9 24 25 24 25 25 13 26 27 26 27 27 14 15 15 18 28 29 28 29 29 16 20 20 21 30 30 22 31 31 23 32 32 33 34 35 34 35 35 8 36 36 3 4 14 4 14 14 22 37 37 16 21 21 17 38 38 113.9541 127.6614 126.1103 106.2282 122.4503 105.8497 118.0221 116.0179 125.9199 108.135 111.9034 110.857 108.2979 109.4656 108.1307 113.2476 109.7944 105.1344 110.6366 110.0915 107.6611 120.5544 120.8216 118.4658 111.6389 110.0707 108.2725 109.6735 110.3656 106.6892 120.6253 119.5749 119.7805 121.0626 118.5813 120.356 119.608 120.1484 120.2435 105.4433 121.8383 132.5879 111.0532 111.2376 111.3085 107.7037 107.6433 107.719 111.6687 121.0353 127.2795 106.8435 106.5937 111.5454 106.8874 112.484 112.1143 119.463 120.4462 120.0906 119.4664 119.7626 120.7708 110.8063 121.3318 127.8605 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 11 11 11 10 10 10 17 17 19 19 9 9 19 19 9 9 17 17 12 12 9 9 23 23 19 19 6 6 6 7 7 7 5 5 5 26 26 26 27 27 27 7 7 15 15 7 7 14 14 11 11 11 28 28 28 29 29 29 12 12 20 20 12 12 12 16 16 16 12 12 30 30 14 14 31 31 6 6 32 32 15 15 37 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 21 21 21 10 10 10 11 11 11 9 9 9 9 17 17 17 17 19 19 19 19 9 9 12 12 19 19 23 23 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 18 18 18 18 18 18 18 18 18 16 16 16 16 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 22 22 22 9 24 25 13 26 27 7 10 7 10 23 32 23 32 8 36 8 36 6 10 14 15 6 36 17 38 5 24 25 5 24 25 18 28 29 18 28 29 18 28 29 16 20 16 20 21 30 21 30 33 34 35 33 34 35 33 34 35 22 31 22 31 2 3 4 2 3 4 22 37 22 37 1 21 1 21 8 38 8 38 1 16 1 -175.2047 -56.0112 64.7929 79.5549 -44.6591 -160.2134 -167.5573 14.6089 12.5323 -165.3014 -179.9875 3.6778 -0.0629 -176.3976 179.5877 0.9605 -0.3384 -178.9656 177.1339 -5.2701 118.4319 -66.2105 0.5832 179.1048 -0.6274 178.9704 -76.4554 162.0947 44.4165 105.9061 -15.5439 -133.222 177.5458 -60.4116 55.8598 -58.7004 63.3422 179.6136 60.1779 -177.7795 -61.5081 176.2497 -5.3552 0.7845 179.1796 -175.8217 4.1378 -0.3691 179.5904 -179.19 -59.2441 60.8931 58.539 178.485 -61.3779 -58.7215 61.2244 -178.6384 -0.7547 179.093 -179.1465 0.7012 -56.6586 63.3789 -176.1212 121.7502 -118.2122 2.2876 -0.073 -179.9503 179.9682 0.0909 -179.8591 0.2995 0.2934 -179.548 0.4194 -179.1454 176.1891 -3.3757 -179.7285 0.1124 0.1492 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0405770453 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.042897 0.000000 6.037853 2.153060 0.000000 5.154294 2.149706 2.147291 0.000000 6.971510 5.112572 6.021928 6.730642 0.000000 8.034390 4.031582 4.440503 5.870953 3.027823 0.000000 5.893241 2.877859 2.889364 4.160815 3.265296 2.270798 0.000000 9.937629 5.414698 5.366336 7.140738 5.066820 2.207039 4.046231 0.000000 6.688497 3.282425 3.869721 4.992256 2.353631 1.390268 1.262057 3.537307 0.000000 6.579970 3.776312 4.924700 5.525222 1.399966 2.466335 2.471085 4.642723 1.510225 0.000000 7.248153 5.992073 7.151291 7.554321 1.412079 4.337168 4.530453 6.324831 3.657376 2.357922 0.000000 4.508429 2.926971 2.972407 3.640513 3.617003 3.576396 1.386178 5.432395 2.321203 2.890739 4.628498 0.000000 6.195842 6.167420 7.318393 7.385031 2.461365 5.364846 4.927942 7.488215 4.373926 3.089437 1.521574 4.578841 0.000000 3.984238 2.346846 2.352877 2.352069 4.805735 4.556375 2.416737 6.252920 3.377857 3.860722 5.676394 1.399809 5.450519 0.000000 3.981484 4.233271 4.274485 4.755075 3.443004 4.320137 2.416762 6.265196 3.049118 3.223007 4.249226 1.393537 3.916378 2.403950 0.000000 2.693462 3.427251 3.420603 2.700706 5.620795 5.855939 3.682253 7.617291 4.595922 4.820826 6.272455 2.416387 5.711361 1.386192 2.769987 0.000000 9.140792 5.137025 5.770835 7.107711 3.147207 1.382212 3.580909 2.244558 2.493282 2.940951 4.236110 4.799449 5.538365 5.820904 5.368516 7.077507 0.000000 7.064587 7.436042 8.737925 8.619236 3.786114 6.725295 6.428554 8.794249 5.816675 4.437968 2.509787 6.047307 1.522472 6.810308 5.350423 6.929117 6.722008 0.000000 8.664788 4.317156 4.202556 5.972675 4.354002 1.373532 2.783937 1.291825 2.457561 3.769608 5.694502 4.166705 6.681565 4.972666 5.067867 6.333228 2.205529 8.073799 0.000000 5.194812 1.340864 1.332488 1.335783 5.554544 4.573168 2.838190 5.928130 3.693485 4.373795 6.500609 2.503877 6.491690 1.501130 3.777884 2.506048 5.843591 7.828366 4.718991 0.000000 2.697579 4.918506 4.942435 4.939302 4.516311 5.674561 3.682978 7.625770 4.362084 4.332357 5.024718 2.415945 4.281416 2.778721 1.382996 2.404379 6.711383 5.510626 6.406872 4.279794 0.000000 1.725596 4.586964 4.592551 4.085542 5.495890 6.319791 4.167774 8.212752 4.987641 5.012937 5.985740 2.782842 5.188640 2.398710 2.391349 1.385033 7.455955 6.325274 6.941497 3.777631 1.384241 0.000000 10.202997 5.839946 6.201884 7.761002 4.465544 2.175927 4.408042 1.371678 3.537407 4.244210 5.560333 5.743156 6.881156 6.691193 6.415203 8.015576 1.355281 8.055229 2.125477 6.519455 7.786330 8.489989 0.000000 5.656724 3.406351 4.704953 4.915082 2.082516 3.343635 2.612863 5.526652 2.125304 1.095164 2.651613 2.497807 2.815624 3.231575 2.777895 3.994734 3.993391 4.157820 4.527181 3.902787 3.645219 4.165222 5.260005 0.000000 7.406086 3.901804 5.352738 5.858023 2.075070 2.646050 3.232575 4.602031 2.144990 1.099928 2.673292 3.782829 3.592763 4.552154 4.272924 5.547438 2.767859 4.710035 3.925007 4.782933 5.326151 5.877747 4.034470 1.762945 0.000000 7.844072 5.997918 7.416535 7.702843 2.071387 4.520077 4.976651 6.421534 3.973925 2.548385 1.100265 5.166070 2.159096 6.073407 5.011207 6.719326 4.244021 2.730509 5.889945 6.706706 5.784432 6.588226 5.548832 2.856831 2.390925 0.000000 8.011186 6.972473 7.999646 8.545340 2.007382 4.825810 5.247680 6.625595 4.351186 3.239727 1.092219 5.433157 2.148848 6.582865 4.926480 7.178850 4.517595 2.745409 6.137430 7.444576 5.704223 6.790316 5.749969 3.678216 3.531590 1.760931 0.000000 5.467202 5.371058 6.641055 6.479459 2.749562 5.280094 4.550527 7.470277 4.134281 2.858143 2.165957 4.029909 1.093297 4.685308 3.526557 4.869809 5.644976 2.148151 6.554690 5.691844 3.779363 4.458017 6.992243 2.225902 3.350713 2.533986 3.062752 0.000000 5.770251 6.461998 7.317520 7.495791 2.700299 5.544930 4.872227 7.642085 4.510366 3.492756 2.143768 4.409443 1.092631 5.372205 3.464169 5.538914 5.840506 2.157571 6.781872 6.577506 3.726368 4.815265 7.139339 3.230088 4.231032 3.057086 2.478970 1.750042 0.000000 4.837306 4.949175 4.995508 5.722019 2.888809 4.087464 2.640429 6.002814 2.973244 3.092417 3.737981 2.139380 3.582211 3.382657 1.081872 3.851817 4.967176 5.033104 4.916077 4.641117 2.139840 3.373391 6.022612 2.949903 4.192233 4.640102 4.225338 3.503374 2.989281 0.000000 2.822879 3.687427 3.663604 2.357855 6.593766 6.684128 4.562114 8.349309 5.475531 5.697473 7.196762 3.400047 6.592406 2.149051 3.850307 1.080431 7.917474 7.722241 7.075953 2.722035 3.377568 2.134168 8.809289 4.832656 6.315094 7.557908 8.143164 5.676199 6.484912 4.932151 0.000000 9.185192 5.564757 6.450998 7.569174 2.633998 2.164902 4.054799 3.298668 2.833980 2.710232 3.464363 5.089149 4.881926 6.157432 5.468294 7.312612 1.074832 5.925081 3.235022 6.331428 6.744874 7.562523 2.219413 3.791272 2.407762 3.368851 3.661086 5.110182 5.286899 4.987686 8.181691 0.000000 6.623757 7.809453 9.068133 8.755853 4.614164 7.513201 6.935799 9.639802 6.483618 5.160569 3.463784 6.350748 2.168639 6.978739 5.544346 6.879095 7.639924 1.088993 8.832842 8.084287 5.429050 6.142027 8.984589 4.693057 5.514539 3.740111 3.742061 2.486163 2.498200 5.343133 7.603621 6.902097 0.000000 7.864546 8.274171 9.480086 9.526000 4.085978 7.091003 6.992961 9.054930 6.315580 4.996927 2.769972 6.720204 2.173870 7.613952 5.940671 7.786098 6.941486 1.091134 8.434399 8.658711 6.168296 7.117788 8.226808 4.905964 5.272682 3.076243 2.555462 3.066820 2.524439 5.447660 8.634552 6.078000 1.757792 0.000000 7.640617 7.439684 8.955563 8.736134 4.111590 6.874660 6.761915 8.898944 6.041650 4.565098 2.783250 6.467678 2.174372 7.135157 5.970373 7.316033 6.767346 1.091183 8.241153 7.994069 6.195324 6.874614 8.088837 4.300599 4.584244 2.550605 3.125440 2.513771 3.073723 5.740434 8.035322 5.915502 1.756994 1.760386 0.000000 8.233809 3.958404 3.375187 5.324341 4.917883 2.142798 2.573478 2.120930 2.751809 4.216643 6.291142 3.856208 7.096746 4.481440 4.879193 5.831621 3.231948 8.550901 1.077737 4.117749 6.140286 6.537144 3.179289 4.773168 4.508900 6.559489 6.811955 6.858755 7.112788 4.891553 6.505531 4.215830 9.216048 8.983925 8.772204 0.000000 2.846807 5.970729 5.995055 5.992648 4.852728 6.390335 4.554577 8.351054 5.116438 4.947185 5.172025 3.394140 4.256682 3.860042 2.140711 3.384738 7.319763 5.326073 7.181286 5.361123 1.081332 2.143880 8.425167 4.312489 5.962758 6.029317 5.705534 3.938923 3.502051 2.466338 4.268872 7.255793 5.120929 5.875954 6.144008 6.980142 0.000000 11.238239 6.830156 7.238341 8.786008 5.210069 3.230765 5.477401 2.142455 4.563543 5.118222 6.166015 6.800944 7.574940 7.758489 7.422909 9.077968 2.187432 8.638826 3.147607 7.564404 8.792539 9.532034 1.077999 6.164782 4.797840 6.070694 6.225919 7.770724 7.872930 6.969260 9.870583 2.728275 9.620524 8.719560 8.617321 4.164262 9.389323 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2658995 0.1755780 0.1179162 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.101832 0.000000 6.082927 2.175589 0.000000 5.182383 2.173992 2.170090 0.000000 7.075961 5.193576 6.119043 6.824703 0.000000 8.110896 4.094878 4.520843 5.954376 3.038299 0.000000 5.947282 2.903235 2.937382 4.204955 3.308870 2.292145 0.000000 10.042265 5.486915 5.468130 7.248364 5.087299 2.226681 4.096864 0.000000 6.754621 3.334654 3.937876 5.059013 2.377620 1.401828 1.270797 3.571124 0.000000 6.657949 3.834984 4.997355 5.594995 1.418616 2.476221 2.485498 4.667027 1.516909 0.000000 7.325147 6.075473 7.248823 7.639150 1.432576 4.378726 4.576713 6.377138 3.696774 2.390600 0.000000 4.552664 2.948815 3.012674 3.671468 3.671447 3.606821 1.396586 5.493423 2.338792 2.912589 4.671212 0.000000 6.247256 6.268238 7.399914 7.474290 2.472695 5.390388 4.944615 7.526385 4.395667 3.132364 1.527800 4.590388 0.000000 4.020050 2.372061 2.377025 2.373857 4.879515 4.605507 2.435451 6.327310 3.415390 3.907442 5.738928 1.407824 5.498830 0.000000 4.019174 4.262092 4.320011 4.785991 3.490137 4.346379 2.433266 6.326571 3.062401 3.236776 4.274369 1.401596 3.884708 2.414007 0.000000 2.723418 3.457114 3.437276 2.709065 5.706408 5.911275 3.708474 7.697664 4.640419 4.878502 6.341768 2.432971 5.768273 1.392735 2.785614 0.000000 9.218705 5.226654 5.872516 7.213729 3.124274 1.395593 3.609849 2.262675 2.510672 2.947894 4.256771 4.833710 5.551846 5.881673 5.388394 7.142800 0.000000 7.063670 7.537214 8.817897 8.693950 3.816964 6.780398 6.453494 8.865813 5.857020 4.494929 2.530994 6.051635 1.531647 6.843330 5.306229 6.958167 6.775388 0.000000 8.762405 4.370090 4.284865 6.059677 4.388244 1.388001 2.827491 1.302495 2.486982 3.794385 5.755108 4.221009 6.724554 5.035071 5.127121 6.402474 2.226414 8.143847 0.000000 5.227667 1.359591 1.349577 1.351985 5.636125 4.640559 2.866317 6.017787 3.746089 4.431375 6.577340 2.519874 6.565278 1.507563 3.797380 2.509611 5.931895 7.894259 4.789980 0.000000 2.728242 4.952342 4.982544 4.964494 4.576508 5.710450 3.705882 7.694444 4.386999 4.362337 5.057885 2.429861 4.262127 2.789890 1.389335 2.417817 6.741465 5.458897 6.472699 4.297337 0.000000 1.755930 4.618619 4.617417 4.098613 5.572714 6.365791 4.191534 8.287177 5.023106 5.060235 6.040170 2.796742 5.216091 2.405212 2.401335 1.390077 7.504294 6.315732 7.008932 3.786075 1.391040 0.000000 10.294920 5.931237 6.314265 7.878493 4.454965 2.194238 4.450856 1.386791 3.564444 4.257714 5.587956 5.792720 6.900319 6.763632 6.454414 8.092444 1.361898 8.114246 2.146236 6.617837 7.833986 8.552329 0.000000 5.728096 3.480722 4.782753 4.994249 2.089295 3.358499 2.620665 5.560632 2.130232 1.093368 2.656544 2.508382 2.845943 3.281016 2.766292 4.055047 4.006663 4.188833 4.559765 3.968222 3.655775 4.205719 5.282234 0.000000 7.485608 3.957891 5.421823 5.927695 2.081099 2.652647 3.240996 4.613793 2.149518 1.099168 2.709852 3.799667 3.666462 4.596638 4.283872 5.604690 2.782201 4.807692 3.934780 4.839696 5.354378 5.924615 4.045891 1.775271 0.000000 7.857268 6.034757 7.475748 7.732860 2.080906 4.569768 4.993828 6.491257 3.997990 2.552028 1.100189 5.162930 2.174718 6.083446 4.990439 6.728653 4.302931 2.777789 5.952394 6.735660 5.763453 6.581809 5.613643 2.815733 2.412686 0.000000 8.128930 7.051881 8.102948 8.638384 2.015959 4.847336 5.302469 6.650509 4.384496 3.260260 1.092848 5.496987 2.162315 6.662355 4.989563 7.272998 4.497905 2.778145 6.181472 7.527919 5.781355 6.881126 5.736547 3.683502 3.538225 1.770390 0.000000 5.465656 5.461521 6.695388 6.547768 2.747442 5.296789 4.532520 7.505658 4.135568 2.888498 2.163314 3.993140 1.094534 4.696102 3.425777 4.884867 5.665317 2.161650 6.585825 5.741404 3.686890 4.428231 7.019173 2.246370 3.431725 2.533110 3.067914 0.000000 5.900223 6.570448 7.399823 7.610971 2.685740 5.523819 4.877563 7.625153 4.505321 3.519415 2.140213 4.437931 1.094446 5.447626 3.462633 5.643805 5.790604 2.170367 6.781268 6.665638 3.766559 4.906976 7.092790 3.269939 4.277506 3.062978 2.482328 1.756088 0.000000 4.878426 4.969878 5.043990 5.752914 2.900854 4.092954 2.648056 6.050523 2.963251 3.072597 3.730018 2.142338 3.496812 3.391424 1.082966 3.868540 4.957741 4.950111 4.965043 4.659614 2.150310 3.387111 6.038294 2.897249 4.171521 4.598762 4.264742 3.350280 2.912772 0.000000 2.860815 3.705113 3.658014 2.344206 6.680312 6.735891 4.581636 8.422976 5.517018 5.755801 7.270718 3.412119 6.666792 2.149424 3.866432 1.080846 7.983870 7.769707 7.135956 2.710295 3.396230 2.148033 8.885087 4.899601 6.374420 7.569533 8.239491 5.717267 6.609728 4.949362 0.000000 9.228648 5.650383 6.536532 7.660513 2.561946 2.164877 4.055400 3.319937 2.826836 2.695363 3.451764 5.090651 4.866944 6.193346 5.445206 7.351625 1.075149 5.960160 3.250484 6.403685 6.733290 7.577258 2.234385 3.779801 2.427068 3.424712 3.596836 5.110171 5.198513 4.926450 8.227189 0.000000 6.590721 7.910719 9.128806 8.823525 4.637406 7.552871 6.938564 9.695669 6.508699 5.214065 3.483974 6.331133 2.177382 6.994007 5.464682 6.889600 7.681684 1.092276 8.885565 8.138707 5.336509 6.103760 9.031164 4.728223 5.617816 3.785824 3.775703 2.502060 2.513639 5.221529 7.640720 6.926687 0.000000 7.906807 8.377366 9.572867 9.613257 4.115752 7.141145 7.032145 9.116581 6.359335 5.050888 2.789791 6.748655 2.181241 7.667695 5.934677 7.842523 6.977766 1.094331 8.501833 8.736592 6.162886 7.147085 8.267419 4.936692 5.353398 3.126150 2.589846 3.078723 2.533128 5.406408 8.705901 6.090772 1.765673 0.000000 7.585294 7.526318 9.028165 8.784060 4.150016 6.956895 6.787984 9.006490 6.093090 4.623396 2.803784 6.456566 2.182143 7.144061 5.908088 7.307665 6.864541 1.094352 8.336300 8.042317 6.111175 6.822374 8.194561 4.317038 4.693341 2.601767 3.155894 2.524856 3.085579 5.650498 8.041076 6.006760 1.765010 1.767521 0.000000 8.336480 3.984353 3.443379 5.396209 4.963602 2.151792 2.618838 2.134989 2.777692 4.240152 6.355959 3.915845 7.142751 4.540393 4.951722 5.898972 3.250877 8.616658 1.077646 4.173655 6.218266 6.609838 3.201568 4.805715 4.511095 6.610945 6.869873 6.885279 7.128303 4.960565 6.559071 4.226427 9.263201 9.053527 8.852820 0.000000 2.866348 6.005441 6.038316 6.016521 4.907956 6.425608 4.581025 8.421085 5.140837 4.973394 5.194987 3.411006 4.209913 3.872444 2.150932 3.396664 7.344000 5.238041 7.250545 5.379882 1.082571 2.148716 8.468701 4.313318 5.987354 6.000833 5.782824 3.813115 3.523347 2.485207 4.287246 7.233684 4.978134 5.844960 6.023631 7.064903 0.000000 11.327667 6.928309 7.355176 8.910244 5.190397 3.250191 5.519834 2.154539 4.590762 5.131422 6.186019 6.849314 7.588826 7.832288 7.457838 9.155644 2.195702 8.697330 3.167413 7.667829 8.835551 9.592351 1.078564 6.186274 4.813243 6.141182 6.196449 7.798812 7.813200 6.978830 9.948999 2.752511 9.667764 8.753922 8.731726 4.186546 9.426324 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2620364 0.1724942 0.1154742 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= 623 623 623 623 623 MxSgAt= 38 MxSgA2= 38. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2117.7699763303 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0401274065 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2120.5231162509 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0404119173 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2119.7951996944 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0403121561 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2120.0730334359 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0403677915 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2120.2533852760 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0403907361 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2120.3463481397 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0404140928 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2120.3856595378 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0404338818 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2120.4763868646 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0404552430 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2120.5046104972 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0404607892 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2120.5053001526 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0404614139 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2120.5011564507 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0404619179 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= 604 RedAO= T EigKep= 1.33D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 7.09D-07 NBFU= 602 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= 619 619 619 619 619 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1579.66214730728 -1579.84381986929 -0.181672562007 -1580.13016064399 -0.286340774705 -1580.16314375044 -0.032983106445 -1580.18462949693 -0.021485746496 -1580.18526919260 -0.000639695665 -1580.18537197619 -0.000102783597 -1580.18538824833 -0.000016272134 -1580.18538894352 -0.000000695196 -1580.18538918857 -0.000000245050 -1580.18538920124 -0.000000012665 -1580.18538920263 -0.000000001388 -1580.18538920254 0.000000000090 -1580.18538920269 -0.000000000152 -1580.18538920279 -0.000000000100 -1580.18538920273 0.000000000061 -1580.18538920 16 1.575557223543e+03 -7.992840863239e+03 2.698849762600e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245924705 LenY= 4245530949 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. 4.65880236e-01 2.40745114e+00 5.52300000e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 17 9 9 9 8 7 7 7 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 -0.013164308 0.006107717 -0.000897664 0.012276569 0.000295973 -0.011227104 0.004313988 -0.011556268 0.009864680 -0.012144157 -0.005580872 -0.007490053 0.003431867 -0.000381891 0.008351584 -0.002692304 0.003726144 -0.001545126 -0.003586477 -0.006043814 0.005176421 0.007747168 -0.012002406 0.005180143 0.001412175 0.004265808 -0.003389972 -0.004377781 -0.006945887 -0.008006949 0.002963627 0.009112625 -0.004217492 0.000207392 0.000429619 -0.000028655 -0.003490219 -0.000122754 0.000425361 -0.001761523 0.000602185 0.000569366 0.002116379 0.003573091 0.003659919 -0.004505098 -0.002713446 -0.002890682 0.006507428 0.008602000 -0.004911109 -0.000436930 0.003245688 -0.001591815 -0.012340071 -0.009060303 0.004611931 -0.004333688 0.010591953 0.004998736 0.000851165 0.004750019 0.002974504 0.005563956 -0.002791995 0.000224494 0.012570964 0.002118478 -0.001611913 0.000026017 0.000454031 0.001284189 0.001462386 0.000384684 0.000349954 0.000433381 -0.001510241 -0.000671642 0.000592127 -0.000158395 0.001194557 0.000021572 -0.001313500 -0.000429234 0.000216583 -0.000514670 0.001685580 0.001244656 -0.000095752 -0.000291763 0.000433199 -0.001356600 -0.000632591 -0.001519396 0.000591714 0.000149254 -0.002083890 0.001052845 -0.000128303 0.001504906 0.001184594 0.001259668 0.000877115 -0.000556471 -0.002007355 -0.000379453 0.000614125 -0.000235313 -0.000673113 0.000936626 0.000233747 0.000713788 0.000065347 0.000010649 0.013164308 0.004758268 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1580.18878233535 -1580.18878323221 -0.000000896855 -1580.18878323379 -0.000000001583 -1580.18878324275 -0.000000008956 -1580.18878324292 -0.000000000169 -1580.18878324301 -0.000000000096 -1580.18878324298 0.000000000032 -1580.18878324309 -0.000000000109 -1580.18878324313 -0.000000000038 -1580.18878324 9 1.574901770310e+03 -7.956801711581e+03 2.681250463495e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245924705 LenY= 4245530949 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) PT87193.100S Fri Dec 10 22:06:02 2021 4.37179386e-01 2.47547898e+00 5.52997400e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1580.1887832 2.192E-9 6.415E-6 -2.081356,-0.2000354,2.2813914,10.4056823,-6.3334593,0.842046 C01 [X(C15H15Cl1F3N3O1)] 0.0724221 2.4614287 -0.7490341 -0.000004150 0.000002719 0.000000738 -0.000006955 0.000001566 0.000007685 -0.000003620 0.000012496 -0.000007587 0.000007221 0.000006732 0.000006260 -0.000003208 -0.000003898 0.000009353 -0.000011620 -0.000002321 -0.000013633 -0.000010659 -0.000003122 -0.000005248 -0.000018262 0.000002352 0.000005750 0.000024322 0.000001060 0.000007728 -0.000003637 -0.000010429 0.000005104 -0.000003740 0.000016785 -0.000010672 -0.000007906 0.000001761 0.000002629 0.000009223 -0.000007313 0.000004144 0.000009804 -0.000008848 -0.000001937 0.000006418 0.000001543 0.000000416 -0.000008873 0.000008996 0.000004000 0.000005489 0.000002133 0.000004460 0.000000034 -0.000002055 0.000001099 0.000016150 0.000000655 0.000003046 0.000001221 -0.000026244 -0.000008294 -0.000003730 0.000006973 0.000003716 0.000002658 -0.000006940 -0.000002938 0.000002728 0.000003239 -0.000007197 0.000001341 0.000003284 -0.000001994 -0.000000996 0.000000446 -0.000003055 -0.000000015 -0.000002261 0.000002934 0.000001998 0.000000722 -0.000001404 -0.000002124 0.000000693 -0.000001148 -0.000001216 -0.000000566 -0.000000794 -0.000000491 0.000000293 0.000001294 -0.000000508 0.000001617 0.000000568 0.000001528 -0.000000418 -0.000000863 0.000000891 0.000001305 -0.000000580 0.000000222 0.000001661 -0.000001514 -0.000000602 0.000001568 -0.000000435 0.000000256 -0.000003358 -0.000000241 0.000001130 -0.000000250 -0.000000539 -0.000000321 -0.000002576 -0.000000854 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-BELVIS4 PAULAPLA Optimization triflumizole_E CONF265 gas EM64L-G16RevC.01 108 C1[X(C15H15ClF3N3O)] 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization triflumizole_E CONF265 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 35 19 19 19 16 14 14 14 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 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 1 1 0 2 2 2 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 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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/triflumizole_E/gas/CONF265/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 1 2 3 4 5 5 6 6 6 7 7 8 8 9 10 10 11 11 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 21 21 23 22 20 20 20 10 11 9 17 19 9 12 19 23 10 24 25 13 26 27 14 15 18 28 29 16 20 21 30 22 31 23 32 33 34 35 36 22 37 38 1.7559 1.3596 1.3496 1.352 1.4186 1.4326 1.4018 1.3956 1.388 1.2708 1.3966 1.3025 1.3868 1.5169 1.0934 1.0992 1.5278 1.1002 1.0928 1.4078 1.4016 1.5316 1.0945 1.0944 1.3927 1.5076 1.3893 1.083 1.3901 1.0808 1.3619 1.0751 1.0923 1.0943 1.0944 1.0776 1.391 1.0826 1.0786 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 10 9 9 17 9 19 6 6 7 5 5 5 9 9 24 5 5 5 13 13 26 7 7 14 11 11 11 18 18 28 12 12 16 12 12 21 14 14 22 6 6 23 13 13 13 33 33 34 6 6 8 2 2 2 3 3 4 15 15 22 1 1 16 8 8 17 5 6 6 6 7 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 11 17 19 19 12 23 7 10 10 9 24 25 24 25 25 13 26 27 26 27 27 14 15 15 18 28 29 28 29 29 16 20 20 21 30 30 22 31 31 23 32 32 33 34 35 34 35 35 8 36 36 3 4 14 4 14 14 22 37 37 16 21 21 17 38 38 113.9541 127.6614 126.1103 106.2282 122.4503 105.8497 118.0221 116.0179 125.9199 108.135 111.9034 110.857 108.2979 109.4656 108.1307 113.2476 109.7944 105.1344 110.6366 110.0915 107.6611 120.5544 120.8216 118.4658 111.6389 110.0707 108.2725 109.6735 110.3656 106.6892 120.6253 119.5749 119.7805 121.0626 118.5813 120.356 119.608 120.1484 120.2435 105.4433 121.8383 132.5879 111.0532 111.2376 111.3085 107.7037 107.6433 107.719 111.6687 121.0353 127.2795 106.8435 106.5937 111.5454 106.8874 112.484 112.1143 119.463 120.4462 120.0906 119.4664 119.7626 120.7708 110.8063 121.3318 127.8605 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 11 11 11 10 10 10 17 17 19 19 9 9 19 19 9 9 17 17 12 12 9 9 23 23 19 19 6 6 6 7 7 7 5 5 5 26 26 26 27 27 27 7 7 15 15 7 7 14 14 11 11 11 28 28 28 29 29 29 12 12 20 20 12 12 12 16 16 16 12 12 30 30 14 14 31 31 6 6 32 32 15 15 37 37 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 21 21 21 21 10 10 10 11 11 11 9 9 9 9 17 17 17 17 19 19 19 19 9 9 12 12 19 19 23 23 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 18 18 18 18 18 18 18 18 18 16 16 16 16 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 22 22 22 22 9 24 25 13 26 27 7 10 7 10 23 32 23 32 8 36 8 36 6 10 14 15 6 36 17 38 5 24 25 5 24 25 18 28 29 18 28 29 18 28 29 16 20 16 20 21 30 21 30 33 34 35 33 34 35 33 34 35 22 31 22 31 2 3 4 2 3 4 22 37 22 37 1 21 1 21 8 38 8 38 1 16 1 16 -175.2047 -56.0112 64.7929 79.5549 -44.6591 -160.2134 -167.5573 14.6089 12.5323 -165.3014 -179.9875 3.6778 -0.0629 -176.3976 179.5877 0.9605 -0.3384 -178.9656 177.1339 -5.2701 118.4319 -66.2105 0.5832 179.1048 -0.6274 178.9704 -76.4554 162.0947 44.4165 105.9061 -15.5439 -133.222 177.5458 -60.4116 55.8598 -58.7004 63.3422 179.6136 60.1779 -177.7795 -61.5081 176.2497 -5.3552 0.7845 179.1796 -175.8217 4.1378 -0.3691 179.5904 -179.19 -59.2441 60.8931 58.539 178.485 -61.3779 -58.7215 61.2244 -178.6384 -0.7547 179.093 -179.1465 0.7012 -56.6586 63.3789 -176.1212 121.7502 -118.2122 2.2876 -0.073 -179.9503 179.9682 0.0909 -179.8591 0.2995 0.2934 -179.548 0.4194 -179.1454 176.1891 -3.3757 -179.7285 0.1124 0.1492 179.9902 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00030 0.00180 0.00252 0.00276 0.00411 0.00456 0.00618 0.00740 0.00848 0.01179 0.01409 0.01677 0.01784 0.01998 0.02077 0.02244 0.02516 0.02589 0.02594 0.02716 0.02752 0.03097 0.03572 0.03889 0.04352 0.04561 0.04577 0.04808 0.05160 0.05810 0.05973 0.06078 0.06897 0.07723 0.10005 0.10203 0.10393 0.10610 0.10673 0.11369 0.11448 0.11965 0.12034 0.12172 0.12346 0.12807 0.13721 0.13872 0.14180 0.16098 0.16173 0.17325 0.17714 0.18367 0.18500 0.19194 0.19376 0.20432 0.20679 0.22630 0.22952 0.23155 0.23244 0.23571 0.24198 0.24408 0.25148 0.25549 0.27060 0.27499 0.29030 0.29682 0.30975 0.31442 0.31855 0.32303 0.32584 0.32756 0.33007 0.33232 0.33251 0.33375 0.33811 0.34216 0.34774 0.35426 0.35874 0.36056 0.36496 0.36624 0.37131 0.37455 0.38019 0.38847 0.39252 0.39658 0.40970 0.42449 0.44283 0.45246 0.46202 0.46732 0.47110 0.48215 0.50638 0.51058 0.58602 0.76562 Angle between quadratic step and forces= 83.57 degrees. 1 2 3 0.00606346 0.00001648 0.00000000 0.00000771 0.00000001 0.00000001 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 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 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 3.31823 2.56926 2.55033 2.55488 2.68080 2.70718 2.64907 2.63729 2.62294 2.40146 2.63916 2.46136 2.62065 2.86654 2.06617 2.07713 2.88712 2.07906 2.06518 2.66040 2.64863 2.89439 2.06837 2.06820 2.63189 2.84888 2.62546 2.04651 2.62686 2.04250 2.57361 2.03174 2.06410 2.06799 2.06803 2.03646 2.62869 2.04576 2.03819 1.98887 2.22811 2.20104 1.85403 2.13716 1.84743 2.05987 2.02489 2.19772 1.88731 1.95308 1.93482 1.89016 1.91053 1.88724 1.97654 1.91627 1.83494 1.93097 1.92146 1.87904 2.10407 2.10873 2.06762 1.94847 1.92110 1.88971 1.91416 1.92624 1.86208 2.10531 2.08697 2.09056 2.11294 2.06963 2.10061 2.08755 2.09699 2.09864 1.84033 2.12648 2.31410 1.93824 1.94146 1.94270 1.87978 1.87873 1.88005 1.94899 2.11247 2.22145 1.86477 1.86041 1.94683 1.86554 1.96322 1.95676 2.08502 2.10218 2.09598 2.08508 2.09025 2.10785 1.93393 2.11764 2.23159 -3.05790 -0.97758 1.13085 1.38849 -0.77945 -2.79625 -2.92443 0.25497 0.21873 -2.88505 -3.14137 0.06419 -0.00110 -3.07872 3.13440 0.01676 -0.00591 -3.12354 3.09157 -0.09198 2.06703 -1.15559 0.01018 3.12597 -0.01095 3.12362 -1.33440 2.82909 0.77522 1.84841 -0.27129 -2.32516 3.09876 -1.05438 0.97494 -1.02451 1.10553 3.13485 1.05030 -3.10284 -1.07352 3.07614 -0.09347 0.01369 3.12727 -3.06867 0.07222 -0.00644 3.13444 -3.12746 -1.03400 1.06278 1.02170 3.11515 -1.07125 -1.02488 1.06857 -3.11783 -0.01317 3.12576 -3.12670 0.01224 -0.98888 1.10617 -3.07390 2.12494 -2.06319 0.03993 -0.00127 -3.14073 3.14104 0.00159 -3.13913 0.00523 0.00512 -3.13370 0.00732 -3.12668 3.07508 -0.05892 -3.13685 0.00196 0.00260 3.14142 0.00000 -0.00001 -0.00001 -0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00001 0.00001 -0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00021 0.00000 0.00005 0.00004 0.00005 0.00003 0.00001 0.00001 0.00007 -0.00016 -0.00002 0.00001 0.00000 0.00002 -0.00001 -0.00003 -0.00000 -0.00000 0.00007 0.00009 0.00002 0.00001 0.00000 -0.00003 0.00009 0.00001 0.00001 0.00003 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00007 0.00002 0.00000 -0.00002 0.00045 0.00001 -0.00013 -0.00009 0.00021 0.00002 -0.00002 -0.00005 0.00011 -0.00003 -0.00003 0.00010 -0.00006 -0.00005 -0.00002 0.00001 0.00001 -0.00043 0.00043 -0.00002 -0.00003 0.00004 0.00005 -0.00005 -0.00004 0.00003 -0.00003 0.00007 -0.00004 0.00002 0.00000 -0.00002 0.00003 0.00001 -0.00004 0.00002 0.00007 -0.00008 0.00001 0.00002 0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00010 0.00003 0.00013 -0.00005 -0.00010 -0.00011 -0.00003 0.00001 0.00002 -0.00002 -0.00001 0.00002 -0.00001 -0.00001 0.00002 -0.00303 -0.00289 -0.00298 -0.00075 -0.00076 -0.00071 -0.00001 0.00018 -0.00061 -0.00042 -0.00042 -0.00044 0.00009 0.00007 0.00043 0.00042 -0.00007 -0.00007 -0.00086 -0.00108 0.00754 0.00719 0.00002 0.00002 0.00004 0.00002 -0.00124 -0.00130 -0.00130 -0.00103 -0.00108 -0.00109 -0.00032 -0.00037 -0.00029 -0.00034 -0.00039 -0.00031 -0.00032 -0.00038 -0.00030 -0.00007 0.00030 0.00025 0.00062 0.00023 0.00012 -0.00013 -0.00024 0.00004 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00007 0.00007 -0.00018 -0.00006 -0.00056 -0.00044 0.00071 0.00086 0.00065 0.00108 0.00123 0.00102 -0.00006 -0.00010 0.00006 0.00001 0.00010 -0.00001 -0.00002 -0.00013 -0.00008 -0.00006 -0.00005 -0.00002 0.00001 0.00013 0.00006 0.00018 0.00001 -0.00021 0.00000 0.00005 0.00004 0.00005 0.00003 0.00001 0.00001 0.00007 -0.00016 -0.00002 0.00001 0.00000 0.00002 -0.00001 -0.00003 -0.00000 -0.00000 0.00007 0.00009 0.00002 0.00001 0.00000 -0.00003 0.00009 0.00001 0.00001 0.00003 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00007 0.00002 0.00000 -0.00002 0.00045 0.00001 -0.00013 -0.00009 0.00021 0.00002 -0.00002 -0.00005 0.00011 -0.00003 -0.00003 0.00010 -0.00006 -0.00005 -0.00002 0.00001 0.00001 -0.00043 0.00043 -0.00002 -0.00003 0.00004 0.00005 -0.00005 -0.00004 0.00003 -0.00003 0.00007 -0.00004 0.00002 0.00000 -0.00002 0.00003 0.00001 -0.00004 0.00002 0.00007 -0.00008 0.00001 0.00002 0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00010 0.00003 0.00013 -0.00005 -0.00010 -0.00011 -0.00003 0.00001 0.00002 -0.00002 -0.00001 0.00002 -0.00001 -0.00001 0.00002 -0.00303 -0.00289 -0.00298 -0.00075 -0.00076 -0.00071 -0.00001 0.00018 -0.00061 -0.00042 -0.00042 -0.00044 0.00009 0.00007 0.00043 0.00042 -0.00007 -0.00007 -0.00086 -0.00108 0.00754 0.00719 0.00002 0.00002 0.00004 0.00002 -0.00124 -0.00130 -0.00130 -0.00103 -0.00108 -0.00109 -0.00032 -0.00037 -0.00029 -0.00034 -0.00039 -0.00031 -0.00032 -0.00038 -0.00030 -0.00007 0.00030 0.00025 0.00062 0.00023 0.00012 -0.00013 -0.00024 0.00004 0.00005 0.00005 0.00005 0.00006 0.00006 0.00006 0.00007 0.00007 -0.00018 -0.00006 -0.00056 -0.00044 0.00071 0.00086 0.00065 0.00108 0.00123 0.00102 -0.00006 -0.00010 0.00006 0.00001 0.00010 -0.00001 -0.00002 -0.00013 -0.00008 -0.00006 -0.00005 -0.00002 0.00001 0.00013 0.00006 0.00018 3.31824 2.56904 2.55033 2.55493 2.68084 2.70722 2.64910 2.63730 2.62296 2.40152 2.63900 2.46133 2.62066 2.86655 2.06619 2.07712 2.88709 2.07905 2.06518 2.66048 2.64872 2.89441 2.06837 2.06821 2.63186 2.84898 2.62547 2.04652 2.62690 2.04250 2.57361 2.03174 2.06410 2.06798 2.06802 2.03646 2.62867 2.04576 2.03819 1.98895 2.22813 2.20104 1.85401 2.13761 1.84743 2.05974 2.02480 2.19793 1.88734 1.95306 1.93477 1.89027 1.91050 1.88721 1.97665 1.91621 1.83489 1.93096 1.92147 1.87905 2.10364 2.10916 2.06760 1.94844 1.92113 1.88976 1.91411 1.92621 1.86211 2.10528 2.08705 2.09053 2.11296 2.06964 2.10059 2.08758 2.09700 2.09860 1.84035 2.12655 2.31401 1.93825 1.94148 1.94270 1.87978 1.87872 1.88004 1.94900 2.11246 2.22143 1.86487 1.86044 1.94697 1.86548 1.96312 1.95666 2.08499 2.10219 2.09600 2.08506 2.09025 2.10787 1.93392 2.11763 2.23161 -3.06093 -0.98047 1.12787 1.38774 -0.78021 -2.79697 -2.92443 0.25515 0.21812 -2.88548 3.14139 0.06375 -0.00101 -3.07865 3.13482 0.01719 -0.00598 -3.12361 3.09071 -0.09306 2.07457 -1.14840 0.01020 3.12599 -0.01091 3.12364 -1.33564 2.82779 0.77391 1.84738 -0.27237 -2.32625 3.09844 -1.05476 0.97465 -1.02485 1.10514 3.13454 1.04998 -3.10322 -1.07382 3.07607 -0.09316 0.01394 3.12790 -3.06844 0.07233 -0.00657 3.13420 -3.12741 -1.03396 1.06284 1.02175 3.11521 -1.07119 -1.02482 1.06864 -3.11776 -0.01335 3.12571 -3.12725 0.01180 -0.98817 1.10703 -3.07325 2.12602 -2.06196 0.04094 -0.00133 -3.14083 3.14110 0.00160 -3.13903 0.00521 0.00510 -3.13384 0.00724 -3.12674 3.07503 -0.05894 -3.13684 0.00209 0.00266 -3.14159 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000015 0.000004 0.020623 0.006067 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -3.396831e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2120.5011564507 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0404619179 0.000000 6.101832 0.000000 6.082927 2.175589 0.000000 5.182383 2.173992 2.170090 0.000000 7.075961 5.193576 6.119043 6.824703 0.000000 8.110896 4.094878 4.520843 5.954376 3.038299 0.000000 5.947282 2.903235 2.937382 4.204955 3.308870 2.292145 0.000000 10.042265 5.486915 5.468130 7.248364 5.087299 2.226681 4.096864 0.000000 6.754621 3.334654 3.937876 5.059013 2.377620 1.401828 1.270797 3.571124 0.000000 6.657949 3.834984 4.997355 5.594995 1.418616 2.476221 2.485498 4.667027 1.516909 0.000000 7.325147 6.075473 7.248823 7.639150 1.432576 4.378726 4.576713 6.377138 3.696774 2.390600 0.000000 4.552664 2.948815 3.012674 3.671468 3.671447 3.606821 1.396586 5.493423 2.338792 2.912589 4.671212 0.000000 6.247256 6.268238 7.399914 7.474290 2.472695 5.390388 4.944615 7.526385 4.395667 3.132364 1.527800 4.590388 0.000000 4.020050 2.372061 2.377025 2.373857 4.879515 4.605507 2.435451 6.327310 3.415390 3.907442 5.738928 1.407824 5.498830 0.000000 4.019174 4.262092 4.320011 4.785991 3.490137 4.346379 2.433266 6.326571 3.062401 3.236776 4.274369 1.401596 3.884708 2.414007 0.000000 2.723418 3.457114 3.437276 2.709065 5.706408 5.911275 3.708474 7.697664 4.640419 4.878502 6.341768 2.432971 5.768273 1.392735 2.785614 0.000000 9.218705 5.226654 5.872516 7.213729 3.124274 1.395593 3.609849 2.262675 2.510672 2.947894 4.256771 4.833710 5.551846 5.881673 5.388394 7.142800 0.000000 7.063670 7.537214 8.817897 8.693950 3.816964 6.780398 6.453494 8.865813 5.857020 4.494929 2.530994 6.051635 1.531647 6.843330 5.306229 6.958167 6.775388 0.000000 8.762405 4.370090 4.284865 6.059677 4.388244 1.388001 2.827491 1.302495 2.486982 3.794385 5.755108 4.221009 6.724554 5.035071 5.127121 6.402474 2.226414 8.143847 0.000000 5.227667 1.359591 1.349577 1.351985 5.636125 4.640559 2.866317 6.017787 3.746089 4.431375 6.577340 2.519874 6.565278 1.507563 3.797380 2.509611 5.931895 7.894259 4.789980 0.000000 2.728242 4.952342 4.982544 4.964494 4.576508 5.710450 3.705882 7.694444 4.386999 4.362337 5.057885 2.429861 4.262127 2.789890 1.389335 2.417817 6.741465 5.458897 6.472699 4.297337 0.000000 1.755930 4.618619 4.617417 4.098613 5.572714 6.365791 4.191534 8.287177 5.023106 5.060235 6.040170 2.796742 5.216091 2.405212 2.401335 1.390077 7.504294 6.315732 7.008932 3.786075 1.391040 0.000000 10.294920 5.931237 6.314265 7.878493 4.454965 2.194238 4.450856 1.386791 3.564444 4.257714 5.587956 5.792720 6.900319 6.763632 6.454414 8.092444 1.361898 8.114246 2.146236 6.617837 7.833986 8.552329 0.000000 5.728096 3.480722 4.782753 4.994249 2.089295 3.358499 2.620665 5.560632 2.130232 1.093368 2.656544 2.508382 2.845943 3.281016 2.766292 4.055047 4.006663 4.188833 4.559765 3.968222 3.655775 4.205719 5.282234 0.000000 7.485608 3.957891 5.421823 5.927695 2.081099 2.652647 3.240996 4.613793 2.149518 1.099168 2.709852 3.799667 3.666462 4.596638 4.283872 5.604690 2.782201 4.807692 3.934780 4.839696 5.354378 5.924615 4.045891 1.775271 0.000000 7.857268 6.034757 7.475748 7.732860 2.080906 4.569768 4.993828 6.491257 3.997990 2.552028 1.100189 5.162930 2.174718 6.083446 4.990439 6.728653 4.302931 2.777789 5.952394 6.735660 5.763453 6.581809 5.613643 2.815733 2.412686 0.000000 8.128930 7.051881 8.102948 8.638384 2.015959 4.847336 5.302469 6.650509 4.384496 3.260260 1.092848 5.496987 2.162315 6.662355 4.989563 7.272998 4.497905 2.778145 6.181472 7.527919 5.781355 6.881126 5.736547 3.683502 3.538225 1.770390 0.000000 5.465656 5.461521 6.695388 6.547768 2.747442 5.296789 4.532520 7.505658 4.135568 2.888498 2.163314 3.993140 1.094534 4.696102 3.425777 4.884867 5.665317 2.161650 6.585825 5.741404 3.686890 4.428231 7.019173 2.246370 3.431725 2.533110 3.067914 0.000000 5.900223 6.570448 7.399823 7.610971 2.685740 5.523819 4.877563 7.625153 4.505321 3.519415 2.140213 4.437931 1.094446 5.447626 3.462633 5.643805 5.790604 2.170367 6.781268 6.665638 3.766559 4.906976 7.092790 3.269939 4.277506 3.062978 2.482328 1.756088 0.000000 4.878426 4.969878 5.043990 5.752914 2.900854 4.092954 2.648056 6.050523 2.963251 3.072597 3.730018 2.142338 3.496812 3.391424 1.082966 3.868540 4.957741 4.950111 4.965043 4.659614 2.150310 3.387111 6.038294 2.897249 4.171521 4.598762 4.264742 3.350280 2.912772 0.000000 2.860815 3.705113 3.658014 2.344206 6.680312 6.735891 4.581636 8.422976 5.517018 5.755801 7.270718 3.412119 6.666792 2.149424 3.866432 1.080846 7.983870 7.769707 7.135956 2.710295 3.396230 2.148033 8.885087 4.899601 6.374420 7.569533 8.239491 5.717267 6.609728 4.949362 0.000000 9.228648 5.650383 6.536532 7.660513 2.561946 2.164877 4.055400 3.319937 2.826836 2.695363 3.451764 5.090651 4.866944 6.193346 5.445206 7.351625 1.075149 5.960160 3.250484 6.403685 6.733290 7.577258 2.234385 3.779801 2.427068 3.424712 3.596836 5.110171 5.198513 4.926450 8.227189 0.000000 6.590721 7.910719 9.128806 8.823525 4.637406 7.552871 6.938564 9.695669 6.508699 5.214065 3.483974 6.331133 2.177382 6.994007 5.464682 6.889600 7.681684 1.092276 8.885565 8.138707 5.336509 6.103760 9.031164 4.728223 5.617816 3.785824 3.775703 2.502060 2.513639 5.221529 7.640720 6.926687 0.000000 7.906807 8.377366 9.572867 9.613257 4.115752 7.141145 7.032145 9.116581 6.359335 5.050888 2.789791 6.748655 2.181241 7.667695 5.934677 7.842523 6.977766 1.094331 8.501833 8.736592 6.162886 7.147085 8.267419 4.936692 5.353398 3.126150 2.589846 3.078723 2.533128 5.406408 8.705901 6.090772 1.765673 0.000000 7.585294 7.526318 9.028165 8.784060 4.150016 6.956895 6.787984 9.006490 6.093090 4.623396 2.803784 6.456566 2.182143 7.144061 5.908088 7.307665 6.864541 1.094352 8.336300 8.042317 6.111175 6.822374 8.194561 4.317038 4.693341 2.601767 3.155894 2.524856 3.085579 5.650498 8.041076 6.006760 1.765010 1.767521 0.000000 8.336480 3.984353 3.443379 5.396209 4.963602 2.151792 2.618838 2.134989 2.777692 4.240152 6.355959 3.915845 7.142751 4.540393 4.951722 5.898972 3.250877 8.616658 1.077646 4.173655 6.218266 6.609838 3.201568 4.805715 4.511095 6.610945 6.869873 6.885279 7.128303 4.960565 6.559071 4.226427 9.263201 9.053527 8.852820 0.000000 2.866348 6.005441 6.038316 6.016521 4.907956 6.425608 4.581025 8.421085 5.140837 4.973394 5.194987 3.411006 4.209913 3.872444 2.150932 3.396664 7.344000 5.238041 7.250545 5.379882 1.082571 2.148716 8.468701 4.313318 5.987354 6.000833 5.782824 3.813115 3.523347 2.485207 4.287246 7.233684 4.978134 5.844960 6.023631 7.064903 0.000000 11.327667 6.928309 7.355176 8.910244 5.190397 3.250191 5.519834 2.154539 4.590762 5.131422 6.186019 6.849314 7.588826 7.832288 7.457838 9.155644 2.195702 8.697330 3.167413 7.667829 8.835551 9.592351 1.078564 6.186274 4.813243 6.141182 6.196449 7.798812 7.813200 6.978830 9.948999 2.752511 9.667764 8.753922 8.731726 4.186546 9.426324 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2620364 0.1724942 0.1154742 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= 604 RedAO= T EigKep= 1.33D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 7.09D-07 NBFU= 602 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= 619 619 619 619 619 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.18878324314 -1580.18878324 1 1.574901770257e+03 -7.956801713692e+03 2.681250465660e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245924705 LenY= 4245530949 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 38. Will process 39 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 11773 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 780000000 NMat= 114 IRICut= 285 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 114 NMatS0= 114 NMatT0= 0 NMatD0= 114 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 77.16% of shell-pairs survive, threshold= 0.20 IRatSp=77. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 114 vectors produced by pass 0 Test12= 4.57D-14 1.00D-09 XBig12= 3.30D+02 7.23D+00. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 4.57D-14 1.00D-09 XBig12= 6.62D+01 1.48D+00. 114 vectors produced by pass 2 Test12= 4.57D-14 1.00D-09 XBig12= 6.78D-01 7.52D-02. 114 vectors produced by pass 3 Test12= 4.57D-14 1.00D-09 XBig12= 4.46D-03 6.70D-03. 114 vectors produced by pass 4 Test12= 4.57D-14 1.00D-09 XBig12= 1.30D-05 3.12D-04. 104 vectors produced by pass 5 Test12= 4.57D-14 1.00D-09 XBig12= 2.32D-08 9.59D-06. 49 vectors produced by pass 6 Test12= 4.57D-14 1.00D-09 XBig12= 3.46D-11 4.86D-07. 3 vectors produced by pass 7 Test12= 4.57D-14 1.00D-09 XBig12= 4.79D-14 2.25D-08. 1 vectors produced by pass 8 Test12= 4.57D-14 1.00D-09 XBig12= 6.16D-17 1.01D-09. InvSVY: IOpt=1 It= 1 EMax= 2.49D-14 Solved reduced A of dimension 727 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 224.22 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 310.976 16.465 214.543 -1.648 -2.734 147.132 422.386 14.958 311.288 1.832 -13.339 240.407 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT84797.900S Fri Dec 10 23:07:15 2021 4.37179470e-01 2.47547905e+00 5.52997163e-01 3.10975561e+02 1.64654929e+01 2.14543181e+02 -1.64772239e+00 -2.73383191e+00 1.47132290e+02 -0.0015 -0.0011 0.0011 0.1633 1.9052 2.4984 5.5767 19.2316 29.2806 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 4.2366 19.1953 29.2779 35.7935 46.4944 49.4596 63.6306 76.5951 108.6757 119.6910 125.5622 135.8856 154.8261 201.0775 226.2459 240.1389 264.2066 281.3398 286.2080 305.5180 318.3329 345.2754 359.4483 379.6748 430.7941 475.0704 480.4980 490.7642 532.1164 545.1320 595.7250 613.9695 614.7107 656.6339 661.2222 670.9442 693.1230 738.1382 749.4131 764.9255 768.7410 798.9842 846.0448 851.9040 866.4051 883.2373 897.2927 901.2418 910.5979 913.0809 973.2666 983.5573 992.0367 1028.0985 1035.5770 1064.4124 1085.7249 1101.3986 1106.7358 1117.6124 1123.9064 1127.3679 1137.3644 1151.6609 1172.8889 1196.0426 1241.7177 1249.4478 1271.1514 1276.8027 1294.0585 1304.2830 1316.0428 1322.2286 1333.0386 1334.7976 1343.5750 1412.7687 1419.6644 1426.8119 1439.2405 1442.1703 1492.7117 1499.2898 1503.3365 1503.7085 1511.5627 1515.9362 1525.5304 1562.2541 1598.7987 1635.9771 1730.6386 2976.3996 2989.0441 3021.4196 3029.1284 3053.3109 3063.0403 3074.0977 3090.1110 3095.9094 3188.2296 3202.5559 3219.4572 3243.0308 3267.4129 3290.2665 5.7747 4.4872 3.5926 8.9334 11.2445 7.2900 2.5407 2.7615 4.5530 5.5103 5.5878 6.6364 11.4422 6.2449 5.6632 1.1271 10.2521 2.9308 6.3452 3.7360 4.5061 9.8798 7.5708 4.1591 4.8331 6.0196 7.0202 6.6747 5.5946 4.1920 7.4654 4.4368 4.9870 4.3222 7.5963 4.7612 9.8178 1.2624 4.9754 3.8499 1.1310 4.0653 1.3937 1.9504 4.8610 1.3815 1.8944 1.2424 6.2998 1.3991 1.3813 3.7765 4.2341 2.2845 2.9971 4.7607 1.7947 7.3004 5.1676 4.5369 2.1924 1.9543 3.5388 2.2542 1.6093 1.8603 3.9652 1.2389 4.5779 1.2588 1.2445 1.6760 3.4719 7.2403 1.1347 1.4906 1.7969 1.3481 1.2714 1.6428 2.7367 4.2270 1.0655 1.0710 1.0386 3.1989 1.0964 2.7115 1.1143 4.8262 8.0600 6.1222 11.0572 1.0693 1.0671 1.0368 1.0597 1.0986 1.0938 1.0984 1.1031 1.1004 1.0889 1.0955 1.0919 1.0947 1.0981 1.1028 0.0001 0.0010 0.0018 0.0067 0.0143 0.0105 0.0061 0.0095 0.0317 0.0465 0.0519 0.0722 0.1616 0.1488 0.1708 0.0383 0.4216 0.1367 0.3062 0.2055 0.2690 0.6940 0.5763 0.3532 0.5285 0.8004 0.9550 0.9472 0.9333 0.7340 1.5610 0.9854 1.1103 1.0980 1.9568 1.2628 2.7790 0.4052 1.6464 1.3272 0.3938 1.5291 0.5878 0.8340 2.1499 0.6350 0.8986 0.5946 3.0777 0.6873 0.7709 2.1525 2.4551 1.4227 1.8937 3.1779 1.2464 5.2178 3.7293 3.3388 1.6317 1.4634 2.6972 1.7616 1.3043 1.5679 3.6021 1.1395 4.3583 1.2091 1.2279 1.6798 3.5429 7.4580 1.1880 1.5647 1.9111 1.5854 1.5098 1.9705 3.3400 5.1798 1.3988 1.4185 1.3830 4.2617 1.4759 3.6713 1.5279 6.9400 12.1388 9.6542 19.5123 5.5811 5.6171 5.5766 5.7291 6.0345 6.0461 6.1154 6.2061 6.2143 6.5213 6.6198 6.6683 6.7834 6.9072 7.0341 0.9442 0.0712 0.2761 0.5148 0.0378 0.2130 1.3375 0.4875 1.6967 0.1892 0.2308 0.2602 1.3188 1.3189 2.2131 0.0160 0.1895 4.0133 0.1988 4.0819 0.5526 0.2348 3.2249 2.1440 4.8051 0.0409 10.6768 2.5849 2.5377 14.8836 9.9853 8.1581 1.9657 8.6290 2.7167 22.4148 23.4548 26.6877 13.0075 0.8113 2.4112 45.4112 20.2037 37.1209 16.8988 0.9951 6.5422 0.2847 2.6045 17.8664 7.7013 34.6977 42.6859 34.9428 1.4028 142.0188 45.8540 220.1381 150.3426 106.1241 16.0470 15.0411 190.6092 12.1608 16.6558 9.9831 121.1306 57.7868 156.0381 14.1993 4.9401 16.4698 207.4441 127.3967 17.6404 43.5306 107.1137 17.0331 12.7370 39.3272 261.7243 23.8218 2.7132 2.1186 8.1691 294.2781 14.4398 4.1498 16.3653 0.4953 9.7713 5.1172 471.4456 34.9332 39.6103 27.3523 33.6199 9.9930 12.3093 6.8225 69.6645 25.7776 0.9048 0.4144 1.8101 3.7932 3.6373 3.9444 -0.01 0.02 -0.03 -0.05 0.18 0.03 -0.03 0.05 0.13 -0.05 0.14 0.13 -0.03 -0.05 0.11 0.00 -0.03 -0.05 -0.00 -0.01 -0.11 -0.01 0.00 -0.11 0.00 -0.04 -0.05 0.02 -0.10 0.02 0.05 -0.08 0.16 -0.00 -0.01 -0.09 0.05 -0.10 0.03 -0.02 0.05 -0.01 0.01 -0.05 -0.15 -0.02 0.05 0.01 0.01 -0.05 0.02 0.14 -0.14 0.10 -0.01 -0.00 -0.13 -0.04 0.10 0.07 0.01 -0.04 -0.13 -0.01 0.01 -0.06 0.00 -0.03 -0.01 0.04 -0.10 -0.02 0.07 -0.16 0.05 0.16 -0.14 0.20 0.01 -0.04 0.27 0.10 -0.15 -0.08 -0.06 -0.05 0.00 0.02 -0.09 -0.21 -0.03 0.09 0.07 0.01 -0.07 0.10 0.14 -0.16 0.01 0.10 -0.10 0.21 0.25 -0.20 0.13 -0.01 0.02 -0.20 0.02 -0.07 -0.18 0.00 -0.04 0.03 -0.05 0.11 0.09 -0.01 -0.06 -0.03 0.02 -0.00 -0.07 0.01 -0.02 -0.06 -0.02 -0.01 0.04 -0.03 -0.02 0.02 -0.02 0.00 0.01 -0.02 -0.02 0.02 -0.03 -0.01 0.02 -0.03 -0.02 0.04 0.10 -0.01 0.01 -0.03 0.02 0.02 0.12 -0.08 -0.18 -0.02 0.01 -0.00 -0.04 0.04 0.05 -0.02 0.04 0.02 -0.03 -0.02 0.02 0.27 -0.10 -0.18 -0.02 -0.02 0.02 -0.00 -0.02 -0.04 -0.05 0.06 0.07 -0.04 0.07 0.06 -0.03 -0.03 0.02 -0.04 -0.03 0.05 -0.04 -0.02 0.03 0.23 0.00 0.05 0.07 0.01 0.08 0.15 -0.12 -0.28 -0.02 -0.08 -0.22 -0.05 0.04 0.06 -0.02 0.04 0.01 -0.03 -0.02 0.02 0.27 -0.15 -0.32 0.23 -0.06 -0.08 0.41 -0.11 -0.14 -0.02 -0.01 0.02 -0.06 0.09 0.09 -0.03 -0.03 0.02 -0.06 0.07 -0.03 0.03 -0.02 0.03 0.04 -0.02 0.04 0.05 0.03 0.03 0.12 -0.01 -0.12 -0.03 -0.01 -0.00 -0.03 -0.04 0.03 -0.05 -0.00 0.03 -0.03 -0.02 -0.00 -0.02 0.00 -0.04 0.08 0.00 -0.12 -0.03 -0.02 0.01 0.12 -0.08 0.15 -0.01 -0.00 0.01 -0.06 -0.02 0.00 -0.01 0.03 -0.00 -0.02 0.04 -0.10 0.07 -0.07 0.14 -0.04 -0.03 0.07 0.03 -0.00 0.03 -0.07 0.01 -0.01 -0.05 0.03 -0.02 -0.03 0.04 -0.08 -0.04 -0.05 0.04 -0.10 0.09 -0.09 -0.12 0.06 -0.19 0.23 0.02 -0.27 -0.02 -0.09 0.30 0.33 -0.13 0.21 -0.08 -0.04 0.01 0.00 0.05 -0.01 -0.00 0.06 -0.17 0.10 -0.13 0.34 0.21 -0.05 -0.01 -0.14 -0.02 0.08 -0.05 -0.07 0.15 -0.09 0.01 -0.02 -0.03 0.07 -0.13 0.02 0.01 0.17 -0.15 0.07 -0.15 -0.07 0.04 -0.11 -0.15 0.04 -0.02 0.08 0.01 -0.09 0.03 -0.03 0.01 0.01 0.04 -0.18 0.03 -0.14 0.34 0.04 0.01 -0.10 0.07 0.00 -0.10 0.03 0.00 -0.07 0.02 0.02 -0.15 0.04 0.00 0.06 -0.03 0.02 -0.08 0.07 -0.00 -0.15 -0.03 0.02 0.02 0.04 -0.03 0.03 -0.02 0.00 0.08 0.03 -0.10 0.20 -0.10 0.04 -0.09 0.08 -0.01 -0.06 0.02 0.00 0.03 0.03 -0.10 0.23 0.07 -0.01 -0.11 0.08 0.01 -0.09 -0.06 -0.00 -0.10 0.08 0.01 -0.12 -0.01 0.01 0.13 0.14 -0.00 0.09 0.11 -0.01 -0.21 -0.07 0.02 0.08 0.04 0.01 -0.10 -0.02 0.00 0.18 0.03 0.00 0.01 -0.13 0.01 0.05 0.03 -0.11 0.24 0.12 -0.02 -0.06 0.03 -0.13 0.30 -0.03 0.05 0.02 -0.22 -0.19 -0.23 0.40 -0.20 -0.09 0.01 0.16 0.26 0.03 -0.02 0.01 -0.00 0.05 0.02 -0.01 -0.07 0.00 -0.09 0.17 -0.02 0.02 -0.02 0.00 0.08 -0.02 -0.01 -0.01 -0.02 0.01 -0.01 -0.07 -0.02 -0.03 0.03 -0.01 0.00 -0.03 0.02 -0.02 -0.09 -0.07 -0.00 0.01 0.03 0.04 0.07 0.15 -0.08 0.06 -0.05 -0.08 0.11 -0.08 0.04 -0.06 -0.00 -0.03 -0.06 -0.06 -0.02 -0.01 -0.01 -0.01 0.15 0.12 0.11 -0.02 -0.08 0.15 -0.02 0.03 0.01 -0.04 0.02 -0.04 -0.04 0.03 0.01 0.07 0.01 -0.03 0.02 -0.01 -0.03 -0.13 -0.10 0.00 0.05 0.06 0.09 0.04 0.24 -0.09 0.10 -0.06 -0.11 0.02 -0.07 -0.08 0.08 -0.05 -0.13 0.10 -0.19 -0.04 -0.08 -0.10 -0.00 0.19 0.19 -0.05 0.13 0.14 0.17 0.02 0.12 -0.14 0.00 0.07 0.07 -0.11 -0.13 0.07 -0.07 -0.04 0.01 0.02 0.01 -0.00 -0.09 -0.05 -0.08 0.15 -0.06 0.04 -0.05 -0.03 0.12 -0.05 -0.04 0.00 -0.05 -0.04 0.00 -0.10 -0.09 -0.01 0.00 0.01 0.01 -0.06 -0.05 -0.01 -0.12 -0.13 -0.00 -0.00 0.00 0.06 0.03 0.17 -0.11 0.05 -0.07 -0.07 0.09 -0.13 0.03 -0.04 -0.00 -0.02 -0.06 -0.07 -0.02 0.01 0.01 -0.00 0.12 0.14 0.14 -0.06 -0.12 0.18 -0.04 0.00 -0.04 -0.05 -0.06 0.00 -0.08 -0.08 -0.01 0.07 0.10 0.05 -0.05 0.03 -0.01 -0.16 -0.17 0.00 0.04 0.05 0.11 -0.01 0.30 -0.12 0.09 -0.02 -0.11 -0.01 -0.17 -0.19 0.12 -0.09 -0.12 0.10 -0.28 -0.04 -0.06 -0.08 0.01 0.16 0.23 0.01 -0.03 -0.02 -0.04 0.02 -0.02 -0.01 0.03 -0.02 -0.04 0.02 0.01 0.03 -0.01 -0.02 -0.00 -0.02 0.02 -0.00 0.03 0.01 0.03 -0.02 -0.10 -0.01 0.00 0.03 -0.02 0.01 0.03 0.02 0.01 -0.07 -0.00 0.04 0.02 0.05 -0.07 0.11 -0.01 0.03 0.01 0.00 0.05 0.04 -0.01 0.01 0.00 -0.02 -0.09 0.15 0.01 0.03 -0.10 0.03 0.03 -0.12 -0.02 0.02 -0.01 0.01 0.03 0.03 0.00 0.01 0.01 -0.00 -0.09 0.08 -0.03 -0.01 0.06 -0.05 0.05 0.01 -0.13 0.10 -0.12 0.14 0.01 -0.21 -0.06 -0.01 0.34 0.23 -0.26 0.16 0.00 0.06 0.05 -0.01 -0.01 -0.01 -0.06 -0.13 0.28 0.04 -0.05 0.06 0.16 -0.03 -0.35 -0.20 0.23 -0.16 0.05 0.09 -0.24 0.01 0.03 0.04 -0.01 -0.14 0.14 0.00 -0.01 -0.01 0.01 -0.01 0.02 0.01 -0.00 0.01 0.01 -0.00 0.01 0.00 0.03 -0.12 -0.01 0.01 -0.01 -0.00 0.00 0.03 0.01 -0.00 -0.02 -0.01 0.02 -0.02 -0.02 0.06 -0.07 -0.01 0.04 -0.12 -0.00 0.01 0.02 -0.02 0.05 -0.13 -0.00 0.00 0.01 -0.00 0.01 0.03 0.00 -0.00 0.01 -0.02 -0.05 0.12 0.03 -0.10 0.18 0.00 0.04 -0.09 0.01 -0.00 0.01 -0.00 0.01 0.02 -0.00 -0.00 0.01 -0.01 -0.06 0.11 -0.03 0.06 -0.06 -0.03 0.10 -0.08 -0.00 0.03 -0.12 -0.03 0.03 -0.11 0.01 -0.07 -0.33 -0.08 0.28 -0.14 -0.00 0.02 0.04 0.00 -0.01 -0.00 -0.04 -0.07 0.20 0.02 -0.07 0.14 -0.04 0.02 0.44 0.15 -0.36 0.22 0.01 0.08 -0.20 -0.00 0.01 0.03 -0.01 -0.10 0.20 -0.04 0.03 -0.03 -0.07 0.05 -0.04 -0.06 0.01 -0.01 -0.09 -0.01 0.02 0.26 -0.08 -0.01 0.02 -0.07 0.12 -0.00 -0.02 0.01 0.03 -0.01 -0.10 0.02 -0.06 0.09 0.06 -0.06 0.09 0.13 -0.05 -0.01 -0.01 -0.00 -0.00 0.07 0.15 -0.09 -0.01 -0.01 -0.02 -0.04 0.03 0.04 -0.01 -0.01 -0.02 0.02 -0.05 0.04 -0.09 0.11 0.03 0.03 -0.04 0.03 -0.05 0.01 -0.01 -0.04 0.03 0.04 -0.03 0.01 -0.00 0.02 -0.01 -0.09 0.03 -0.15 0.21 -0.05 0.04 0.02 0.20 -0.12 0.01 0.00 -0.12 0.05 0.20 0.17 -0.23 -0.03 0.30 -0.12 -0.05 0.05 0.08 -0.01 -0.02 -0.04 0.01 -0.07 0.08 -0.16 0.31 -0.08 -0.30 0.06 0.21 0.06 -0.06 0.08 0.04 -0.04 0.05 -0.05 0.06 0.08 0.02 0.01 -0.18 0.06 -0.04 -0.03 0.02 0.13 -0.05 -0.01 -0.01 0.03 -0.01 0.05 0.02 -0.00 -0.15 -0.03 -0.00 -0.02 -0.03 0.03 -0.02 -0.09 -0.13 0.10 0.07 0.02 -0.08 -0.03 0.00 -0.11 0.01 -0.05 -0.13 -0.07 0.03 0.03 -0.01 -0.05 -0.12 -0.05 0.03 -0.01 -0.07 0.02 0.14 0.16 0.04 -0.02 -0.06 0.06 0.07 -0.00 -0.07 -0.13 -0.03 -0.12 -0.00 0.01 0.01 0.03 -0.03 0.02 0.16 0.21 0.04 0.04 0.05 -0.02 0.15 0.06 -0.00 -0.09 0.03 -0.01 -0.11 -0.00 -0.07 -0.10 -0.08 -0.04 -0.15 -0.11 -0.06 -0.12 -0.05 -0.04 -0.11 -0.04 0.01 0.21 0.26 0.04 -0.08 -0.13 0.15 0.08 -0.04 -0.08 -0.11 -0.01 -0.08 -0.13 -0.02 -0.08 -0.15 -0.03 -0.18 -0.07 0.00 0.00 0.24 0.34 0.00 0.23 0.10 0.04 -0.00 -0.02 -0.05 -0.06 0.01 -0.01 0.16 -0.14 -0.05 -0.04 -0.04 -0.06 -0.10 -0.01 0.03 -0.04 0.18 0.02 0.02 0.05 -0.00 0.09 -0.07 0.03 -0.04 0.13 0.02 -0.01 0.08 -0.08 -0.04 -0.14 0.02 0.04 0.03 -0.06 -0.10 -0.06 0.01 0.10 0.12 0.04 -0.04 -0.10 0.01 0.10 0.14 0.04 0.03 0.06 -0.03 -0.15 0.03 -0.00 -0.00 0.10 -0.02 0.05 0.00 0.05 -0.07 -0.12 0.03 0.02 0.02 0.03 0.11 -0.10 0.03 0.05 0.04 0.05 0.03 0.11 -0.17 0.08 -0.16 -0.02 -0.09 -0.27 -0.12 -0.15 -0.07 -0.01 -0.07 -0.05 0.06 -0.10 -0.20 -0.01 0.14 0.21 0.07 0.02 0.08 -0.02 -0.19 0.08 0.01 -0.09 0.06 -0.06 -0.21 0.02 -0.02 -0.04 0.16 0.08 -0.15 -0.25 0.04 0.18 -0.23 0.02 -0.06 -0.10 -0.00 -0.15 0.11 0.03 0.14 -0.08 0.03 -0.03 -0.04 0.13 -0.02 -0.02 -0.03 0.01 -0.20 0.01 -0.03 -0.09 -0.09 -0.03 0.10 -0.02 -0.04 -0.13 -0.01 -0.09 -0.05 0.09 -0.07 0.09 -0.01 0.02 0.04 0.05 0.04 0.01 -0.03 0.12 0.18 0.00 0.00 0.01 -0.04 0.16 0.24 -0.00 0.01 -0.06 -0.05 0.08 -0.03 -0.08 -0.01 -0.09 0.00 0.03 0.06 -0.00 0.02 0.03 -0.02 0.08 0.12 -0.04 -0.02 0.12 -0.03 -0.16 0.04 -0.09 -0.09 -0.11 0.17 -0.20 0.11 -0.00 -0.05 0.21 0.14 0.10 -0.02 -0.01 0.06 -0.01 0.01 -0.05 -0.08 -0.05 0.20 0.30 0.03 0.02 -0.10 -0.09 0.19 -0.11 -0.17 0.00 -0.01 0.02 0.08 -0.01 -0.11 -0.02 -0.15 0.01 -0.04 -0.06 -0.04 -0.02 0.26 -0.05 0.24 -0.20 -0.15 0.03 -0.05 -0.15 0.02 -0.03 -0.25 -0.23 0.13 -0.10 0.03 0.00 0.11 0.07 -0.13 0.10 -0.12 0.09 0.11 0.01 0.07 0.11 0.01 -0.06 0.11 0.03 -0.10 -0.05 0.01 0.03 0.08 -0.11 0.09 -0.03 -0.05 0.03 0.09 -0.10 0.09 -0.01 -0.07 0.12 0.09 -0.05 0.08 0.13 0.05 -0.05 0.04 -0.04 -0.01 0.11 0.04 -0.05 -0.08 -0.08 0.04 -0.04 -0.02 0.12 0.01 -0.00 0.07 0.12 0.01 0.07 0.15 0.11 -0.23 0.24 -0.07 -0.02 -0.05 0.00 0.03 -0.03 0.04 0.04 -0.07 -0.06 0.06 -0.02 -0.10 0.03 -0.05 -0.10 0.15 0.13 -0.04 0.06 0.14 0.06 -0.08 0.06 -0.13 0.03 0.12 -0.01 -0.07 -0.02 0.02 -0.03 0.11 0.05 -0.08 -0.08 0.01 0.14 0.12 -0.01 0.16 -0.10 -0.11 -0.03 -0.01 -0.07 0.05 -0.01 -0.07 0.06 0.05 0.07 -0.05 -0.06 0.02 0.00 0.09 0.00 0.11 -0.01 -0.04 -0.14 0.14 0.02 -0.04 0.08 0.01 -0.05 0.20 0.03 -0.10 -0.04 0.02 0.00 -0.03 -0.03 -0.12 -0.03 -0.01 0.01 -0.09 0.01 -0.02 -0.07 0.04 -0.02 -0.12 0.10 0.10 0.09 0.01 0.05 0.03 -0.02 0.00 0.14 0.01 0.06 -0.03 -0.01 -0.00 -0.10 0.14 0.12 -0.13 0.11 0.12 0.12 0.02 -0.06 0.26 0.10 -0.33 0.40 -0.02 0.04 -0.04 0.02 0.00 -0.03 0.02 -0.00 -0.05 -0.02 0.02 -0.02 -0.03 0.01 -0.09 0.02 -0.03 -0.11 0.13 0.12 0.09 -0.00 0.08 0.06 -0.11 0.08 0.13 0.02 -0.06 -0.06 0.01 -0.02 0.15 0.02 0.10 -0.09 0.17 0.18 0.11 0.02 -0.14 -0.06 0.00 0.02 -0.02 -0.07 0.04 -0.01 -0.04 0.03 0.02 0.03 -0.01 0.07 -0.14 0.10 0.03 0.21 -0.17 -0.01 0.11 -0.04 0.16 -0.02 0.09 0.03 0.07 0.07 0.01 -0.06 0.22 0.00 -0.05 -0.12 -0.01 0.04 0.02 0.00 -0.07 -0.06 -0.05 0.00 0.01 -0.02 0.02 -0.01 -0.04 -0.03 -0.05 -0.01 0.10 -0.10 -0.09 -0.09 -0.01 0.14 0.15 -0.05 -0.02 -0.01 0.02 -0.02 -0.01 -0.06 -0.04 -0.03 -0.06 0.06 -0.04 0.06 -0.02 -0.06 0.32 -0.10 -0.05 0.15 -0.09 0.14 -0.14 0.06 -0.15 -0.30 -0.02 -0.08 -0.04 0.05 -0.05 -0.04 -0.03 0.02 0.00 -0.03 -0.03 -0.06 -0.08 0.13 -0.17 -0.12 0.02 -0.04 -0.19 -0.12 0.06 -0.05 -0.18 0.00 0.21 0.21 -0.05 -0.00 -0.03 -0.07 0.04 -0.17 0.14 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 0.01 -0.00 0.02 0.00 0.00 0.00 -0.01 0.04 -0.08 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.02 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.03 -0.01 -0.02 0.02 0.10 -0.03 0.05 -0.07 -0.02 0.08 0.03 0.02 -0.16 -0.07 0.12 -0.09 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.10 -0.24 0.54 0.42 0.14 -0.27 -0.51 0.06 -0.12 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.13 -0.17 0.12 0.07 0.20 -0.07 0.10 0.25 -0.18 -0.02 0.01 0.03 0.01 0.00 -0.05 0.06 0.03 -0.09 0.04 -0.21 0.28 0.06 0.00 0.04 0.04 -0.04 0.03 0.06 0.01 -0.08 0.01 -0.06 0.07 -0.02 -0.05 0.13 -0.00 -0.04 0.01 0.07 0.04 0.03 -0.18 -0.03 0.06 0.02 0.00 -0.12 0.08 0.03 -0.05 -0.02 -0.03 -0.02 0.06 0.02 -0.05 0.08 0.11 -0.01 -0.18 0.01 -0.07 -0.12 0.01 -0.15 0.07 0.01 0.04 0.07 0.03 -0.13 0.11 0.01 -0.04 0.09 -0.19 0.09 -0.04 -0.01 0.20 0.04 -0.02 -0.02 -0.05 -0.04 -0.01 -0.27 -0.07 0.13 0.09 0.03 -0.19 0.09 0.04 -0.08 -0.02 -0.04 0.04 0.01 -0.04 -0.07 -0.09 -0.00 -0.03 0.06 0.03 -0.07 -0.25 0.03 -0.09 0.07 -0.01 0.10 0.02 0.00 -0.01 0.01 0.02 -0.02 0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.16 0.03 0.05 -0.02 0.02 0.02 -0.01 -0.00 0.02 0.00 -0.01 -0.01 -0.02 0.02 -0.01 0.01 0.03 -0.04 0.19 -0.02 -0.02 -0.01 -0.01 -0.00 0.20 -0.07 -0.06 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.02 -0.04 0.00 0.01 -0.18 -0.04 0.02 -0.00 0.01 0.02 0.01 -0.00 -0.01 0.00 0.00 0.02 0.01 0.01 0.03 -0.02 -0.01 -0.02 0.05 0.09 -0.19 0.15 -0.02 0.06 0.28 0.07 0.01 0.25 0.08 0.03 0.27 0.02 -0.02 0.25 0.01 -0.05 0.01 -0.02 -0.02 -0.00 0.01 0.02 -0.06 0.00 0.02 -0.27 0.27 0.18 -0.33 -0.19 -0.02 -0.34 -0.18 -0.02 0.01 0.02 0.03 -0.00 0.00 0.01 -0.03 -0.03 -0.03 0.02 -0.06 -0.03 0.09 0.24 -0.17 0.05 -0.08 -0.01 -0.00 -0.10 -0.01 0.01 -0.03 0.11 -0.05 0.06 -0.05 -0.04 -0.04 0.03 -0.01 -0.03 0.01 -0.02 -0.01 0.05 -0.00 -0.03 0.13 -0.04 0.09 -0.10 -0.01 -0.11 -0.04 -0.02 0.07 -0.01 0.06 -0.05 -0.06 -0.02 -0.12 -0.07 -0.00 0.14 0.21 -0.09 0.01 -0.04 0.06 0.05 0.03 -0.02 0.03 -0.02 0.08 -0.04 -0.08 -0.04 -0.01 0.04 -0.03 0.14 0.20 -0.06 -0.05 0.00 -0.00 -0.05 0.14 -0.02 -0.05 0.12 -0.18 0.31 -0.14 0.03 -0.03 -0.34 -0.09 0.03 0.02 0.05 0.06 0.01 -0.02 -0.18 -0.15 -0.01 0.21 0.30 -0.13 0.02 -0.05 0.08 -0.00 -0.03 0.07 0.10 0.09 0.13 0.03 0.05 0.01 0.06 -0.01 -0.07 -0.05 -0.05 -0.07 -0.09 0.01 -0.04 -0.01 0.01 -0.01 -0.05 0.04 -0.00 0.04 -0.01 -0.00 0.01 0.02 -0.12 -0.00 0.16 0.06 -0.13 -0.07 0.05 -0.02 -0.04 -0.07 0.00 0.01 0.03 -0.07 -0.02 -0.02 -0.05 0.08 0.02 0.14 -0.13 0.02 0.00 -0.01 0.06 0.11 -0.02 0.00 0.01 0.01 -0.01 0.02 0.00 0.00 -0.03 -0.05 0.14 -0.05 -0.03 0.05 0.10 0.06 -0.05 -0.11 -0.06 -0.01 0.01 0.02 -0.02 0.02 -0.01 -0.02 -0.02 -0.05 0.05 0.04 0.03 -0.00 -0.02 0.02 0.03 -0.16 0.10 -0.12 0.46 -0.17 0.15 0.03 -0.42 -0.01 0.09 0.05 0.18 0.12 0.02 -0.03 0.02 0.02 0.02 -0.03 -0.08 0.24 -0.04 -0.06 0.04 0.12 0.03 0.01 0.12 0.12 0.09 0.03 0.07 -0.13 -0.18 -0.09 -0.01 0.04 0.03 0.07 0.14 0.08 0.04 0.02 -0.00 0.03 -0.03 0.08 0.06 0.16 -0.09 -0.02 -0.02 0.09 0.02 -0.04 0.07 -0.09 0.08 0.04 -0.08 -0.03 -0.12 -0.01 -0.04 -0.02 -0.03 0.01 -0.03 0.21 -0.04 -0.01 -0.03 0.03 -0.05 -0.04 -0.07 -0.06 -0.03 0.03 0.00 -0.00 -0.00 0.01 0.00 -0.05 0.01 0.03 -0.10 -0.10 -0.17 0.00 -0.00 0.04 0.02 0.01 -0.02 0.05 0.04 0.03 0.04 0.06 -0.01 0.01 0.12 0.04 -0.05 -0.02 -0.11 -0.07 -0.05 0.29 -0.06 -0.28 0.43 -0.04 0.14 -0.11 0.14 -0.08 -0.00 -0.06 -0.19 -0.06 0.02 0.02 0.01 0.02 0.01 0.02 -0.02 0.02 0.01 -0.16 -0.16 -0.24 -0.00 0.04 0.06 -0.03 -0.02 0.06 0.06 0.05 0.08 0.02 0.02 0.04 0.10 0.07 -0.05 0.11 0.25 -0.12 -0.15 -0.09 0.09 0.05 -0.02 -0.15 -0.04 -0.08 -0.17 -0.00 0.04 0.14 0.38 -0.25 0.00 -0.04 0.05 -0.03 0.03 -0.08 0.00 -0.20 0.26 -0.02 -0.04 0.02 -0.00 -0.06 0.06 0.18 -0.03 -0.03 -0.01 0.01 -0.03 -0.03 -0.05 0.08 -0.01 0.03 0.00 -0.02 0.01 -0.00 -0.01 -0.07 0.07 0.03 -0.06 0.09 -0.04 0.01 -0.07 0.03 0.03 0.01 -0.02 0.00 -0.05 -0.11 0.09 -0.09 0.01 -0.14 0.07 0.07 -0.08 0.09 -0.04 -0.04 0.01 0.25 -0.03 -0.27 0.39 -0.01 0.13 -0.06 0.08 -0.04 0.00 -0.04 -0.11 -0.02 0.03 0.02 0.02 0.03 0.01 0.04 -0.03 0.05 -0.02 -0.10 0.10 -0.04 0.01 -0.08 0.04 -0.01 -0.01 0.05 0.05 0.03 0.05 0.03 0.02 -0.02 0.01 -0.06 0.01 -0.17 0.03 -0.04 -0.07 0.05 0.20 -0.03 0.06 -0.08 -0.12 0.01 -0.09 -0.10 0.11 -0.08 -0.11 0.05 0.01 -0.03 0.03 -0.03 0.02 -0.04 0.01 -0.08 0.13 -0.03 -0.03 0.01 -0.00 -0.03 0.03 0.14 -0.02 -0.03 -0.01 -0.00 -0.02 -0.01 0.03 0.03 -0.01 0.01 0.00 0.03 0.04 -0.01 -0.09 0.07 -0.01 -0.00 0.24 -0.14 -0.05 0.00 -0.04 0.02 0.01 0.01 -0.03 0.00 -0.02 -0.03 -0.06 0.03 -0.08 0.21 -0.18 0.00 0.25 -0.18 -0.04 -0.03 -0.00 0.20 -0.03 -0.23 0.31 -0.00 0.10 -0.03 0.04 -0.02 -0.00 -0.04 -0.06 -0.01 0.01 0.01 0.01 0.01 0.01 -0.18 0.01 0.04 0.08 0.30 -0.16 -0.06 0.00 -0.04 0.02 -0.01 -0.01 0.03 0.03 0.01 0.03 0.01 0.01 -0.02 0.01 -0.02 -0.22 0.22 -0.25 -0.05 -0.05 0.01 -0.08 0.01 0.01 0.02 0.08 -0.05 0.04 -0.07 0.03 0.00 -0.06 -0.03 0.01 -0.03 0.02 -0.02 -0.01 0.00 0.02 0.06 -0.06 -0.04 -0.02 -0.01 -0.00 0.01 -0.03 0.18 -0.02 -0.05 -0.01 -0.01 -0.02 0.01 0.12 0.11 -0.01 0.01 0.00 -0.01 0.04 0.05 0.01 0.17 0.19 -0.02 0.03 0.12 -0.04 -0.02 -0.01 0.01 0.00 0.00 -0.04 -0.02 0.00 0.01 -0.02 -0.02 0.07 -0.10 -0.15 0.00 -0.11 -0.09 -0.04 -0.02 -0.02 0.26 -0.03 -0.31 0.40 -0.01 0.11 -0.03 0.03 -0.02 -0.01 -0.04 -0.06 -0.02 0.01 0.01 0.00 0.00 0.00 0.01 0.26 0.31 -0.05 0.10 0.22 -0.03 -0.03 0.02 0.02 -0.02 -0.01 0.02 0.02 0.01 0.02 0.00 0.01 -0.05 -0.03 0.01 0.14 -0.22 -0.29 -0.04 -0.02 -0.02 0.12 0.03 0.02 0.01 0.01 -0.00 -0.01 0.03 -0.03 0.01 0.03 0.01 -0.07 -0.02 -0.00 0.01 0.04 0.05 -0.10 -0.12 -0.15 0.10 0.04 -0.00 -0.01 -0.03 -0.09 -0.14 -0.07 -0.01 0.01 -0.00 -0.02 -0.09 -0.12 -0.03 0.02 0.04 0.01 -0.03 -0.04 -0.03 -0.12 0.01 0.22 -0.04 0.07 0.08 0.03 0.04 0.06 0.03 0.05 0.02 0.09 0.05 0.05 0.01 -0.00 -0.00 -0.08 -0.11 -0.06 0.03 -0.07 -0.13 0.07 0.03 -0.00 -0.21 -0.03 0.19 -0.31 -0.17 -0.14 0.00 0.03 -0.02 0.02 -0.00 -0.04 0.03 0.04 0.01 0.05 0.06 0.02 -0.15 0.15 0.42 -0.09 0.19 0.29 0.00 0.04 0.06 0.03 0.03 0.01 0.04 0.06 0.02 0.04 0.06 0.02 0.13 0.08 0.08 -0.17 -0.11 -0.11 0.06 -0.00 -0.04 0.01 0.00 0.01 -0.14 0.10 -0.06 0.09 -0.03 0.12 0.06 -0.12 -0.17 -0.12 -0.11 -0.05 -0.01 0.04 0.03 -0.01 -0.02 -0.08 0.06 0.02 -0.00 -0.02 -0.04 -0.05 -0.06 -0.10 -0.05 0.02 -0.10 -0.04 -0.03 0.08 0.16 0.03 0.07 0.03 -0.03 0.15 0.24 -0.00 -0.08 -0.08 0.02 -0.07 -0.11 -0.02 0.03 0.05 0.07 0.12 0.04 0.05 0.05 0.04 0.00 0.04 0.06 -0.03 0.03 0.06 -0.00 0.01 -0.00 0.02 0.01 -0.01 -0.06 -0.02 -0.05 -0.05 -0.14 -0.05 0.03 -0.14 -0.04 -0.00 -0.09 -0.00 0.08 0.12 0.04 0.08 0.12 0.05 0.03 -0.26 -0.33 0.08 -0.24 -0.38 -0.04 0.03 0.06 0.10 0.03 -0.01 0.12 0.16 0.05 0.12 0.16 0.06 0.08 0.07 0.08 -0.05 0.04 0.05 0.01 -0.02 -0.04 0.14 0.05 -0.00 0.01 0.12 0.08 0.17 -0.07 -0.02 -0.07 -0.06 -0.10 0.14 0.11 0.06 0.04 -0.09 -0.04 -0.14 0.03 -0.01 -0.01 -0.00 0.01 -0.07 0.06 0.02 0.08 0.09 0.03 -0.02 0.11 0.04 -0.18 0.04 0.04 -0.04 -0.07 -0.04 -0.18 0.08 0.07 -0.11 -0.05 -0.02 -0.14 -0.06 -0.04 0.16 -0.04 -0.05 -0.07 -0.13 -0.05 0.01 -0.10 -0.07 -0.05 0.03 0.01 -0.09 -0.08 0.07 -0.01 -0.05 0.03 0.09 0.03 0.03 0.12 -0.04 -0.06 0.17 0.16 0.09 -0.05 0.17 0.03 0.00 0.09 -0.02 -0.10 -0.13 -0.04 -0.09 -0.13 -0.05 -0.04 -0.06 -0.13 -0.21 -0.20 -0.11 0.27 -0.03 -0.07 -0.10 -0.04 0.01 -0.12 -0.16 -0.05 -0.13 -0.17 -0.06 -0.05 -0.14 -0.12 -0.12 -0.07 0.06 0.11 0.10 0.09 -0.03 -0.03 0.02 -0.14 -0.02 -0.16 -0.09 0.10 0.11 0.17 -0.03 -0.03 0.16 0.15 0.11 -0.00 -0.02 0.02 0.01 0.03 -0.15 -0.04 -0.00 -0.03 0.03 0.08 -0.14 0.01 0.05 0.02 -0.03 0.17 0.04 0.06 -0.11 0.07 -0.04 -0.08 -0.05 0.11 -0.01 0.13 -0.01 -0.11 0.07 0.11 0.03 -0.01 -0.02 -0.04 0.05 -0.09 -0.15 -0.05 -0.03 -0.03 0.04 0.08 -0.00 0.06 -0.06 0.02 0.00 0.00 0.02 -0.09 -0.03 -0.00 -0.02 -0.03 -0.06 0.19 -0.12 -0.04 -0.08 -0.08 0.30 0.03 0.03 0.12 -0.09 -0.13 -0.16 -0.05 -0.10 -0.15 -0.07 -0.09 -0.18 0.09 0.19 0.10 -0.05 -0.03 -0.05 0.10 -0.12 -0.03 0.02 -0.15 -0.20 -0.05 -0.16 -0.22 -0.07 -0.04 -0.05 0.08 -0.17 0.07 0.02 -0.03 0.01 -0.04 0.04 0.00 -0.00 0.06 -0.04 -0.13 -0.14 0.07 -0.02 0.11 0.03 0.13 -0.07 -0.06 -0.10 0.02 -0.05 -0.03 -0.10 0.23 -0.13 -0.02 -0.01 0.01 -0.06 0.04 0.13 0.06 0.07 0.04 0.01 -0.10 -0.01 -0.08 0.00 0.14 0.02 0.02 0.03 -0.01 -0.06 0.01 -0.07 -0.10 0.06 -0.01 -0.01 -0.04 0.09 -0.02 -0.05 0.03 0.06 0.02 -0.01 -0.06 -0.06 0.09 -0.06 -0.02 -0.09 -0.08 -0.02 -0.04 0.07 0.10 0.05 0.02 0.03 0.14 0.12 -0.23 0.27 0.27 0.20 0.08 -0.25 0.01 -0.04 -0.04 0.14 0.07 0.07 0.02 0.04 0.06 0.03 -0.08 -0.20 -0.05 0.01 -0.09 -0.16 0.17 -0.02 -0.08 0.05 0.00 -0.02 0.06 0.07 0.01 0.07 0.10 0.03 -0.04 -0.08 -0.09 -0.15 -0.17 -0.21 0.06 0.06 0.08 -0.01 0.00 0.00 -0.12 0.01 -0.01 0.07 0.07 0.08 0.06 -0.09 -0.07 -0.05 -0.01 -0.08 0.01 -0.02 0.00 -0.03 0.06 0.01 -0.03 -0.02 0.02 0.02 -0.02 0.20 0.02 0.09 0.07 0.01 -0.05 0.00 0.02 -0.12 -0.20 0.01 0.00 0.02 0.00 -0.02 -0.03 0.01 -0.00 -0.02 -0.02 0.05 0.08 0.02 0.00 -0.09 0.01 0.02 0.01 -0.03 -0.01 -0.08 0.02 0.04 0.07 0.00 0.04 0.07 0.03 -0.11 -0.16 -0.01 -0.02 0.04 0.05 0.18 -0.04 0.10 0.26 0.13 0.07 -0.17 0.02 -0.03 0.02 0.13 0.04 0.03 0.01 0.02 0.02 0.02 -0.02 0.19 0.26 -0.07 0.23 0.35 0.04 0.03 -0.17 0.02 0.01 -0.01 0.02 0.02 -0.00 0.03 0.05 0.01 -0.05 -0.00 -0.17 -0.04 0.24 0.38 -0.00 -0.00 0.08 -0.00 -0.02 0.01 -0.01 0.09 0.20 0.06 -0.15 -0.14 -0.13 0.16 -0.14 -0.04 -0.01 -0.05 0.02 0.02 -0.04 0.08 0.16 -0.15 -0.06 -0.01 -0.02 0.09 0.04 0.04 0.03 0.08 0.07 0.00 -0.03 -0.00 0.15 -0.16 0.12 0.01 0.00 0.01 0.11 -0.11 0.10 0.01 -0.19 0.11 0.13 0.05 0.00 -0.03 -0.05 0.03 0.01 0.01 0.01 -0.05 -0.02 0.03 -0.13 -0.02 -0.02 -0.10 0.05 -0.03 -0.01 0.07 -0.09 -0.05 -0.01 -0.03 0.02 0.19 0.08 0.01 0.13 0.06 0.05 -0.12 0.01 -0.02 0.02 0.09 0.03 0.02 0.01 0.02 0.01 0.01 -0.17 -0.34 0.18 0.27 0.19 -0.02 -0.08 -0.07 0.11 0.01 0.00 -0.01 0.01 0.01 0.00 0.02 0.03 0.01 -0.08 -0.07 0.10 -0.29 0.12 -0.03 -0.05 0.01 -0.03 -0.01 -0.01 -0.01 -0.10 0.01 0.07 0.08 0.05 0.03 -0.00 -0.03 -0.06 -0.00 0.03 -0.01 -0.00 -0.05 0.19 -0.00 -0.04 -0.07 0.00 0.01 -0.02 0.03 -0.05 0.03 -0.00 0.00 -0.00 -0.00 0.03 0.01 0.02 -0.03 -0.01 0.00 -0.00 -0.00 0.04 -0.08 -0.11 0.01 0.04 0.12 0.03 -0.05 -0.09 -0.03 0.07 -0.17 -0.00 -0.01 -0.00 0.00 0.05 -0.07 -0.02 0.03 0.05 0.03 -0.06 -0.13 -0.02 0.16 0.21 -0.02 -0.05 0.11 -0.02 0.04 0.06 -0.05 -0.00 -0.04 0.00 0.03 0.01 0.00 0.04 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.03 0.11 0.07 -0.11 -0.22 -0.02 0.14 -0.39 -0.01 0.01 0.00 -0.01 -0.02 -0.00 -0.01 -0.02 -0.01 0.01 0.14 -0.32 0.06 -0.26 -0.44 -0.02 -0.11 0.22 -0.01 0.00 0.01 0.12 -0.00 -0.05 -0.09 -0.09 -0.06 -0.03 0.06 0.05 0.00 0.03 0.00 -0.01 -0.07 0.23 -0.00 -0.06 -0.07 0.01 0.01 -0.03 0.02 -0.07 0.03 -0.01 -0.01 -0.01 -0.00 0.04 0.01 0.00 0.04 0.07 0.00 -0.00 -0.00 -0.01 0.12 0.18 0.03 -0.05 -0.05 0.01 0.04 0.04 -0.03 0.09 -0.21 -0.01 -0.01 -0.01 0.01 0.06 -0.09 -0.00 -0.04 -0.06 0.00 0.07 0.08 0.03 -0.09 -0.16 -0.01 -0.06 0.14 -0.03 0.02 0.05 -0.06 -0.02 -0.06 -0.01 0.06 0.01 0.01 0.04 0.00 -0.02 -0.02 -0.00 -0.01 -0.02 -0.01 0.04 -0.12 -0.16 0.03 0.03 0.00 -0.02 0.18 -0.48 -0.01 0.01 0.01 -0.02 -0.02 -0.00 -0.02 -0.03 -0.01 0.02 0.18 -0.39 -0.03 0.17 0.23 -0.02 -0.14 0.27 -0.02 -0.00 -0.00 0.02 0.00 -0.01 -0.02 -0.02 -0.01 -0.01 0.01 0.01 -0.01 0.05 -0.03 0.00 0.01 -0.00 -0.03 -0.11 -0.09 0.00 -0.10 0.27 0.03 -0.13 0.13 0.00 0.03 0.03 -0.00 0.06 0.02 -0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.02 0.05 0.06 0.05 0.00 0.05 -0.01 0.01 -0.04 -0.02 -0.03 0.11 -0.01 -0.02 -0.01 0.00 0.08 -0.19 0.00 -0.01 -0.01 0.06 0.01 -0.02 0.02 0.03 0.02 -0.00 0.07 -0.20 -0.01 0.09 0.05 -0.01 0.12 0.02 0.02 0.03 0.03 -0.00 0.09 0.06 -0.02 -0.02 0.01 -0.01 -0.03 -0.00 0.08 -0.02 -0.01 0.00 -0.06 -0.14 -0.03 -0.04 0.13 -0.02 0.02 0.01 -0.03 -0.04 -0.01 -0.02 -0.03 -0.01 0.01 0.17 -0.43 0.05 -0.04 -0.11 0.00 0.19 -0.60 -0.06 0.00 -0.01 -0.07 0.09 0.04 -0.02 0.00 -0.11 0.11 0.00 0.01 0.02 -0.02 0.03 -0.03 -0.03 0.01 -0.11 -0.01 0.11 0.04 0.02 -0.02 -0.14 0.06 -0.06 -0.03 -0.05 -0.05 0.00 -0.02 -0.01 -0.07 -0.12 0.08 -0.01 0.00 -0.00 -0.15 -0.13 0.01 0.33 -0.18 0.14 -0.23 0.16 -0.11 0.05 0.02 -0.00 0.00 0.01 0.00 0.04 -0.03 0.01 -0.02 -0.09 0.06 0.26 0.16 -0.04 0.08 0.09 -0.08 0.06 0.02 0.02 0.02 -0.19 -0.17 0.07 -0.04 0.03 -0.03 0.03 -0.02 0.01 -0.06 -0.07 -0.00 0.00 -0.01 -0.01 0.01 -0.00 0.34 -0.17 0.15 -0.22 0.22 -0.05 0.12 0.02 -0.02 0.01 -0.01 -0.00 0.01 0.02 0.00 0.01 0.01 0.00 0.05 -0.01 0.01 0.07 0.23 -0.04 0.06 0.01 0.05 -0.03 -0.00 -0.00 0.03 -0.01 -0.03 -0.02 -0.01 0.01 -0.02 0.00 0.01 -0.02 0.07 -0.06 0.01 0.08 -0.19 -0.05 -0.16 -0.13 -0.00 0.05 -0.17 0.06 -0.19 0.22 0.01 0.07 0.07 -0.00 0.08 0.03 -0.03 -0.01 -0.02 0.01 -0.01 -0.00 -0.04 0.08 0.06 0.06 0.02 0.05 -0.02 0.02 -0.06 -0.01 -0.00 0.01 -0.01 -0.02 -0.01 -0.01 -0.04 0.16 0.01 0.01 -0.02 0.08 0.01 -0.03 0.04 0.04 0.03 -0.01 -0.05 0.09 -0.01 0.18 0.10 -0.02 0.21 0.04 0.05 0.00 0.04 -0.02 0.13 0.11 -0.03 -0.02 0.02 0.00 -0.04 -0.00 0.11 0.01 -0.03 -0.03 -0.09 -0.18 -0.05 -0.02 0.07 -0.02 0.03 0.01 -0.04 -0.04 -0.01 -0.03 -0.04 -0.01 -0.01 -0.18 0.57 0.09 -0.06 -0.13 -0.01 -0.12 0.29 0.11 0.04 -0.01 -0.10 0.17 0.04 -0.07 -0.02 -0.21 0.29 -0.03 0.10 -0.02 0.01 -0.02 0.06 0.04 0.00 0.21 -0.04 -0.00 -0.06 -0.02 -0.01 0.22 -0.05 0.02 0.03 0.03 0.03 -0.00 0.02 0.01 0.12 0.05 -0.04 0.01 -0.00 0.00 -0.17 -0.14 0.13 -0.07 0.15 -0.08 -0.24 -0.14 0.03 -0.07 -0.02 -0.01 0.00 -0.00 -0.00 -0.05 0.05 0.02 -0.06 -0.20 0.11 -0.05 0.08 -0.08 -0.22 -0.07 0.03 -0.08 -0.04 -0.01 -0.05 0.22 0.28 -0.18 -0.08 -0.13 0.02 -0.00 0.01 -0.00 0.04 0.04 0.01 0.00 0.01 0.01 -0.01 0.00 -0.19 0.03 -0.07 -0.18 -0.14 -0.05 -0.19 -0.02 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.08 0.02 0.01 0.13 0.02 -0.07 -0.09 -0.04 -0.02 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.02 0.00 -0.01 0.00 -0.00 -0.01 0.03 0.02 0.01 -0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.00 0.03 -0.12 0.00 0.00 0.00 -0.00 -0.01 0.03 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.05 -0.01 0.03 0.05 -0.02 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.00 0.00 0.01 0.00 0.01 0.00 0.01 -0.01 -0.01 -0.02 -0.05 -0.27 0.85 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 0.05 -0.17 0.00 -0.01 -0.01 -0.01 -0.11 0.35 0.00 0.01 -0.00 0.10 -0.05 -0.09 0.01 0.03 0.07 -0.08 0.01 -0.01 -0.03 -0.05 0.01 0.08 0.02 0.04 0.05 -0.06 0.06 -0.08 -0.02 -0.01 0.17 0.22 -0.14 0.06 0.14 0.10 0.00 -0.11 -0.04 -0.00 -0.12 -0.12 0.00 -0.00 0.01 -0.11 0.11 0.13 0.04 -0.04 0.11 -0.14 0.02 -0.08 -0.00 -0.08 0.02 0.01 0.02 0.01 -0.06 -0.01 -0.01 0.02 0.05 -0.03 0.03 -0.05 -0.03 0.00 0.03 0.05 -0.05 -0.03 0.00 -0.03 0.31 0.38 -0.19 -0.07 -0.08 0.03 -0.16 -0.03 -0.03 -0.09 0.03 0.06 0.05 0.01 0.04 0.03 0.02 0.04 0.02 0.19 -0.17 -0.15 -0.24 -0.08 0.02 -0.33 0.02 -0.04 -0.03 0.04 0.05 0.01 0.04 0.06 0.02 -0.13 -0.06 -0.04 -0.04 -0.04 -0.06 -0.04 0.09 -0.13 0.02 0.01 -0.00 0.02 -0.05 -0.03 0.06 0.09 0.09 -0.06 -0.00 -0.03 -0.01 0.01 -0.01 0.04 0.01 0.01 0.08 -0.02 -0.05 -0.02 -0.01 0.00 0.10 -0.04 0.00 0.03 0.00 0.01 -0.00 0.03 -0.01 -0.01 0.11 0.22 -0.00 0.01 -0.03 -0.05 -0.14 -0.20 0.03 -0.08 0.01 -0.15 0.04 0.02 -0.03 -0.01 -0.00 -0.00 -0.00 -0.01 -0.02 0.03 0.01 0.01 0.04 -0.02 -0.02 0.05 0.09 -0.02 -0.07 -0.08 -0.03 -0.02 -0.01 -0.02 0.11 0.15 -0.09 -0.06 -0.08 0.13 -0.04 0.04 -0.10 0.02 0.11 -0.12 0.05 0.17 0.15 -0.16 0.02 0.07 -0.41 -0.43 -0.23 0.17 0.27 -0.08 -0.01 -0.00 0.00 -0.00 0.04 -0.00 0.06 0.09 0.00 -0.12 -0.00 -0.04 0.01 -0.01 -0.02 -0.08 -0.13 -0.03 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.02 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.02 -0.03 -0.00 -0.01 -0.02 -0.02 0.03 -0.06 0.01 0.02 0.02 -0.00 0.01 -0.00 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.04 -0.01 0.01 -0.01 0.02 0.32 -0.11 0.08 -0.26 -0.02 0.22 -0.30 0.13 0.43 0.38 -0.36 0.06 -0.01 0.05 0.04 0.03 -0.02 -0.03 0.01 0.00 0.00 0.02 -0.05 0.09 0.01 0.18 0.22 0.03 -0.28 -0.00 0.01 -0.00 -0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.04 0.01 -0.00 0.09 -0.04 -0.09 0.04 0.05 0.07 -0.08 0.03 -0.04 0.02 0.02 -0.01 -0.03 -0.02 -0.02 0.12 0.16 0.03 0.03 0.02 0.01 -0.03 -0.13 0.08 -0.05 -0.14 -0.11 -0.00 0.08 0.03 0.10 -0.08 -0.03 0.00 0.01 -0.01 -0.07 -0.04 0.11 0.04 -0.08 0.00 -0.13 -0.05 -0.01 -0.03 0.04 0.01 -0.00 -0.01 -0.01 0.02 0.03 0.01 0.01 0.03 -0.01 -0.01 -0.00 -0.10 -0.12 0.01 0.06 -0.01 0.01 0.00 -0.00 -0.24 -0.25 0.09 -0.08 -0.01 -0.02 0.12 0.03 0.01 0.05 -0.03 -0.06 -0.02 0.03 -0.00 -0.06 -0.01 -0.17 0.16 0.58 -0.11 -0.08 -0.09 -0.00 0.03 0.05 -0.01 0.04 0.04 -0.03 -0.01 0.02 -0.03 -0.08 -0.02 0.06 0.05 0.02 -0.09 0.25 0.28 -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 -0.02 0.05 0.00 0.00 0.00 0.00 -0.01 0.04 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 0.06 -0.16 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.04 -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 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.31 0.85 -0.00 -0.01 -0.01 -0.02 -0.13 0.36 -0.01 -0.01 -0.00 -0.03 0.01 0.03 -0.01 -0.01 -0.02 0.03 -0.02 0.02 -0.01 -0.00 -0.01 0.03 0.01 0.01 0.02 -0.02 -0.03 -0.02 -0.01 0.00 0.05 -0.00 -0.01 0.03 0.01 0.01 -0.01 0.01 0.00 -0.04 0.09 0.10 0.01 -0.00 0.00 -0.00 0.03 -0.07 -0.00 -0.08 -0.09 -0.01 0.06 -0.04 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 0.00 -0.01 0.00 -0.13 -0.04 0.07 0.05 0.04 -0.01 -0.01 -0.01 -0.01 0.07 0.12 -0.06 -0.05 -0.06 0.01 -0.01 0.00 -0.01 0.02 0.02 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.04 0.37 0.50 -0.07 0.03 0.01 -0.04 -0.01 -0.01 -0.00 0.03 0.01 -0.01 -0.02 -0.01 -0.01 0.00 -0.00 -0.03 -0.01 0.01 -0.16 0.32 0.60 -0.01 0.00 0.01 0.03 0.01 -0.00 0.04 -0.02 -0.04 0.03 0.05 0.04 -0.05 0.04 -0.04 -0.00 -0.00 0.01 -0.04 0.00 0.01 -0.16 -0.16 -0.06 0.00 -0.02 -0.01 -0.07 0.06 -0.07 0.01 0.11 0.10 0.02 -0.05 -0.04 0.01 0.03 0.13 -0.02 -0.00 0.01 0.03 -0.13 0.04 0.05 0.03 -0.10 0.06 -0.16 0.12 0.03 0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.04 -0.02 -0.02 -0.02 0.01 0.07 0.19 -0.19 -0.18 -0.04 0.03 0.04 0.01 -0.01 0.03 0.11 0.05 0.03 0.18 0.12 0.09 -0.11 -0.02 -0.03 -0.02 0.06 0.01 -0.00 -0.01 0.04 0.09 0.03 -0.14 0.17 0.32 0.20 -0.02 0.11 0.06 0.02 -0.04 0.01 -0.09 -0.08 0.04 -0.00 -0.04 0.05 0.11 0.02 0.02 -0.02 0.01 0.22 0.43 0.29 0.05 0.00 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 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 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 -0.02 0.08 0.00 0.00 0.00 0.00 -0.01 0.05 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.05 -0.14 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 0.01 -0.01 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.04 0.12 -0.38 -0.00 0.02 0.01 -0.01 -0.02 -0.01 -0.01 0.01 -0.00 0.01 0.11 -0.30 -0.00 -0.01 -0.01 -0.03 -0.30 0.79 0.00 0.00 -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 -0.00 0.00 0.01 -0.02 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.03 -0.03 0.02 -0.03 0.04 -0.17 0.06 0.04 -0.00 -0.01 -0.00 0.12 -0.05 -0.04 0.00 -0.01 0.01 0.00 0.01 -0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 0.11 0.07 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.02 -0.03 0.05 0.00 -0.04 0.02 -0.14 -0.07 0.04 -0.24 0.03 0.09 -0.04 -0.22 -0.10 -0.00 -0.15 -0.07 -0.00 -0.00 -0.01 0.02 -0.00 0.00 0.01 -0.01 0.03 -0.06 0.67 0.30 -0.23 -0.24 -0.05 -0.24 -0.10 -0.07 0.00 -0.01 0.02 0.02 0.00 -0.02 0.01 0.03 -0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.01 0.01 0.01 0.01 0.01 0.00 -0.01 -0.00 -0.02 0.01 -0.04 0.04 0.01 0.07 -0.08 0.00 -0.00 -0.01 -0.02 0.00 0.02 -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 -0.04 0.05 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 0.01 0.02 -0.07 0.00 0.03 -0.04 0.05 0.39 -0.11 0.05 -0.27 0.07 0.25 -0.22 -0.25 -0.10 0.20 0.32 0.09 0.00 -0.00 -0.01 -0.01 -0.01 -0.02 0.02 -0.00 0.02 -0.03 -0.00 -0.23 -0.03 -0.29 -0.29 0.03 0.42 0.05 0.00 -0.01 0.01 -0.01 -0.03 -0.03 -0.01 -0.01 -0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.05 -0.15 -0.07 -0.02 -0.03 -0.01 0.19 0.38 0.13 -0.00 0.01 -0.01 0.00 0.04 0.03 -0.02 -0.02 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.11 -0.21 -0.07 0.01 0.01 -0.00 0.19 -0.05 -0.01 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.00 0.00 -0.33 0.05 0.03 0.02 0.04 -0.01 0.03 0.07 0.05 -0.06 -0.01 -0.01 0.01 -0.02 -0.02 0.04 0.02 0.00 -0.03 -0.05 -0.02 -0.00 0.01 0.00 0.01 0.02 0.04 0.26 -0.21 -0.09 0.00 0.05 0.05 -0.01 0.02 0.04 -0.02 -0.06 -0.01 -0.12 -0.31 -0.13 0.01 0.04 0.03 -0.40 -0.28 -0.18 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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.03 0.05 -0.00 0.02 0.02 0.02 -0.09 -0.14 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.02 -0.01 0.03 0.05 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 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.02 -0.08 -0.12 -0.13 0.53 0.80 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.06 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 0.01 0.01 0.03 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.02 -0.02 -0.01 -0.03 -0.01 0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.02 0.06 0.10 -0.01 0.02 0.03 -0.00 0.01 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.07 -0.10 -0.00 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 -0.04 0.01 0.03 -0.01 0.02 -0.01 -0.00 -0.04 -0.05 -0.01 -0.03 -0.04 -0.01 0.02 -0.00 -0.00 0.09 -0.36 -0.55 0.02 -0.10 -0.15 -0.00 0.01 -0.00 -0.00 0.04 0.00 -0.01 -0.02 -0.02 -0.01 0.04 0.01 0.01 0.00 -0.00 -0.10 0.38 0.58 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 0.08 0.05 0.21 -0.02 -0.02 -0.02 0.04 -0.01 -0.04 0.01 -0.00 -0.00 -0.00 -0.09 0.05 -0.09 0.20 -0.16 -0.07 -0.21 -0.10 0.03 0.02 0.01 0.01 -0.06 -0.06 -0.00 0.00 0.00 0.00 -0.03 -0.03 -0.02 0.01 -0.02 -0.03 0.05 0.02 0.05 0.07 0.06 0.01 -0.02 -0.01 -0.01 0.00 0.01 -0.02 -0.01 0.05 0.01 0.00 -0.00 0.02 0.01 0.00 -0.08 0.11 -0.15 -0.01 0.26 -0.08 0.09 -0.07 -0.02 -0.28 -0.39 -0.10 -0.15 -0.20 -0.04 0.20 -0.00 -0.00 -0.04 0.14 0.22 -0.04 0.04 0.03 -0.06 0.07 -0.02 -0.01 0.27 0.02 -0.05 -0.11 -0.09 -0.04 0.23 0.04 0.02 -0.01 -0.00 -0.00 -0.16 -0.19 0.00 -0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.06 -0.11 -0.08 -0.01 0.13 -0.05 -0.01 0.07 -0.02 -0.01 -0.06 -0.06 -0.17 -0.02 0.07 0.22 -0.00 -0.01 -0.00 0.08 0.01 -0.00 0.01 -0.00 0.02 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.07 0.05 -0.04 -0.12 0.25 0.08 -0.01 0.00 -0.02 0.04 -0.17 -0.06 -0.00 0.01 0.00 -0.03 -0.07 0.04 0.02 0.00 0.00 0.05 0.05 0.03 0.09 0.10 -0.12 0.22 0.35 0.40 -0.08 -0.11 -0.03 0.10 0.13 0.06 0.13 0.08 -0.01 -0.11 -0.05 -0.02 -0.02 -0.01 -0.00 -0.10 0.02 -0.04 0.04 0.25 0.12 0.01 -0.04 0.05 0.01 0.08 0.07 0.00 -0.12 -0.02 0.06 -0.18 -0.04 -0.04 -0.06 0.04 -0.02 -0.29 -0.13 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 0.01 -0.00 0.03 0.00 -0.01 0.02 -0.01 0.01 0.04 -0.05 -0.02 -0.03 -0.02 -0.01 -0.02 -0.02 -0.08 -0.14 0.03 0.09 0.01 -0.00 -0.00 0.05 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.02 0.01 -0.01 0.02 -0.01 -0.03 0.03 -0.02 0.08 -0.12 -0.05 0.00 0.01 -0.00 -0.01 0.18 0.06 -0.01 -0.02 0.01 -0.01 -0.04 0.02 0.02 0.00 0.00 -0.03 -0.03 -0.01 0.05 -0.11 -0.50 0.34 0.28 0.45 -0.02 -0.05 -0.01 0.02 0.02 0.02 0.00 -0.01 -0.01 -0.05 -0.03 -0.01 -0.01 0.02 -0.01 -0.03 0.03 -0.02 0.17 -0.13 -0.05 0.00 0.02 0.03 -0.01 0.02 0.02 -0.01 -0.03 -0.01 0.11 0.31 0.11 0.01 -0.04 0.03 0.01 0.18 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 0.01 -0.04 0.03 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.03 0.05 -0.03 -0.11 -0.03 0.02 0.01 0.00 0.00 0.12 0.27 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 -0.22 -0.11 -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 0.09 -0.08 0.02 0.04 0.01 -0.18 -0.08 -0.01 -0.23 -0.17 -0.03 0.18 0.35 0.14 0.26 0.38 0.15 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.03 -0.05 -0.03 -0.09 -0.34 -0.14 -0.10 -0.31 -0.14 0.01 0.01 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.02 0.00 -0.00 -0.05 -0.01 0.06 -0.03 -0.06 -0.01 0.08 -0.08 0.08 0.02 -0.02 -0.00 0.04 0.00 0.01 0.05 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.02 -0.08 0.01 0.02 0.01 0.01 0.01 -0.03 0.02 -0.03 -0.01 -0.00 0.00 0.00 0.24 -0.15 0.10 -0.17 0.12 0.04 -0.12 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.01 -0.02 0.20 -0.19 -0.03 0.12 -0.09 -0.13 -0.04 0.01 0.00 -0.01 -0.00 0.01 -0.02 -0.25 0.16 0.08 0.20 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.02 -0.00 -0.03 -0.01 -0.01 -0.08 -0.32 0.21 -0.24 -0.34 0.20 -0.14 0.01 -0.02 -0.00 0.02 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.06 -0.02 -0.02 -0.30 0.18 -0.17 0.01 0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.02 0.06 0.01 -0.09 -0.05 -0.02 0.01 0.02 0.01 0.01 -0.09 -0.03 -0.04 -0.04 -0.02 0.10 0.00 0.02 -0.03 -0.04 -0.03 0.01 0.00 -0.01 0.02 -0.01 0.00 0.00 0.03 -0.01 0.01 -0.02 0.02 -0.00 -0.01 0.01 0.04 -0.00 -0.00 -0.01 0.00 -0.00 0.04 0.06 0.02 0.01 0.01 -0.03 -0.01 0.01 -0.01 -0.02 -0.00 0.00 -0.09 0.05 0.02 -0.01 0.06 0.34 -0.17 -0.03 -0.18 -0.03 -0.06 -0.02 -0.01 0.02 0.03 0.08 0.05 -0.00 0.04 0.03 0.01 -0.01 -0.04 0.02 -0.04 -0.04 0.02 0.69 -0.03 0.05 0.01 -0.03 -0.01 0.02 0.03 0.01 0.02 0.00 0.01 0.34 0.32 0.14 -0.05 0.02 -0.02 -0.10 0.07 0.01 0.02 0.01 -0.00 -0.15 0.04 0.15 -0.01 0.05 0.05 -0.08 0.05 -0.01 -0.01 0.15 0.00 0.02 0.02 0.01 -0.00 0.00 0.01 -0.01 0.04 0.02 -0.01 -0.00 -0.00 0.02 -0.09 0.05 -0.04 -0.10 -0.07 -0.02 -0.02 -0.01 0.01 0.01 0.01 0.05 0.05 0.06 0.04 0.00 0.00 -0.05 0.04 -0.06 -0.00 -0.02 -0.01 0.01 -0.00 -0.01 -0.02 0.00 0.00 0.42 -0.23 -0.35 0.02 -0.05 0.04 -0.20 -0.05 0.00 0.05 -0.03 -0.01 0.03 -0.14 0.00 0.02 -0.04 0.04 -0.05 -0.14 -0.07 0.00 0.04 0.05 0.08 0.04 -0.01 0.01 0.04 0.01 0.16 0.10 -0.03 0.15 0.29 -0.04 -0.26 -0.02 -0.03 0.01 0.03 0.03 -0.01 0.01 0.02 -0.01 -0.05 -0.02 -0.12 -0.08 -0.05 0.35 -0.14 0.13 0.06 0.00 0.01 -0.01 -0.00 0.00 0.04 -0.01 -0.04 0.01 -0.01 -0.01 0.03 -0.01 0.00 -0.02 0.33 -0.00 0.02 0.02 0.01 0.00 0.02 0.01 -0.02 0.08 0.03 -0.02 -0.02 -0.01 0.07 -0.21 0.13 -0.09 -0.22 -0.15 -0.00 0.00 -0.00 0.02 0.00 0.03 -0.02 -0.01 -0.01 -0.02 -0.00 0.00 0.02 -0.04 0.03 0.01 -0.04 -0.02 0.02 0.00 -0.03 -0.03 0.02 0.01 -0.13 0.05 0.08 -0.00 0.04 -0.03 0.10 0.02 0.00 0.09 -0.07 -0.03 0.07 -0.27 0.07 -0.00 -0.08 0.05 -0.12 -0.32 -0.15 -0.00 0.12 0.14 0.20 0.10 -0.04 0.04 0.08 0.03 -0.09 -0.07 0.01 -0.11 -0.17 0.06 -0.38 -0.04 -0.03 0.01 0.03 0.06 -0.00 0.05 0.06 -0.00 -0.10 -0.03 -0.18 -0.10 -0.04 -0.19 0.08 -0.09 0.10 -0.03 -0.00 0.03 0.01 0.00 0.01 -0.02 -0.04 -0.06 -0.11 -0.09 -0.02 -0.01 -0.03 -0.00 0.04 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.02 -0.01 -0.01 -0.00 0.00 0.01 -0.03 0.02 -0.01 -0.03 -0.02 -0.02 0.01 -0.00 -0.00 -0.00 0.00 0.06 0.02 -0.06 0.10 -0.02 0.03 -0.01 0.08 -0.04 -0.02 -0.03 -0.01 0.00 0.00 -0.00 0.02 -0.02 -0.01 0.12 0.23 0.28 -0.01 -0.09 0.05 -0.28 -0.05 -0.01 -0.02 0.05 0.02 0.01 -0.04 0.01 -0.00 -0.01 0.01 -0.01 -0.04 -0.02 0.01 0.02 0.02 0.02 0.01 -0.00 -0.00 0.01 0.00 0.35 0.17 -0.06 0.33 0.32 -0.24 -0.19 -0.03 -0.03 0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.07 0.02 -0.00 0.28 -0.16 0.15 0.03 0.30 0.11 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.00 0.00 0.00 -0.01 0.03 0.00 0.04 0.02 0.01 0.00 -0.01 -0.01 0.05 -0.11 -0.04 0.02 0.02 0.02 -0.02 -0.03 0.00 0.07 -0.03 -0.03 -0.00 -0.01 0.01 -0.07 0.04 0.03 -0.01 -0.01 0.01 -0.02 0.01 -0.01 -0.00 -0.01 0.01 -0.06 -0.03 -0.01 0.05 -0.01 -0.02 0.07 -0.09 -0.03 -0.01 -0.03 -0.03 0.01 0.02 -0.01 0.05 0.01 0.00 -0.10 0.16 0.05 0.01 -0.04 -0.09 0.04 -0.02 0.05 0.04 -0.05 -0.04 0.06 -0.02 -0.01 -0.13 -0.05 -0.01 -0.14 -0.05 0.01 -0.08 -0.03 0.01 -0.06 -0.06 0.04 -0.31 -0.01 -0.05 -0.01 0.19 0.10 -0.11 -0.12 -0.00 -0.12 -0.11 -0.06 0.19 -0.01 0.00 -0.02 0.02 -0.02 -0.00 0.71 0.27 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.03 -0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 -0.00 0.02 -0.03 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.15 0.03 0.04 0.00 -0.00 0.00 0.16 -0.07 -0.07 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.03 -0.01 -0.11 0.02 0.04 0.03 -0.03 -0.01 -0.01 -0.01 -0.02 0.00 0.00 -0.00 0.02 0.00 0.00 -0.02 0.06 0.02 0.01 -0.03 -0.06 0.04 0.01 0.04 -0.11 0.08 0.06 -0.12 0.06 0.04 0.29 0.10 0.01 0.32 0.11 -0.02 -0.04 -0.02 0.00 -0.03 -0.02 0.01 -0.26 -0.02 -0.03 0.02 -0.40 -0.20 0.22 0.26 0.01 0.24 0.23 0.13 0.06 -0.01 -0.00 0.00 0.01 0.00 0.04 0.35 0.13 -0.02 -0.00 -0.00 -0.04 -0.00 0.01 -0.06 -0.07 -0.06 -0.07 0.03 -0.05 0.01 -0.00 0.00 0.02 -0.01 0.00 0.02 0.02 -0.00 -0.01 -0.01 -0.00 0.03 0.00 -0.00 -0.02 0.00 -0.00 -0.00 0.00 0.01 -0.04 -0.04 0.03 0.00 -0.00 -0.01 0.01 0.00 -0.02 -0.12 0.01 -0.03 -0.06 -0.05 0.03 0.00 0.03 0.01 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.30 0.07 0.15 0.07 0.10 -0.06 0.16 -0.01 0.03 -0.01 -0.01 -0.00 -0.00 0.03 -0.07 0.04 -0.01 0.03 -0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.02 -0.00 -0.00 -0.50 -0.30 0.12 -0.42 -0.37 0.15 0.11 0.02 0.02 -0.00 -0.01 -0.01 0.01 0.00 -0.01 0.01 0.02 0.01 -0.01 0.01 -0.01 0.20 0.09 -0.03 -0.04 -0.13 -0.05 0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.03 0.06 -0.01 0.11 0.05 0.01 -0.03 -0.02 -0.01 -0.00 -0.10 -0.04 0.10 0.10 0.06 -0.10 -0.08 -0.00 -0.03 -0.03 -0.01 -0.04 -0.00 0.01 0.02 -0.00 -0.02 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.02 0.00 0.00 0.01 0.10 0.03 -0.01 0.00 0.01 -0.01 -0.04 -0.01 -0.02 -0.01 0.01 0.00 -0.00 0.00 -0.02 0.00 -0.00 -0.12 0.03 0.01 -0.01 -0.07 -0.32 0.17 -0.23 0.17 -0.05 -0.01 -0.01 -0.03 -0.02 -0.01 0.03 0.01 0.01 0.07 0.02 -0.00 0.11 0.10 -0.03 0.10 0.07 -0.03 0.55 0.10 0.07 0.00 -0.04 -0.03 0.03 0.02 -0.01 0.03 0.04 0.02 -0.15 -0.16 -0.06 0.02 -0.01 0.01 -0.22 -0.42 -0.16 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.01 0.01 0.03 -0.03 0.03 -0.00 0.01 -0.00 -0.01 0.01 0.01 -0.03 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.02 0.02 0.00 -0.02 -0.01 0.00 -0.01 0.00 0.06 -0.05 0.04 -0.00 0.01 -0.01 0.04 0.02 -0.01 -0.07 0.00 -0.01 -0.03 0.07 -0.05 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.09 0.07 -0.07 0.06 -0.01 0.02 -0.02 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.01 -0.02 -0.02 -0.02 0.01 -0.00 0.01 -0.02 -0.02 -0.02 0.01 0.01 0.02 -0.01 -0.00 -0.44 -0.31 0.12 -0.05 0.07 -0.05 0.05 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.00 0.02 0.00 -0.01 -0.02 -0.00 0.74 -0.15 0.22 -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 0.02 -0.05 0.06 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.02 -0.02 0.04 -0.05 -0.02 0.08 -0.13 -0.01 -0.00 0.00 0.03 -0.07 0.15 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.02 0.05 -0.10 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.02 -0.04 -0.02 0.01 -0.13 -0.02 0.20 -0.35 -0.06 -0.19 0.24 0.26 0.25 -0.14 -0.23 -0.29 0.19 0.04 -0.03 -0.02 0.01 0.01 0.01 -0.01 0.00 0.01 -0.00 0.04 -0.11 0.18 -0.00 0.28 0.24 0.05 -0.35 -0.07 -0.02 -0.01 -0.00 0.07 -0.01 0.02 -0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.12 0.16 0.05 -0.10 -0.09 -0.04 -0.00 0.04 0.02 -0.02 0.11 0.08 -0.02 -0.04 -0.04 -0.00 0.00 -0.00 0.30 0.06 0.01 0.01 -0.01 0.01 0.09 0.01 0.01 0.06 0.04 -0.01 -0.12 0.02 -0.03 0.08 -0.06 -0.02 -0.00 0.01 -0.01 0.01 -0.13 -0.05 0.04 0.04 -0.01 -0.08 -0.06 0.03 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.01 -0.21 -0.01 -0.02 -0.00 -0.04 0.02 0.02 0.01 -0.03 -0.02 -0.01 -0.01 -0.05 -0.02 0.01 0.06 0.01 0.02 -0.02 -0.01 -0.47 -0.26 0.10 0.26 -0.07 -0.03 0.01 -0.02 0.02 0.00 0.04 0.03 0.01 -0.04 -0.01 0.07 -0.09 -0.04 -0.53 0.03 -0.10 0.01 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.01 0.01 0.07 0.03 0.01 0.01 -0.00 -0.00 0.04 -0.04 -0.02 -0.03 -0.01 -0.02 0.04 -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 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.02 -0.02 0.03 0.01 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.03 0.01 0.00 0.02 -0.52 0.17 -0.13 0.67 -0.11 0.03 0.09 0.04 -0.02 -0.06 -0.04 -0.04 -0.07 -0.03 0.02 0.07 0.02 0.01 0.02 -0.01 -0.01 -0.01 0.00 0.08 0.00 0.01 0.00 -0.02 0.03 -0.00 0.04 0.03 0.01 -0.05 -0.01 -0.32 -0.21 -0.08 -0.01 0.00 -0.00 -0.04 -0.01 -0.01 -0.00 0.00 -0.00 -0.02 -0.01 0.03 -0.01 -0.04 -0.01 0.03 -0.04 0.04 0.01 0.00 -0.00 0.01 -0.02 -0.00 0.01 0.03 -0.01 -0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.26 0.17 -0.00 -0.00 0.00 -0.08 -0.12 0.07 0.02 0.17 -0.11 0.01 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.03 0.26 -0.17 -0.09 0.06 -0.05 0.09 -0.11 0.08 0.00 0.00 0.00 -0.01 0.13 -0.01 0.01 -0.12 0.01 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.46 0.55 -0.29 -0.06 0.01 -0.02 -0.05 0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.08 0.08 0.02 -0.13 0.07 -0.08 -0.01 -0.05 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.00 -0.01 0.03 -0.03 -0.01 -0.00 -0.01 -0.01 -0.08 0.03 0.01 0.04 0.04 0.01 0.00 -0.02 -0.00 -0.00 -0.01 0.02 -0.01 0.00 0.00 0.01 -0.01 0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.03 0.01 0.00 -0.00 0.01 -0.02 0.01 -0.06 -0.02 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.03 0.01 0.02 -0.28 0.00 -0.03 0.25 -0.02 0.03 0.10 0.03 -0.03 -0.08 -0.05 -0.06 -0.10 -0.04 0.06 0.11 0.03 0.01 0.01 0.00 0.01 0.00 0.00 -0.31 0.02 -0.01 0.01 -0.02 0.04 -0.01 0.05 0.04 0.02 -0.06 -0.01 0.58 0.41 0.15 0.03 -0.00 0.01 -0.09 -0.34 -0.12 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.04 -0.03 0.00 0.00 0.01 0.00 0.00 0.01 0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.02 0.02 0.00 -0.04 0.06 -0.01 -0.00 -0.00 -0.02 -0.04 0.04 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.03 -0.07 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 -0.02 -0.01 -0.00 0.24 -0.04 0.03 -0.08 0.04 0.15 0.39 0.12 -0.08 -0.29 -0.15 -0.17 -0.29 -0.12 0.31 0.46 0.14 0.00 0.00 -0.00 0.02 0.01 -0.00 0.11 -0.01 0.00 0.03 -0.01 0.16 -0.05 0.15 0.15 0.02 -0.20 -0.06 -0.08 -0.07 -0.02 0.03 -0.00 0.01 0.04 0.13 0.05 -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 -0.04 0.10 0.04 0.04 -0.01 0.00 0.00 0.02 0.01 -0.01 -0.03 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.03 -0.03 0.00 0.00 0.00 -0.13 -0.02 -0.01 0.02 0.01 -0.01 0.02 -0.00 0.01 0.05 -0.04 -0.01 -0.00 -0.00 0.00 -0.01 -0.07 -0.02 0.04 0.04 -0.02 0.01 0.01 -0.00 0.06 -0.07 0.05 -0.01 -0.00 -0.00 -0.01 0.03 0.00 0.01 0.07 0.02 0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 -0.02 -0.02 -0.01 -0.35 -0.29 0.13 0.60 0.47 -0.21 0.08 -0.04 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.07 -0.00 -0.01 -0.24 0.06 -0.08 -0.02 -0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.06 0.24 0.10 0.12 0.04 0.00 0.03 0.03 0.01 -0.04 -0.11 -0.06 -0.01 -0.01 0.01 -0.01 0.01 -0.02 -0.14 -0.04 0.00 -0.00 -0.01 0.01 0.05 -0.02 0.02 -0.07 -0.05 0.02 0.01 -0.04 0.03 0.12 -0.09 -0.03 0.00 -0.01 0.01 -0.05 -0.14 -0.05 -0.03 -0.01 -0.01 0.03 0.02 -0.01 -0.02 0.09 -0.07 -0.05 0.01 0.00 -0.02 0.26 -0.01 0.00 0.18 0.03 0.11 0.09 0.03 -0.06 -0.02 0.01 0.12 0.10 0.02 -0.10 -0.08 -0.02 0.36 0.32 -0.14 -0.23 -0.25 0.12 0.08 -0.10 -0.05 -0.00 0.02 -0.01 -0.00 -0.02 -0.01 -0.01 0.03 0.01 0.14 0.01 -0.00 0.39 -0.05 0.09 -0.08 -0.17 -0.06 -0.00 0.00 -0.00 -0.02 -0.02 0.03 -0.01 -0.04 -0.01 0.03 -0.04 0.03 0.00 -0.01 -0.01 0.06 -0.06 -0.03 -0.05 -0.02 0.00 0.01 -0.03 -0.01 -0.04 0.01 0.01 0.01 0.01 0.01 -0.00 -0.01 0.01 0.00 0.20 -0.13 -0.02 -0.01 -0.01 0.15 -0.26 0.20 -0.15 -0.07 0.02 -0.21 -0.17 0.08 0.00 0.01 0.00 0.01 0.00 -0.01 -0.01 0.05 0.02 0.03 0.30 -0.18 0.19 -0.07 0.08 0.03 0.22 -0.14 -0.01 0.04 0.02 0.01 0.03 -0.00 -0.01 -0.14 -0.01 -0.03 -0.00 0.00 0.10 0.09 0.02 -0.03 -0.00 0.02 0.12 0.12 0.03 0.05 0.09 -0.05 0.34 0.26 -0.13 -0.19 0.02 0.00 0.00 0.03 0.02 -0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.03 0.04 0.01 -0.27 0.03 -0.06 -0.05 -0.17 -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 -0.02 0.02 0.00 0.03 0.01 0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.02 -0.02 -0.00 -0.00 0.04 -0.01 0.01 -0.01 0.03 -0.01 -0.01 0.00 -0.03 0.00 -0.05 -0.00 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 -0.00 0.02 -0.01 -0.00 0.01 0.01 -0.02 -0.01 -0.01 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.02 0.00 -0.00 -0.09 0.03 0.02 -0.11 0.01 -0.37 -0.35 -0.11 0.39 0.40 0.11 -0.27 -0.18 -0.00 0.39 0.30 0.08 0.01 0.00 -0.00 -0.02 -0.02 0.01 -0.03 -0.01 -0.01 -0.00 0.04 0.01 -0.01 0.05 0.04 -0.02 -0.05 -0.03 -0.01 -0.00 -0.00 0.03 -0.00 0.01 -0.02 -0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.00 0.04 -0.01 -0.00 -0.03 0.00 0.01 0.03 -0.03 -0.01 -0.05 -0.02 -0.01 0.01 -0.00 -0.00 -0.04 -0.01 -0.01 0.04 0.00 0.00 -0.10 -0.08 -0.01 0.00 0.01 -0.01 0.02 0.01 -0.00 0.00 0.02 -0.01 0.04 -0.01 -0.00 0.06 -0.02 -0.00 -0.04 0.02 0.01 -0.00 -0.02 0.01 -0.02 -0.01 0.00 -0.00 -0.02 0.01 -0.02 0.06 0.02 -0.00 0.17 -0.01 -0.03 -0.02 -0.03 0.29 0.28 0.11 0.14 0.22 0.06 0.39 0.45 0.14 0.17 0.25 0.07 -0.07 -0.08 0.03 -0.04 -0.01 0.00 -0.22 -0.01 -0.02 -0.00 0.20 0.07 -0.06 -0.05 0.07 -0.10 0.07 -0.04 -0.06 0.01 0.00 -0.06 0.00 -0.01 -0.08 -0.24 -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 -0.02 0.02 -0.04 -0.00 -0.00 0.03 -0.01 -0.01 -0.07 0.06 0.02 0.09 0.05 0.03 -0.02 -0.01 -0.03 -0.03 0.00 -0.01 -0.05 -0.00 0.00 -0.07 -0.05 -0.02 -0.02 -0.01 0.00 -0.03 -0.02 0.01 0.01 -0.02 0.01 -0.07 0.04 0.01 0.04 -0.02 0.00 0.07 -0.04 -0.01 0.00 0.02 -0.01 0.02 0.01 -0.00 0.01 0.02 -0.01 0.03 -0.11 -0.04 0.00 -0.30 -0.04 -0.01 0.23 -0.01 0.10 0.06 0.03 0.18 0.27 0.08 0.25 0.33 0.12 0.14 0.18 0.05 0.08 0.08 -0.03 0.07 0.03 -0.01 0.36 0.03 0.03 -0.01 0.15 0.03 -0.03 -0.04 0.04 -0.08 0.06 -0.03 0.14 0.00 0.00 0.08 -0.00 0.02 0.13 0.41 0.14 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.02 0.02 0.03 -0.00 -0.00 -0.02 0.01 0.01 -0.03 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.06 -0.02 -0.07 -0.06 -0.02 0.01 -0.00 -0.00 0.04 0.08 0.02 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.02 0.01 -0.03 -0.04 -0.02 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.02 -0.01 -0.03 0.38 -0.04 -0.04 0.26 -0.03 0.26 0.26 0.11 0.37 0.43 0.11 -0.23 -0.26 -0.12 -0.11 -0.20 -0.03 -0.02 -0.01 0.01 -0.01 0.00 -0.01 0.03 0.02 0.01 -0.06 0.09 0.06 0.11 0.13 0.05 0.11 0.12 0.02 0.03 0.01 0.00 -0.05 0.01 -0.02 0.00 0.04 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.04 -0.00 -0.00 0.02 -0.00 -0.01 0.02 -0.00 -0.00 0.01 0.01 0.01 -0.00 0.05 0.01 0.01 0.00 0.01 -0.00 0.00 0.00 0.01 0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.02 -0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.01 0.02 0.01 0.02 -0.26 0.01 0.02 -0.20 0.02 0.04 -0.03 0.01 -0.03 -0.10 -0.08 -0.02 -0.00 0.02 -0.06 -0.02 -0.01 0.02 0.01 -0.00 0.01 -0.00 0.00 -0.02 -0.02 -0.01 -0.15 0.44 0.24 0.22 0.35 0.32 0.16 0.51 0.01 -0.03 -0.01 -0.00 0.05 -0.01 0.01 0.00 -0.04 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 0.10 0.02 0.01 -0.03 0.01 0.01 -0.06 0.01 0.00 -0.05 -0.03 -0.03 0.01 -0.08 -0.01 0.07 0.07 0.01 0.00 -0.00 -0.00 -0.02 -0.04 -0.02 0.05 0.01 0.01 -0.00 0.02 -0.01 -0.02 0.02 -0.01 -0.01 0.03 0.01 -0.00 -0.04 -0.02 0.04 -0.01 -0.00 -0.01 -0.01 0.00 0.03 -0.00 0.01 -0.02 -0.03 0.02 -0.03 -0.05 -0.02 -0.04 0.49 0.03 -0.02 0.33 -0.01 -0.34 -0.32 -0.14 -0.26 -0.22 0.01 0.06 0.09 0.06 0.08 0.13 0.02 -0.06 -0.03 0.01 -0.04 0.00 -0.01 0.05 0.04 0.02 -0.06 0.18 0.09 0.07 0.14 0.15 0.03 0.21 -0.01 0.09 0.01 0.00 -0.15 0.04 -0.05 -0.01 0.09 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.04 0.12 0.06 0.02 0.02 0.03 -0.00 -0.06 0.02 0.01 -0.10 -0.09 -0.03 0.02 0.13 0.04 -0.03 -0.03 0.01 -0.05 -0.04 0.01 0.01 0.02 0.01 0.16 0.04 -0.00 -0.06 0.02 -0.02 -0.07 0.04 -0.04 -0.00 0.04 0.01 0.00 0.01 0.00 0.04 -0.03 -0.01 -0.05 -0.04 0.02 0.11 0.02 0.00 -0.03 -0.10 0.06 -0.05 -0.07 -0.03 0.05 -0.44 0.04 0.01 -0.54 0.01 0.20 0.15 0.08 0.08 -0.01 -0.08 -0.00 -0.01 -0.02 -0.04 -0.06 -0.00 -0.07 0.02 -0.02 -0.03 0.09 -0.06 0.09 0.05 0.02 0.01 -0.04 -0.01 -0.02 -0.04 -0.03 -0.00 -0.03 0.00 0.11 0.02 0.00 -0.40 0.13 -0.15 -0.02 0.13 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 -0.02 0.19 0.06 0.02 -0.04 -0.01 0.02 -0.11 0.02 0.01 -0.15 -0.10 -0.04 0.02 0.08 0.03 -0.01 -0.02 0.01 0.07 0.07 -0.05 0.00 0.01 0.01 -0.18 -0.10 0.04 0.15 0.02 0.01 0.11 -0.01 0.03 -0.00 0.07 0.02 -0.00 0.00 -0.00 0.08 -0.03 -0.01 0.06 0.05 -0.02 -0.18 -0.06 0.01 0.02 0.13 -0.08 -0.07 -0.10 -0.04 0.01 -0.13 0.09 0.02 -0.37 0.02 0.10 0.08 0.04 0.02 -0.05 -0.06 -0.01 -0.02 -0.01 -0.02 -0.02 -0.00 -0.11 -0.23 0.12 -0.15 -0.25 0.14 0.08 0.08 0.03 0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.00 0.13 -0.00 -0.01 0.44 -0.20 0.20 -0.04 0.17 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 0.01 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 -0.03 0.01 0.01 0.00 -0.00 0.00 0.04 -0.03 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.04 -0.02 -0.03 0.02 -0.01 0.23 -0.26 0.08 0.18 -0.05 -0.30 -0.25 0.09 0.47 -0.37 0.38 -0.13 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.03 0.10 0.07 0.14 -0.03 -0.22 0.21 -0.16 0.06 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.05 -0.03 -0.02 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.03 0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.02 -0.05 -0.04 -0.03 -0.04 -0.03 -0.30 0.38 -0.11 -0.22 0.10 0.43 -0.02 0.04 0.08 -0.05 0.08 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.08 0.24 0.14 0.26 -0.02 -0.36 0.37 -0.23 0.11 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.04 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.03 -0.01 -0.02 0.02 0.03 0.02 -0.00 0.05 0.03 -0.01 -0.04 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.13 -0.31 0.61 -0.42 -0.30 0.01 0.40 0.27 0.09 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 -0.10 -0.01 -0.00 -0.02 0.01 0.00 -0.11 -0.03 -0.01 0.00 -0.02 -0.01 0.01 0.01 0.01 0.00 0.00 0.00 0.09 -0.01 0.02 0.00 0.00 -0.00 -0.03 0.07 -0.05 -0.08 -0.07 0.03 -0.05 -0.05 0.02 0.21 0.08 0.03 0.01 0.00 -0.00 0.23 0.05 0.02 0.01 -0.01 0.01 -0.02 0.05 -0.03 0.06 -0.01 0.01 -0.13 -0.04 -0.02 0.01 0.00 -0.02 -0.02 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 0.28 0.23 -0.11 0.23 0.18 -0.08 -0.49 0.11 0.03 0.02 -0.06 0.01 -0.08 -0.01 0.07 -0.05 0.07 -0.02 -0.25 -0.37 -0.14 0.20 0.01 0.02 -0.16 -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 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.02 -0.03 -0.02 -0.01 -0.00 -0.00 0.06 -0.02 -0.02 0.00 -0.01 0.01 0.01 0.01 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.03 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 -0.10 -0.08 -0.02 -0.06 -0.18 0.28 -0.07 -0.13 0.09 0.29 -0.23 0.01 0.35 -0.33 0.25 -0.12 -0.03 -0.03 0.01 -0.03 -0.02 0.01 0.00 0.00 0.00 0.07 -0.19 -0.14 -0.21 0.04 0.32 -0.33 0.21 -0.10 -0.00 0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.11 0.02 0.01 -0.03 -0.00 -0.00 0.03 0.02 0.01 -0.08 -0.00 0.00 0.00 0.00 -0.02 0.01 -0.01 -0.00 0.16 -0.00 0.02 0.01 -0.00 -0.00 -0.03 0.10 -0.07 -0.10 -0.10 0.05 -0.09 -0.08 0.04 -0.11 -0.03 -0.01 0.00 -0.00 -0.00 -0.10 -0.03 -0.01 0.01 -0.03 0.02 -0.06 0.07 -0.05 0.10 -0.01 0.02 0.05 0.01 0.01 -0.07 0.05 0.23 0.17 -0.07 0.11 -0.03 0.07 -0.01 -0.03 0.01 0.06 -0.05 0.01 0.09 -0.08 0.06 -0.03 0.40 0.30 -0.15 0.33 0.27 -0.13 0.25 -0.04 -0.01 0.01 -0.02 -0.02 -0.02 0.01 0.04 -0.04 0.03 -0.01 0.14 0.18 0.07 0.32 0.00 0.05 0.07 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 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.02 0.00 -0.01 -0.03 -0.01 -0.07 -0.00 -0.01 -0.00 -0.02 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.02 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.22 -0.02 0.64 0.58 0.02 0.39 -0.00 0.09 -0.00 -0.01 0.02 0.05 -0.03 0.02 0.07 -0.06 0.04 -0.02 -0.05 -0.03 0.01 -0.05 -0.04 0.02 -0.05 0.01 -0.02 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.00 -0.02 -0.03 -0.01 -0.05 0.00 -0.01 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.08 0.03 0.03 -0.01 -0.01 -0.25 -0.05 -0.02 -0.04 -0.02 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.21 -0.18 -0.07 0.00 -0.00 -0.00 0.28 0.05 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.21 0.22 0.08 0.02 0.00 -0.06 -0.06 -0.04 -0.04 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 0.30 -0.24 -0.07 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.13 -0.34 -0.12 -0.00 0.00 -0.00 0.10 -0.56 -0.20 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.03 0.01 0.00 -0.00 -0.00 0.03 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.15 0.30 -0.21 0.00 0.00 0.00 0.22 -0.20 0.17 0.05 -0.16 0.11 -0.02 0.17 -0.12 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 0.03 -0.03 -0.29 0.17 -0.15 0.14 -0.29 0.21 -0.00 0.00 -0.00 0.01 0.01 -0.04 -0.02 0.04 -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 0.24 -0.03 0.06 -0.24 0.01 -0.04 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.48 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 0.02 0.01 0.00 -0.03 -0.01 0.01 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.00 0.00 0.01 0.00 0.00 0.00 0.17 0.12 -0.05 -0.00 0.00 -0.00 -0.27 -0.11 0.02 -0.28 -0.17 0.07 0.28 0.20 -0.09 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.04 0.03 -0.01 0.25 0.04 0.01 -0.13 -0.11 0.05 0.00 0.00 0.00 0.02 -0.01 -0.04 -0.04 -0.02 -0.03 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 0.27 0.28 -0.16 -0.35 -0.32 0.16 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.01 -0.24 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.03 0.06 0.03 -0.47 0.24 0.19 0.02 0.00 0.00 0.51 -0.40 -0.29 -0.04 0.06 0.04 0.00 0.00 0.00 0.09 0.03 0.00 -0.00 0.00 0.00 0.03 0.01 0.00 0.02 0.01 0.00 -0.03 -0.01 0.00 -0.05 -0.03 -0.01 -0.00 -0.00 0.00 -0.01 -0.05 -0.02 -0.00 0.01 -0.01 -0.02 -0.00 -0.00 0.01 0.00 -0.00 0.03 0.04 0.01 0.05 -0.28 -0.13 0.02 0.14 0.07 -0.01 0.00 0.00 -0.01 -0.02 -0.01 0.02 0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.03 -0.01 0.02 0.03 -0.01 0.10 -0.04 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.07 0.00 0.01 0.02 -0.01 0.01 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.04 -0.01 -0.06 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 -0.00 -0.02 0.10 -0.00 -0.13 -0.30 -0.04 0.90 -0.12 0.15 -0.13 -0.01 0.01 -0.00 0.03 0.00 -0.09 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.02 0.01 0.01 0.00 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.00 -0.07 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 0.26 0.01 0.06 -0.56 -0.03 0.76 -0.06 -0.00 0.17 -0.02 0.02 -0.02 -0.02 0.02 -0.02 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.01 -0.04 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.03 0.00 -0.00 0.00 0.04 -0.05 0.04 0.02 0.00 -0.08 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.42 0.12 -0.03 -0.35 0.42 -0.31 -0.17 -0.01 0.61 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.05 -0.04 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -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 0.11 0.01 0.03 0.03 0.00 -0.04 -0.02 -0.00 0.06 0.03 -0.03 0.03 -0.42 0.49 -0.37 -0.17 -0.02 0.60 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.14 0.04 -0.01 -0.02 0.02 -0.01 -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 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.00 0.00 0.02 -0.02 0.02 0.00 -0.00 -0.00 -0.01 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 -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.26 -0.02 -0.08 -0.05 -0.00 0.07 0.01 -0.00 -0.02 -0.23 0.26 -0.21 0.27 -0.30 0.21 -0.19 -0.00 0.61 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.04 0.01 0.01 -0.15 0.17 -0.12 0.07 0.00 -0.24 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.08 -0.01 -0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 -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 0.87 0.06 0.26 0.13 0.00 -0.19 0.00 -0.00 -0.01 -0.12 0.14 -0.11 0.11 -0.13 0.09 -0.02 0.00 0.06 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.01 0.00 -0.06 0.07 -0.05 0.03 -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 -0.04 0.05 -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 -0.01 0.02 -0.05 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.00 -0.01 -0.01 0.00 0.01 0.06 0.00 -0.15 -0.42 0.47 -0.38 -0.07 0.07 -0.05 0.02 0.00 -0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.01 -0.02 0.25 -0.30 0.21 -0.13 0.00 0.43 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.02 0.02 -0.03 0.00 0.00 0.00 -0.01 0.02 -0.05 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.03 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.08 0.00 0.02 0.01 -0.00 -0.01 -0.05 -0.01 0.13 0.25 -0.28 0.22 0.23 -0.27 0.19 -0.12 -0.00 0.38 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -0.01 -0.01 0.25 -0.31 0.21 -0.13 0.00 0.47 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.09 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.03 0.03 0.06 -0.07 0.05 0.02 0.00 -0.06 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.84 0.25 -0.05 0.17 -0.24 0.17 0.06 0.00 -0.28 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.04 0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.52 -0.46 0.38 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 0.19 0.49 -0.30 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 -0.03 0.03 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.40 0.34 -0.29 -0.02 0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.25 0.65 -0.39 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 0.05 -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 0.02 -0.01 0.65 -0.57 0.49 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -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 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.09 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.20 0.06 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.03 -0.01 -0.00 -0.00 0.00 0.96 -0.17 -0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.06 -0.06 -0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.09 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.66 0.70 0.23 0.00 0.00 -0.00 0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.09 -0.03 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 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 0.02 0.93 0.29 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.06 -0.02 0.00 0.00 -0.00 -0.20 0.03 0.01 17 9 9 9 8 7 7 7 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 1 298.150 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 17 9 9 9 8 7 7 7 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 34.96885 18.99840 18.99840 18.99840 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 345.08557 0.99998 -0.00497 -0.00245 0.00503 0.99971 0.02343 0.00233 -0.02344 0.99972 asymmetric 1 0.01258 0.00828 0.00554 0.26204 0.17249 0.11547 749078.3 6.10 27.62 42.12 51.50 66.90 71.16 91.55 110.20 156.36 172.21 180.66 195.51 222.76 289.31 325.52 345.51 380.13 404.79 411.79 439.57 458.01 496.77 517.17 546.27 619.82 683.52 691.33 706.10 765.60 784.32 857.12 883.37 884.43 944.75 951.35 965.34 997.25 1062.02 1078.24 1100.56 1106.05 1149.56 1217.27 1225.70 1246.56 1270.78 1291.00 1296.69 1310.15 1313.72 1400.31 1415.12 1427.32 1479.20 1489.96 1531.45 1562.12 1584.67 1592.35 1607.99 1617.05 1622.03 1636.41 1656.98 1687.53 1720.84 1786.55 1797.68 1828.90 1837.03 1861.86 1876.57 1893.49 1902.39 1917.95 1920.48 1933.10 2032.66 2042.58 2052.86 2070.75 2074.96 2147.68 2157.14 2162.97 2163.50 2174.80 2181.09 2194.90 2247.74 2300.31 2353.81 2490.00 4282.38 4300.57 4347.15 4358.24 4393.03 4407.03 4422.94 4445.98 4454.32 4587.15 4607.76 4632.08 4666.00 4701.08 4733.96 0.285309 0.307081 0.308025 0.228731 -1579.903474 -1579.881703 -1579.880758 -1579.960052 192.696 79.440 166.888 0.000 0.000 0.000 0.889 2.981 43.410 0.889 2.981 35.375 190.919 73.479 88.103 1 0.593 1.987 9.718 2 0.593 1.986 6.716 3 0.593 1.984 5.878 4 0.594 1.982 5.479 5 0.595 1.979 4.961 6 0.595 1.978 4.839 7 0.597 1.972 4.341 8 0.599 1.965 3.976 9 0.606 1.942 3.292 10 0.609 1.933 3.105 11 0.611 1.928 3.013 12 0.614 1.918 2.861 13 0.620 1.897 2.612 14 0.638 1.838 2.123 15 0.650 1.801 1.909 16 0.657 1.779 1.802 17 0.671 1.739 1.634 18 0.681 1.708 1.526 19 0.684 1.699 1.496 20 0.696 1.663 1.386 21 0.705 1.639 1.319 22 0.724 1.585 1.188 23 0.734 1.556 1.124 24 0.750 1.513 1.040 25 0.792 1.403 0.856 26 0.832 1.305 0.723 27 0.837 1.293 0.709 28 0.847 1.271 0.682 29 0.887 1.179 0.582 30 0.900 1.150 0.554 31 0.953 1.041 0.457 32 0.973 1.002 0.426 33 0.974 1.001 0.425 0.105700e+27 26.024074 59.922645 0.349199e+11 10.543073 24.276322 0.100000e+01 0.000000 0.000000 0.251967e+09 8.401344 19.344810 0.120132e+08 7.079658 16.301514 5 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1580.1887832 4.34E-9 6.413E-6 0.2853088 0.3070806 -1579.8817026 -1579.8807584 -1579.9600524 -2.0813655,-0.2000323,2.2813978,10.4056873,-6.3334594,0.8420464 C01 [X(C15H15Cl1F3N3O1)] 0.072422 2.4614288 -0.7490339 -0.8182821 0.2969179 -0.0127556 0.356091 -0.210984 -0.0029428 -0.0545361 0.0117815 -0.0616919 -0.5990397 0.0487228 0.3295027 -0.0134039 -0.4696943 -0.1122466 0.2696711 -0.1170022 -0.6127137 -0.3204114 0.1507616 -0.0643539 0.0611199 -0.8538376 0.2057158 -0.0906509 0.2143522 -0.506987 -0.6914462 -0.2146087 -0.2301125 -0.26575 -0.5482109 -0.2004446 -0.3006154 -0.2208994 -0.4595245 -0.4958456 -0.063409 -0.0338463 -0.2131586 -1.326175 0.201576 0.0529277 0.1616122 -0.4973093 -1.635019 0.6711857 -0.1878449 1.0657769 -0.6807928 0.2175536 -0.3928993 0.2964365 -0.1808124 -1.9763327 0.5004683 -0.1017689 0.2054816 -0.5037743 0.1355368 0.1425179 0.1045158 -0.2937741 -0.9849001 0.3182631 -0.0957274 0.0876995 -0.4035137 0.0494671 -0.0659436 0.0522776 -0.314752 2.4230722 -0.6793563 0.0973279 -0.6302492 0.7120693 -0.2852594 0.0690597 -0.3073758 0.318723 0.2579527 0.1438682 -0.0137938 0.2257101 0.5647737 0.1292363 -0.073099 0.3585642 0.2905744 0.3269475 -0.0688698 0.0140783 0.0862509 0.9351512 -0.2021521 -0.1146693 -0.3235814 0.4267545 1.2820349 -0.2789117 0.0824802 -0.5878882 0.265925 -0.0551822 0.0854398 -0.036118 0.0759771 -0.0031098 0.0921633 -0.0333849 -0.0165811 -0.0062515 0.0215572 0.0269191 0.051944 0.0864187 -0.2117077 0.1222214 0.0380375 0.0017046 -0.2604661 -0.0790964 -0.0887738 -0.017945 -0.1568419 -0.3484294 0.0233591 0.0221306 0.248538 -0.093834 0.0734861 0.1859154 0.0106047 -0.0889934 -0.2346629 -0.0211793 -0.0234823 0.1872781 -0.0094365 0.0607788 0.0881909 0.0118073 -0.0277123 0.7112857 -0.3175259 0.0877947 0.0103877 -0.0966535 0.0110908 -0.1182416 0.0792962 -0.151794 0.0856257 0.0615619 -0.0079348 0.0243552 0.0675554 0.0335054 0.002713 0.0070936 0.1161699 0.5200152 -0.3631915 0.1385335 -0.7712623 0.5719219 -0.1807351 0.4297859 -0.2483211 0.1191671 1.5824958 0.0249642 -0.0336833 0.2518263 2.0005225 0.177415 0.1167007 0.1973623 1.6088757 -0.0291818 0.0826682 0.036404 0.0479802 0.0096506 0.0633509 0.0469407 0.0794822 -0.0321745 1.037998 -0.4801312 0.026092 -0.6534366 0.1325492 -0.0478859 -0.0140498 -0.0529979 -0.0602765 0.1402367 0.117275 -0.0512823 0.3815102 -0.0245739 -0.0805034 -0.1462429 -0.055777 -0.0740056 -0.0637663 0.0052885 -0.0676518 0.0639653 -0.0091214 0.0165149 -0.0850219 -0.0468664 0.0421867 -0.0585513 0.0015662 0.1213922 -0.0344481 -0.0279129 -0.0079196 0.0808493 -0.1004431 -0.0317461 -0.0001002 0.0197341 0.0483528 0.0354526 -0.0295053 -0.0540209 0.1089048 0.0453878 -0.1451272 -0.0402092 -0.0702278 -0.0392186 -0.0883416 -0.0810183 -0.0100233 -0.071579 -0.039395 0.0168372 -0.0569026 -0.0751677 -0.0345863 -0.0727429 -0.0663193 -0.0344689 -0.0653109 -0.0882424 0.0241564 0.0119599 0.0351957 0.0455181 0.02843 0.0397549 0.013157 0.0765009 0.0254529 -0.1272874 0.0158725 -0.0139257 -0.0572167 0.0006223 0.0612899 -0.0442037 -0.0758088 -0.044437 0.1174928 0.0415924 -0.0165026 -0.0293928 -0.0107295 0.1137553 -0.0146326 -0.024672 -0.0180862 0.1118925 0.1167325 -0.0218769 0.008122 -0.0362366 0.0623393 0.0519812 0.0141801 0.0367287 0.1471235 -0.0850823 0.1163489 -0.0130148 0.0582368 -0.0290721 0.0305959 0.0100466 0.0240293 0.0633804 -0.0314267 -0.1276394 -0.0531578 -0.0658268 -0.0449873 -0.0137053 -0.0771695 -0.0562265 0.0055988 0.0458825 -0.0168038 0.0727673 0.0146602 0.0231229 -0.0516385 0.0594594 0.0224422 -0.1301083 0.0565441 -0.0136594 0.005531 -0.0297286 0.1143844 0.0122181 -0.0050627 0.0130056 0.133278 0.0760114 0.0293653 -0.0035793 0.0444345 0.0080028 -0.0545386 -0.0154654 -0.0536002 0.103165 -0.0478527 -0.0189126 0.0137243 0.0022719 0.0933662 0.0268632 0.0130892 0.023138 0.1458607 300.8888075|-33.3897181|224.3773564|6.2797162|-4.1773876|147.384868 -0.000004157 0.000002720 0.000000738 -0.000006961 0.000001566 0.000007690 -0.000003623 0.000012498 -0.000007590 0.000007217 0.000006729 0.000006258 -0.000003206 -0.000003900 0.000009354 -0.000011606 -0.000002327 -0.000013630 -0.000010638 -0.000003106 -0.000005276 -0.000018264 0.000002335 0.000005759 0.000024277 0.000001043 0.000007755 -0.000003637 -0.000010439 0.000005091 -0.000003741 0.000016793 -0.000010673 -0.000007903 0.000001770 0.000002655 0.000009216 -0.000007314 0.000004144 0.000009825 -0.000008839 -0.000001924 0.000006413 0.000001530 0.000000400 -0.000008846 0.000008975 0.000003995 0.000005468 0.000002129 0.000004463 0.000000034 -0.000002055 0.000001101 0.000016120 0.000000674 0.000003036 0.000001231 -0.000026245 -0.000008291 -0.000003702 0.000006975 0.000003724 0.000002628 -0.000006920 -0.000002939 0.000002740 0.000003256 -0.000007206 0.000001351 0.000003284 -0.000001991 -0.000000996 0.000000448 -0.000003053 -0.000000014 -0.000002262 0.000002934 0.000001998 0.000000722 -0.000001405 -0.000002120 0.000000695 -0.000001146 -0.000001214 -0.000000567 -0.000000798 -0.000000504 0.000000287 0.000001286 -0.000000513 0.000001616 0.000000566 0.000001530 -0.000000419 -0.000000862 0.000000894 0.000001304 -0.000000580 0.000000221 0.000001660 -0.000001515 -0.000000602 0.000001569 -0.000000434 0.000000269 -0.000003354 -0.000000243 0.000001128 -0.000000250 -0.000000541 -0.000000310 -0.000002578 -0.000000853 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 10-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H15ClF3N3O)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triflumizole_E/gas/CONF265/op #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction triflumizole_E CONF265 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 35 19 19 19 16 14 14 14 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 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 1 1 0 2 2 2 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 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 627 A 604 A 604 965 627 89 89 2120.5011564507 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0404619179 0.000000 6.101832 0.000000 6.082927 2.175589 0.000000 5.182383 2.173992 2.170090 0.000000 7.075961 5.193576 6.119043 6.824703 0.000000 8.110896 4.094878 4.520843 5.954376 3.038299 0.000000 5.947282 2.903235 2.937382 4.204955 3.308870 2.292145 0.000000 10.042265 5.486915 5.468130 7.248364 5.087299 2.226681 4.096864 0.000000 6.754621 3.334654 3.937876 5.059013 2.377620 1.401828 1.270797 3.571124 0.000000 6.657949 3.834984 4.997355 5.594995 1.418616 2.476221 2.485498 4.667027 1.516909 0.000000 7.325147 6.075473 7.248823 7.639150 1.432576 4.378726 4.576713 6.377138 3.696774 2.390600 0.000000 4.552664 2.948815 3.012674 3.671468 3.671447 3.606821 1.396586 5.493423 2.338792 2.912589 4.671212 0.000000 6.247256 6.268238 7.399914 7.474290 2.472695 5.390388 4.944615 7.526385 4.395667 3.132364 1.527800 4.590388 0.000000 4.020050 2.372061 2.377025 2.373857 4.879515 4.605507 2.435451 6.327310 3.415390 3.907442 5.738928 1.407824 5.498830 0.000000 4.019174 4.262092 4.320011 4.785991 3.490137 4.346379 2.433266 6.326571 3.062401 3.236776 4.274369 1.401596 3.884708 2.414007 0.000000 2.723418 3.457114 3.437276 2.709065 5.706408 5.911275 3.708474 7.697664 4.640419 4.878502 6.341768 2.432971 5.768273 1.392735 2.785614 0.000000 9.218705 5.226654 5.872516 7.213729 3.124274 1.395593 3.609849 2.262675 2.510672 2.947894 4.256771 4.833710 5.551846 5.881673 5.388394 7.142800 0.000000 7.063670 7.537214 8.817897 8.693950 3.816964 6.780398 6.453494 8.865813 5.857020 4.494929 2.530994 6.051635 1.531647 6.843330 5.306229 6.958167 6.775388 0.000000 8.762405 4.370090 4.284865 6.059677 4.388244 1.388001 2.827491 1.302495 2.486982 3.794385 5.755108 4.221009 6.724554 5.035071 5.127121 6.402474 2.226414 8.143847 0.000000 5.227667 1.359591 1.349577 1.351985 5.636125 4.640559 2.866317 6.017787 3.746089 4.431375 6.577340 2.519874 6.565278 1.507563 3.797380 2.509611 5.931895 7.894259 4.789980 0.000000 2.728242 4.952342 4.982544 4.964494 4.576508 5.710450 3.705882 7.694444 4.386999 4.362337 5.057885 2.429861 4.262127 2.789890 1.389335 2.417817 6.741465 5.458897 6.472699 4.297337 0.000000 1.755930 4.618619 4.617417 4.098613 5.572714 6.365791 4.191534 8.287177 5.023106 5.060235 6.040170 2.796742 5.216091 2.405212 2.401335 1.390077 7.504294 6.315732 7.008932 3.786075 1.391040 0.000000 10.294920 5.931237 6.314265 7.878493 4.454965 2.194238 4.450856 1.386791 3.564444 4.257714 5.587956 5.792720 6.900319 6.763632 6.454414 8.092444 1.361898 8.114246 2.146236 6.617837 7.833986 8.552329 0.000000 5.728096 3.480722 4.782753 4.994249 2.089295 3.358499 2.620665 5.560632 2.130232 1.093368 2.656544 2.508382 2.845943 3.281016 2.766292 4.055047 4.006663 4.188833 4.559765 3.968222 3.655775 4.205719 5.282234 0.000000 7.485608 3.957891 5.421823 5.927695 2.081099 2.652647 3.240996 4.613793 2.149518 1.099168 2.709852 3.799667 3.666462 4.596638 4.283872 5.604690 2.782201 4.807692 3.934780 4.839696 5.354378 5.924615 4.045891 1.775271 0.000000 7.857268 6.034757 7.475748 7.732860 2.080906 4.569768 4.993828 6.491257 3.997990 2.552028 1.100189 5.162930 2.174718 6.083446 4.990439 6.728653 4.302931 2.777789 5.952394 6.735660 5.763453 6.581809 5.613643 2.815733 2.412686 0.000000 8.128930 7.051881 8.102948 8.638384 2.015959 4.847336 5.302469 6.650509 4.384496 3.260260 1.092848 5.496987 2.162315 6.662355 4.989563 7.272998 4.497905 2.778145 6.181472 7.527919 5.781355 6.881126 5.736547 3.683502 3.538225 1.770390 0.000000 5.465656 5.461521 6.695388 6.547768 2.747442 5.296789 4.532520 7.505658 4.135568 2.888498 2.163314 3.993140 1.094534 4.696102 3.425777 4.884867 5.665317 2.161650 6.585825 5.741404 3.686890 4.428231 7.019173 2.246370 3.431725 2.533110 3.067914 0.000000 5.900223 6.570448 7.399823 7.610971 2.685740 5.523819 4.877563 7.625153 4.505321 3.519415 2.140213 4.437931 1.094446 5.447626 3.462633 5.643805 5.790604 2.170367 6.781268 6.665638 3.766559 4.906976 7.092790 3.269939 4.277506 3.062978 2.482328 1.756088 0.000000 4.878426 4.969878 5.043990 5.752914 2.900854 4.092954 2.648056 6.050523 2.963251 3.072597 3.730018 2.142338 3.496812 3.391424 1.082966 3.868540 4.957741 4.950111 4.965043 4.659614 2.150310 3.387111 6.038294 2.897249 4.171521 4.598762 4.264742 3.350280 2.912772 0.000000 2.860815 3.705113 3.658014 2.344206 6.680312 6.735891 4.581636 8.422976 5.517018 5.755801 7.270718 3.412119 6.666792 2.149424 3.866432 1.080846 7.983870 7.769707 7.135956 2.710295 3.396230 2.148033 8.885087 4.899601 6.374420 7.569533 8.239491 5.717267 6.609728 4.949362 0.000000 9.228648 5.650383 6.536532 7.660513 2.561946 2.164877 4.055400 3.319937 2.826836 2.695363 3.451764 5.090651 4.866944 6.193346 5.445206 7.351625 1.075149 5.960160 3.250484 6.403685 6.733290 7.577258 2.234385 3.779801 2.427068 3.424712 3.596836 5.110171 5.198513 4.926450 8.227189 0.000000 6.590721 7.910719 9.128806 8.823525 4.637406 7.552871 6.938564 9.695669 6.508699 5.214065 3.483974 6.331133 2.177382 6.994007 5.464682 6.889600 7.681684 1.092276 8.885565 8.138707 5.336509 6.103760 9.031164 4.728223 5.617816 3.785824 3.775703 2.502060 2.513639 5.221529 7.640720 6.926687 0.000000 7.906807 8.377366 9.572867 9.613257 4.115752 7.141145 7.032145 9.116581 6.359335 5.050888 2.789791 6.748655 2.181241 7.667695 5.934677 7.842523 6.977766 1.094331 8.501833 8.736592 6.162886 7.147085 8.267419 4.936692 5.353398 3.126150 2.589846 3.078723 2.533128 5.406408 8.705901 6.090772 1.765673 0.000000 7.585294 7.526318 9.028165 8.784060 4.150016 6.956895 6.787984 9.006490 6.093090 4.623396 2.803784 6.456566 2.182143 7.144061 5.908088 7.307665 6.864541 1.094352 8.336300 8.042317 6.111175 6.822374 8.194561 4.317038 4.693341 2.601767 3.155894 2.524856 3.085579 5.650498 8.041076 6.006760 1.765010 1.767521 0.000000 8.336480 3.984353 3.443379 5.396209 4.963602 2.151792 2.618838 2.134989 2.777692 4.240152 6.355959 3.915845 7.142751 4.540393 4.951722 5.898972 3.250877 8.616658 1.077646 4.173655 6.218266 6.609838 3.201568 4.805715 4.511095 6.610945 6.869873 6.885279 7.128303 4.960565 6.559071 4.226427 9.263201 9.053527 8.852820 0.000000 2.866348 6.005441 6.038316 6.016521 4.907956 6.425608 4.581025 8.421085 5.140837 4.973394 5.194987 3.411006 4.209913 3.872444 2.150932 3.396664 7.344000 5.238041 7.250545 5.379882 1.082571 2.148716 8.468701 4.313318 5.987354 6.000833 5.782824 3.813115 3.523347 2.485207 4.287246 7.233684 4.978134 5.844960 6.023631 7.064903 0.000000 11.327667 6.928309 7.355176 8.910244 5.190397 3.250191 5.519834 2.154539 4.590762 5.131422 6.186019 6.849314 7.588826 7.832288 7.457838 9.155644 2.195702 8.697330 3.167413 7.667829 8.835551 9.592351 1.078564 6.186274 4.813243 6.141182 6.196449 7.798812 7.813200 6.978830 9.948999 2.752511 9.667764 8.753922 8.731726 4.186546 9.426324 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2620364 0.1724942 0.1154742 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= 604 RedAO= T EigKep= 1.33D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 7.09D-07 NBFU= 602 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= 619 619 619 619 619 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.18878324323 -1580.18878324 1 1.574901770232e+03 -7.956801711934e+03 2.681250463925e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245924705 LenY= 4245530949 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. PT849.400S Fri Dec 10 23:07:53 2021 GINC-BELVIS4 PAULAPLA 10-Dec-2021 0 Wavefunction triflumizole_E CONF265 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.1887832 RMSD=5.227e-09 Dipole=0.0724221,2.4614287,-0.7490342 Quadrupole=-2.0813455,-0.2000391,2.2813845,10.4056763,-6.3334571,0.8420454 PG=C01 [X(C15H15Cl1F3N3O1)] 0 -4.890744278 1.5085517617 0.3262377365 0 -0.5764689271 -2.3448202727 -1.6156431993 0 -1.2320247945 -3.3493979896 0.1993662938 0 -2.6709365789 -2.863761836 -1.3507888507 0 2.1764983884 1.7303180408 0.0539819196 0 2.7451401282 -1.2209271687 0.4990212494 0 0.4749479098 -1.0220557036 0.7452014399 0 4.1242555193 -2.8344825993 1.1717672881 0 1.5407929175 -0.5535060281 0.2359278425 0 1.6334351897 0.6481267239 -0.6852169095 0 2.2185366004 2.9659670877 -0.6696735076 0 -0.7655662785 -0.3990687346 0.5920253315 0 0.8719119754 3.6863981478 -0.7115416135 0 -1.823718781 -1.061683647 -0.0585305117 0 -1.0145553169 0.8557854107 1.1645788712 0 -3.0833674794 -0.4737122557 -0.1438929255 0 4.0422467201 -0.7676444843 0.2546236678 0 0.972331793 5.0294784262 -1.4409214544 0 2.8748795112 -2.4832305696 1.0614309031 0 -1.5790667517 -2.4042034722 -0.6992590828 0 -2.2721078444 1.4415119136 1.0888333252 0 -3.3001694907 0.7723484991 0.4328586122 0 4.8622636118 -1.7685535542 0.6794997511 0 0.6307207015 0.8720861139 -1.0591955742 0 2.2721856049 0.4020162408 -1.5452155283 0 2.5952819909 2.7887011887 -1.6880328736 0 2.9559981068 3.5787635963 -0.1453191539 0 0.1236451056 3.055817366 -1.2019181773 0 0.5308495462 3.83639969 0.3175292992 0 -0.203642351 1.3641559208 1.6713278663 0 -3.8863865759 -0.9828451495 -0.6578704803 0 4.2356972131 0.2173078417 -0.1305913082 0 0.0081503968 5.5425859599 -1.4528087026 0 1.6956004972 5.6914294929 -0.9548528283 0 1.2894138453 4.8951645598 -2.4796828155 0 2.0075292437 -3.0632590769 1.3308577683 0 -2.4531441641 2.4115928625 1.5339510096 0 5.940566785 -1.7900691122 0.6695188623 Gaussian 16 10-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H15ClF3N3O)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triflumizole_E/gas/CONF265/op #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum triflumizole_E CONF265 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 35 19 19 19 16 14 14 14 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 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 1 1 0 2 2 2 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 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 627 A 604 A 604 965 627 89 89 2120.5011564507 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0404619179 0.000000 6.101832 0.000000 6.082927 2.175589 0.000000 5.182383 2.173992 2.170090 0.000000 7.075961 5.193576 6.119043 6.824703 0.000000 8.110896 4.094878 4.520843 5.954376 3.038299 0.000000 5.947282 2.903235 2.937382 4.204955 3.308870 2.292145 0.000000 10.042265 5.486915 5.468130 7.248364 5.087299 2.226681 4.096864 0.000000 6.754621 3.334654 3.937876 5.059013 2.377620 1.401828 1.270797 3.571124 0.000000 6.657949 3.834984 4.997355 5.594995 1.418616 2.476221 2.485498 4.667027 1.516909 0.000000 7.325147 6.075473 7.248823 7.639150 1.432576 4.378726 4.576713 6.377138 3.696774 2.390600 0.000000 4.552664 2.948815 3.012674 3.671468 3.671447 3.606821 1.396586 5.493423 2.338792 2.912589 4.671212 0.000000 6.247256 6.268238 7.399914 7.474290 2.472695 5.390388 4.944615 7.526385 4.395667 3.132364 1.527800 4.590388 0.000000 4.020050 2.372061 2.377025 2.373857 4.879515 4.605507 2.435451 6.327310 3.415390 3.907442 5.738928 1.407824 5.498830 0.000000 4.019174 4.262092 4.320011 4.785991 3.490137 4.346379 2.433266 6.326571 3.062401 3.236776 4.274369 1.401596 3.884708 2.414007 0.000000 2.723418 3.457114 3.437276 2.709065 5.706408 5.911275 3.708474 7.697664 4.640419 4.878502 6.341768 2.432971 5.768273 1.392735 2.785614 0.000000 9.218705 5.226654 5.872516 7.213729 3.124274 1.395593 3.609849 2.262675 2.510672 2.947894 4.256771 4.833710 5.551846 5.881673 5.388394 7.142800 0.000000 7.063670 7.537214 8.817897 8.693950 3.816964 6.780398 6.453494 8.865813 5.857020 4.494929 2.530994 6.051635 1.531647 6.843330 5.306229 6.958167 6.775388 0.000000 8.762405 4.370090 4.284865 6.059677 4.388244 1.388001 2.827491 1.302495 2.486982 3.794385 5.755108 4.221009 6.724554 5.035071 5.127121 6.402474 2.226414 8.143847 0.000000 5.227667 1.359591 1.349577 1.351985 5.636125 4.640559 2.866317 6.017787 3.746089 4.431375 6.577340 2.519874 6.565278 1.507563 3.797380 2.509611 5.931895 7.894259 4.789980 0.000000 2.728242 4.952342 4.982544 4.964494 4.576508 5.710450 3.705882 7.694444 4.386999 4.362337 5.057885 2.429861 4.262127 2.789890 1.389335 2.417817 6.741465 5.458897 6.472699 4.297337 0.000000 1.755930 4.618619 4.617417 4.098613 5.572714 6.365791 4.191534 8.287177 5.023106 5.060235 6.040170 2.796742 5.216091 2.405212 2.401335 1.390077 7.504294 6.315732 7.008932 3.786075 1.391040 0.000000 10.294920 5.931237 6.314265 7.878493 4.454965 2.194238 4.450856 1.386791 3.564444 4.257714 5.587956 5.792720 6.900319 6.763632 6.454414 8.092444 1.361898 8.114246 2.146236 6.617837 7.833986 8.552329 0.000000 5.728096 3.480722 4.782753 4.994249 2.089295 3.358499 2.620665 5.560632 2.130232 1.093368 2.656544 2.508382 2.845943 3.281016 2.766292 4.055047 4.006663 4.188833 4.559765 3.968222 3.655775 4.205719 5.282234 0.000000 7.485608 3.957891 5.421823 5.927695 2.081099 2.652647 3.240996 4.613793 2.149518 1.099168 2.709852 3.799667 3.666462 4.596638 4.283872 5.604690 2.782201 4.807692 3.934780 4.839696 5.354378 5.924615 4.045891 1.775271 0.000000 7.857268 6.034757 7.475748 7.732860 2.080906 4.569768 4.993828 6.491257 3.997990 2.552028 1.100189 5.162930 2.174718 6.083446 4.990439 6.728653 4.302931 2.777789 5.952394 6.735660 5.763453 6.581809 5.613643 2.815733 2.412686 0.000000 8.128930 7.051881 8.102948 8.638384 2.015959 4.847336 5.302469 6.650509 4.384496 3.260260 1.092848 5.496987 2.162315 6.662355 4.989563 7.272998 4.497905 2.778145 6.181472 7.527919 5.781355 6.881126 5.736547 3.683502 3.538225 1.770390 0.000000 5.465656 5.461521 6.695388 6.547768 2.747442 5.296789 4.532520 7.505658 4.135568 2.888498 2.163314 3.993140 1.094534 4.696102 3.425777 4.884867 5.665317 2.161650 6.585825 5.741404 3.686890 4.428231 7.019173 2.246370 3.431725 2.533110 3.067914 0.000000 5.900223 6.570448 7.399823 7.610971 2.685740 5.523819 4.877563 7.625153 4.505321 3.519415 2.140213 4.437931 1.094446 5.447626 3.462633 5.643805 5.790604 2.170367 6.781268 6.665638 3.766559 4.906976 7.092790 3.269939 4.277506 3.062978 2.482328 1.756088 0.000000 4.878426 4.969878 5.043990 5.752914 2.900854 4.092954 2.648056 6.050523 2.963251 3.072597 3.730018 2.142338 3.496812 3.391424 1.082966 3.868540 4.957741 4.950111 4.965043 4.659614 2.150310 3.387111 6.038294 2.897249 4.171521 4.598762 4.264742 3.350280 2.912772 0.000000 2.860815 3.705113 3.658014 2.344206 6.680312 6.735891 4.581636 8.422976 5.517018 5.755801 7.270718 3.412119 6.666792 2.149424 3.866432 1.080846 7.983870 7.769707 7.135956 2.710295 3.396230 2.148033 8.885087 4.899601 6.374420 7.569533 8.239491 5.717267 6.609728 4.949362 0.000000 9.228648 5.650383 6.536532 7.660513 2.561946 2.164877 4.055400 3.319937 2.826836 2.695363 3.451764 5.090651 4.866944 6.193346 5.445206 7.351625 1.075149 5.960160 3.250484 6.403685 6.733290 7.577258 2.234385 3.779801 2.427068 3.424712 3.596836 5.110171 5.198513 4.926450 8.227189 0.000000 6.590721 7.910719 9.128806 8.823525 4.637406 7.552871 6.938564 9.695669 6.508699 5.214065 3.483974 6.331133 2.177382 6.994007 5.464682 6.889600 7.681684 1.092276 8.885565 8.138707 5.336509 6.103760 9.031164 4.728223 5.617816 3.785824 3.775703 2.502060 2.513639 5.221529 7.640720 6.926687 0.000000 7.906807 8.377366 9.572867 9.613257 4.115752 7.141145 7.032145 9.116581 6.359335 5.050888 2.789791 6.748655 2.181241 7.667695 5.934677 7.842523 6.977766 1.094331 8.501833 8.736592 6.162886 7.147085 8.267419 4.936692 5.353398 3.126150 2.589846 3.078723 2.533128 5.406408 8.705901 6.090772 1.765673 0.000000 7.585294 7.526318 9.028165 8.784060 4.150016 6.956895 6.787984 9.006490 6.093090 4.623396 2.803784 6.456566 2.182143 7.144061 5.908088 7.307665 6.864541 1.094352 8.336300 8.042317 6.111175 6.822374 8.194561 4.317038 4.693341 2.601767 3.155894 2.524856 3.085579 5.650498 8.041076 6.006760 1.765010 1.767521 0.000000 8.336480 3.984353 3.443379 5.396209 4.963602 2.151792 2.618838 2.134989 2.777692 4.240152 6.355959 3.915845 7.142751 4.540393 4.951722 5.898972 3.250877 8.616658 1.077646 4.173655 6.218266 6.609838 3.201568 4.805715 4.511095 6.610945 6.869873 6.885279 7.128303 4.960565 6.559071 4.226427 9.263201 9.053527 8.852820 0.000000 2.866348 6.005441 6.038316 6.016521 4.907956 6.425608 4.581025 8.421085 5.140837 4.973394 5.194987 3.411006 4.209913 3.872444 2.150932 3.396664 7.344000 5.238041 7.250545 5.379882 1.082571 2.148716 8.468701 4.313318 5.987354 6.000833 5.782824 3.813115 3.523347 2.485207 4.287246 7.233684 4.978134 5.844960 6.023631 7.064903 0.000000 11.327667 6.928309 7.355176 8.910244 5.190397 3.250191 5.519834 2.154539 4.590762 5.131422 6.186019 6.849314 7.588826 7.832288 7.457838 9.155644 2.195702 8.697330 3.167413 7.667829 8.835551 9.592351 1.078564 6.186274 4.813243 6.141182 6.196449 7.798812 7.813200 6.978830 9.948999 2.752511 9.667764 8.753922 8.731726 4.186546 9.426324 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2620364 0.1724942 0.1154742 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= 604 RedAO= T EigKep= 1.33D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 7.09D-07 NBFU= 602 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= 619 619 619 619 619 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.18878324323 -1580.18878324 1 1.574901770232e+03 -7.956801711934e+03 2.681250463925e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245924705 LenY= 4245530949 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 3.9034 317.63 0.1464 0.000 88 90 0.23367 89 90 0.64597 -1580.04533690 2 Singlet-A 4.1116 301.55 0.0119 0.000 88 90 0.63961 89 90 -0.25653 3 Singlet-A 4.5790 270.77 0.0224 0.000 84 90 0.16820 84 92 0.13795 88 91 0.31631 89 91 0.57646 4 Singlet-A 4.8096 257.78 0.0172 0.000 87 90 0.65459 87 91 -0.13369 87 92 -0.10297 88 91 0.10485 89 91 -0.13645 5 Singlet-A 4.8553 255.36 0.0025 0.000 84 90 0.10658 87 90 -0.16120 88 91 0.56769 89 91 -0.34849 6 Singlet-A 4.9970 248.12 0.1256 0.000 84 90 0.14596 85 90 -0.25950 86 90 0.59058 89 92 -0.19794 7 Singlet-A 5.1326 241.56 0.1240 0.000 85 90 -0.33175 89 92 0.60596 8 Singlet-A 5.2409 236.57 0.2199 0.000 85 90 0.45129 86 90 0.22196 88 92 -0.40621 89 92 0.22483 9 Singlet-A 5.3768 230.59 0.0106 0.000 84 90 0.43684 85 90 -0.13767 86 90 -0.24780 88 92 -0.40608 10 Singlet-A 5.5220 224.53 0.0903 0.000 84 90 0.45965 84 91 -0.17203 84 92 -0.10626 85 90 0.22374 86 91 0.15931 88 91 -0.14866 88 92 0.31556 89 92 0.11787 PT34087.600S Fri Dec 10 23:33:09 2021 GINC-BELVIS4 PAULAPLA 10-Dec-2021 0 Electronic spectrum triflumizole_E CONF265 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.1887832 RMSD=6.797e-09 PG=C01 [X(C15H15Cl1F3N3O1)] 0 -4.890744278 1.5085517617 0.3262377365 0 -0.5764689271 -2.3448202727 -1.6156431993 0 -1.2320247945 -3.3493979896 0.1993662938 0 -2.6709365789 -2.863761836 -1.3507888507 0 2.1764983884 1.7303180408 0.0539819196 0 2.7451401282 -1.2209271687 0.4990212494 0 0.4749479098 -1.0220557036 0.7452014399 0 4.1242555193 -2.8344825993 1.1717672881 0 1.5407929175 -0.5535060281 0.2359278425 0 1.6334351897 0.6481267239 -0.6852169095 0 2.2185366004 2.9659670877 -0.6696735076 0 -0.7655662785 -0.3990687346 0.5920253315 0 0.8719119754 3.6863981478 -0.7115416135 0 -1.823718781 -1.061683647 -0.0585305117 0 -1.0145553169 0.8557854107 1.1645788712 0 -3.0833674794 -0.4737122557 -0.1438929255 0 4.0422467201 -0.7676444843 0.2546236678 0 0.972331793 5.0294784262 -1.4409214544 0 2.8748795112 -2.4832305696 1.0614309031 0 -1.5790667517 -2.4042034722 -0.6992590828 0 -2.2721078444 1.4415119136 1.0888333252 0 -3.3001694907 0.7723484991 0.4328586122 0 4.8622636118 -1.7685535542 0.6794997511 0 0.6307207015 0.8720861139 -1.0591955742 0 2.2721856049 0.4020162408 -1.5452155283 0 2.5952819909 2.7887011887 -1.6880328736 0 2.9559981068 3.5787635963 -0.1453191539 0 0.1236451056 3.055817366 -1.2019181773 0 0.5308495462 3.83639969 0.3175292992 0 -0.203642351 1.3641559208 1.6713278663 0 -3.8863865759 -0.9828451495 -0.6578704803 0 4.2356972131 0.2173078417 -0.1305913082 0 0.0081503968 5.5425859599 -1.4528087026 0 1.6956004972 5.6914294929 -0.9548528283 0 1.2894138453 4.8951645598 -2.4796828155 0 2.0075292437 -3.0632590769 1.3308577683 0 -2.4531441641 2.4115928625 1.5339510096 0 5.940566785 -1.7900691122 0.6695188623 Gaussian 16 10-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H15ClF3N3O)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triflumizole_E/gas/CONF265/op #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point triflumizole_E CONF265 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 35 19 19 19 16 14 14 14 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 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 1 1 0 2 2 2 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 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 1178 A 1040 A 1040 1516 1178 89 89 2120.5011564507 38 38 38 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0404619179 0.000000 6.101832 0.000000 6.082927 2.175589 0.000000 5.182383 2.173992 2.170090 0.000000 7.075961 5.193576 6.119043 6.824703 0.000000 8.110896 4.094878 4.520843 5.954376 3.038299 0.000000 5.947282 2.903235 2.937382 4.204955 3.308870 2.292145 0.000000 10.042265 5.486915 5.468130 7.248364 5.087299 2.226681 4.096864 0.000000 6.754621 3.334654 3.937876 5.059013 2.377620 1.401828 1.270797 3.571124 0.000000 6.657949 3.834984 4.997355 5.594995 1.418616 2.476221 2.485498 4.667027 1.516909 0.000000 7.325147 6.075473 7.248823 7.639150 1.432576 4.378726 4.576713 6.377138 3.696774 2.390600 0.000000 4.552664 2.948815 3.012674 3.671468 3.671447 3.606821 1.396586 5.493423 2.338792 2.912589 4.671212 0.000000 6.247256 6.268238 7.399914 7.474290 2.472695 5.390388 4.944615 7.526385 4.395667 3.132364 1.527800 4.590388 0.000000 4.020050 2.372061 2.377025 2.373857 4.879515 4.605507 2.435451 6.327310 3.415390 3.907442 5.738928 1.407824 5.498830 0.000000 4.019174 4.262092 4.320011 4.785991 3.490137 4.346379 2.433266 6.326571 3.062401 3.236776 4.274369 1.401596 3.884708 2.414007 0.000000 2.723418 3.457114 3.437276 2.709065 5.706408 5.911275 3.708474 7.697664 4.640419 4.878502 6.341768 2.432971 5.768273 1.392735 2.785614 0.000000 9.218705 5.226654 5.872516 7.213729 3.124274 1.395593 3.609849 2.262675 2.510672 2.947894 4.256771 4.833710 5.551846 5.881673 5.388394 7.142800 0.000000 7.063670 7.537214 8.817897 8.693950 3.816964 6.780398 6.453494 8.865813 5.857020 4.494929 2.530994 6.051635 1.531647 6.843330 5.306229 6.958167 6.775388 0.000000 8.762405 4.370090 4.284865 6.059677 4.388244 1.388001 2.827491 1.302495 2.486982 3.794385 5.755108 4.221009 6.724554 5.035071 5.127121 6.402474 2.226414 8.143847 0.000000 5.227667 1.359591 1.349577 1.351985 5.636125 4.640559 2.866317 6.017787 3.746089 4.431375 6.577340 2.519874 6.565278 1.507563 3.797380 2.509611 5.931895 7.894259 4.789980 0.000000 2.728242 4.952342 4.982544 4.964494 4.576508 5.710450 3.705882 7.694444 4.386999 4.362337 5.057885 2.429861 4.262127 2.789890 1.389335 2.417817 6.741465 5.458897 6.472699 4.297337 0.000000 1.755930 4.618619 4.617417 4.098613 5.572714 6.365791 4.191534 8.287177 5.023106 5.060235 6.040170 2.796742 5.216091 2.405212 2.401335 1.390077 7.504294 6.315732 7.008932 3.786075 1.391040 0.000000 10.294920 5.931237 6.314265 7.878493 4.454965 2.194238 4.450856 1.386791 3.564444 4.257714 5.587956 5.792720 6.900319 6.763632 6.454414 8.092444 1.361898 8.114246 2.146236 6.617837 7.833986 8.552329 0.000000 5.728096 3.480722 4.782753 4.994249 2.089295 3.358499 2.620665 5.560632 2.130232 1.093368 2.656544 2.508382 2.845943 3.281016 2.766292 4.055047 4.006663 4.188833 4.559765 3.968222 3.655775 4.205719 5.282234 0.000000 7.485608 3.957891 5.421823 5.927695 2.081099 2.652647 3.240996 4.613793 2.149518 1.099168 2.709852 3.799667 3.666462 4.596638 4.283872 5.604690 2.782201 4.807692 3.934780 4.839696 5.354378 5.924615 4.045891 1.775271 0.000000 7.857268 6.034757 7.475748 7.732860 2.080906 4.569768 4.993828 6.491257 3.997990 2.552028 1.100189 5.162930 2.174718 6.083446 4.990439 6.728653 4.302931 2.777789 5.952394 6.735660 5.763453 6.581809 5.613643 2.815733 2.412686 0.000000 8.128930 7.051881 8.102948 8.638384 2.015959 4.847336 5.302469 6.650509 4.384496 3.260260 1.092848 5.496987 2.162315 6.662355 4.989563 7.272998 4.497905 2.778145 6.181472 7.527919 5.781355 6.881126 5.736547 3.683502 3.538225 1.770390 0.000000 5.465656 5.461521 6.695388 6.547768 2.747442 5.296789 4.532520 7.505658 4.135568 2.888498 2.163314 3.993140 1.094534 4.696102 3.425777 4.884867 5.665317 2.161650 6.585825 5.741404 3.686890 4.428231 7.019173 2.246370 3.431725 2.533110 3.067914 0.000000 5.900223 6.570448 7.399823 7.610971 2.685740 5.523819 4.877563 7.625153 4.505321 3.519415 2.140213 4.437931 1.094446 5.447626 3.462633 5.643805 5.790604 2.170367 6.781268 6.665638 3.766559 4.906976 7.092790 3.269939 4.277506 3.062978 2.482328 1.756088 0.000000 4.878426 4.969878 5.043990 5.752914 2.900854 4.092954 2.648056 6.050523 2.963251 3.072597 3.730018 2.142338 3.496812 3.391424 1.082966 3.868540 4.957741 4.950111 4.965043 4.659614 2.150310 3.387111 6.038294 2.897249 4.171521 4.598762 4.264742 3.350280 2.912772 0.000000 2.860815 3.705113 3.658014 2.344206 6.680312 6.735891 4.581636 8.422976 5.517018 5.755801 7.270718 3.412119 6.666792 2.149424 3.866432 1.080846 7.983870 7.769707 7.135956 2.710295 3.396230 2.148033 8.885087 4.899601 6.374420 7.569533 8.239491 5.717267 6.609728 4.949362 0.000000 9.228648 5.650383 6.536532 7.660513 2.561946 2.164877 4.055400 3.319937 2.826836 2.695363 3.451764 5.090651 4.866944 6.193346 5.445206 7.351625 1.075149 5.960160 3.250484 6.403685 6.733290 7.577258 2.234385 3.779801 2.427068 3.424712 3.596836 5.110171 5.198513 4.926450 8.227189 0.000000 6.590721 7.910719 9.128806 8.823525 4.637406 7.552871 6.938564 9.695669 6.508699 5.214065 3.483974 6.331133 2.177382 6.994007 5.464682 6.889600 7.681684 1.092276 8.885565 8.138707 5.336509 6.103760 9.031164 4.728223 5.617816 3.785824 3.775703 2.502060 2.513639 5.221529 7.640720 6.926687 0.000000 7.906807 8.377366 9.572867 9.613257 4.115752 7.141145 7.032145 9.116581 6.359335 5.050888 2.789791 6.748655 2.181241 7.667695 5.934677 7.842523 6.977766 1.094331 8.501833 8.736592 6.162886 7.147085 8.267419 4.936692 5.353398 3.126150 2.589846 3.078723 2.533128 5.406408 8.705901 6.090772 1.765673 0.000000 7.585294 7.526318 9.028165 8.784060 4.150016 6.956895 6.787984 9.006490 6.093090 4.623396 2.803784 6.456566 2.182143 7.144061 5.908088 7.307665 6.864541 1.094352 8.336300 8.042317 6.111175 6.822374 8.194561 4.317038 4.693341 2.601767 3.155894 2.524856 3.085579 5.650498 8.041076 6.006760 1.765010 1.767521 0.000000 8.336480 3.984353 3.443379 5.396209 4.963602 2.151792 2.618838 2.134989 2.777692 4.240152 6.355959 3.915845 7.142751 4.540393 4.951722 5.898972 3.250877 8.616658 1.077646 4.173655 6.218266 6.609838 3.201568 4.805715 4.511095 6.610945 6.869873 6.885279 7.128303 4.960565 6.559071 4.226427 9.263201 9.053527 8.852820 0.000000 2.866348 6.005441 6.038316 6.016521 4.907956 6.425608 4.581025 8.421085 5.140837 4.973394 5.194987 3.411006 4.209913 3.872444 2.150932 3.396664 7.344000 5.238041 7.250545 5.379882 1.082571 2.148716 8.468701 4.313318 5.987354 6.000833 5.782824 3.813115 3.523347 2.485207 4.287246 7.233684 4.978134 5.844960 6.023631 7.064903 0.000000 11.327667 6.928309 7.355176 8.910244 5.190397 3.250191 5.519834 2.154539 4.590762 5.131422 6.186019 6.849314 7.588826 7.832288 7.457838 9.155644 2.195702 8.697330 3.167413 7.667829 8.835551 9.592351 1.078564 6.186274 4.813243 6.141182 6.196449 7.798812 7.813200 6.978830 9.948999 2.752511 9.667764 8.753922 8.731726 4.186546 9.426324 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2620364 0.1724942 0.1154742 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= 1040 RedAO= T EigKep= 1.33D-06 NBF= 1040 NBsUse= 1036 1.00D-06 EigRej= 9.54D-07 NBFU= 1036 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= 1156 1156 1156 1156 1156 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.19295179599 -1580.23171430649 -0.038762510505 -1580.27048909727 -0.038774790776 -1580.27119938070 -0.000710283436 -1580.27125978571 -0.000060405009 -1580.27126622662 -0.000006440905 -1580.27126787845 -0.000001651829 -1580.27126794041 -0.000000061965 -1580.27126796581 -0.000000025403 -1580.27126796658 -0.000000000766 -1580.27126796633 0.000000000255 -1580.27126796640 -0.000000000073 -1580.27126797 12 1.574512530219e+03 -7.956999256068e+03 2.681754763350e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4243918545 LenY= 4242529683 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. PT34659.400S Fri Dec 10 23:59:10 2021 GINC-BELVIS4 PAULAPLA 10-Dec-2021 0 Single Point triflumizole_E CONF265 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.271268 RMSD=4.700e-09 Dipole=0.1025252,2.364654,-0.7140995 Quadrupole=-2.3223042,-0.0296776,2.3519818,10.279824,-6.0752973,0.8423352 PG=C01 [X(C15H15Cl1F3N3O1)] 0 -4.890744278 1.5085517617 0.3262377365 0 -0.5764689271 -2.3448202727 -1.6156431993 0 -1.2320247945 -3.3493979896 0.1993662938 0 -2.6709365789 -2.863761836 -1.3507888507 0 2.1764983884 1.7303180408 0.0539819196 0 2.7451401282 -1.2209271687 0.4990212494 0 0.4749479098 -1.0220557036 0.7452014399 0 4.1242555193 -2.8344825993 1.1717672881 0 1.5407929175 -0.5535060281 0.2359278425 0 1.6334351897 0.6481267239 -0.6852169095 0 2.2185366004 2.9659670877 -0.6696735076 0 -0.7655662785 -0.3990687346 0.5920253315 0 0.8719119754 3.6863981478 -0.7115416135 0 -1.823718781 -1.061683647 -0.0585305117 0 -1.0145553169 0.8557854107 1.1645788712 0 -3.0833674794 -0.4737122557 -0.1438929255 0 4.0422467201 -0.7676444843 0.2546236678 0 0.972331793 5.0294784262 -1.4409214544 0 2.8748795112 -2.4832305696 1.0614309031 0 -1.5790667517 -2.4042034722 -0.6992590828 0 -2.2721078444 1.4415119136 1.0888333252 0 -3.3001694907 0.7723484991 0.4328586122 0 4.8622636118 -1.7685535542 0.6794997511 0 0.6307207015 0.8720861139 -1.0591955742 0 2.2721856049 0.4020162408 -1.5452155283 0 2.5952819909 2.7887011887 -1.6880328736 0 2.9559981068 3.5787635963 -0.1453191539 0 0.1236451056 3.055817366 -1.2019181773 0 0.5308495462 3.83639969 0.3175292992 0 -0.203642351 1.3641559208 1.6713278663 0 -3.8863865759 -0.9828451495 -0.6578704803 0 4.2356972131 0.2173078417 -0.1305913082 0 0.0081503968 5.5425859599 -1.4528087026 0 1.6956004972 5.6914294929 -0.9548528283 0 1.2894138453 4.8951645598 -2.4796828155 0 2.0075292437 -3.0632590769 1.3308577683 0 -2.4531441641 2.4115928625 1.5339510096 0 5.940566785 -1.7900691122 0.6695188623