Gaussian 16 GINC-DEPAZ13 PAULAPLA Optimization triflumizole_E CONF172 water EM64L-G16RevC.01 13-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 scrf=(smd,Solvent=Water) 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-2950904/Gau-12148.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2950904/" chk=/home/paulapla/almacen/ADAMA/censo_results/triflumizole_E/water/CONF172/opt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=1/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization triflumizole_E CONF172 water 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 1.7302 1.3413 1.3357 1.3372 1.4055 1.4181 1.3934 1.3812 1.3695 1.265 1.3903 1.2956 1.3763 1.5054 1.0977 1.0931 1.519 1.0919 1.0985 1.3996 1.3924 1.5219 1.0928 1.0932 1.3866 1.4977 1.3833 1.0819 1.3843 1.0807 1.353 1.0748 1.0911 1.0913 1.0895 1.0771 1.3842 1.0812 1.0778 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 38 113.8505 126.1864 127.321 106.4916 121.6866 105.6043 117.4271 115.9639 126.6079 106.8621 111.9146 112.631 109.5951 109.1969 106.6192 114.0076 105.5767 109.9991 109.7944 109.9592 107.2116 120.0483 120.9946 118.8295 110.6307 109.317 110.5984 110.0156 109.2434 106.9659 120.5079 119.2831 120.1956 120.8842 119.5135 119.6007 119.4331 120.9154 119.6514 105.3853 122.5507 132.0608 111.4067 111.4295 111.1599 107.5882 107.4756 107.5798 111.7856 123.4063 124.808 106.6958 106.899 111.6113 106.7442 112.2397 112.2822 119.393 119.8357 120.7712 119.2836 119.7658 120.9506 110.7328 121.6554 127.6116 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 -169.8049 -49.8268 70.2868 -72.9246 166.4775 51.1143 -2.3792 177.2627 177.2073 -3.1508 179.8609 -0.722 0.2038 179.6209 -179.7758 0.1066 -0.1238 179.7585 -177.3257 3.0754 -115.2158 68.9376 -0.0101 -179.8905 0.1466 -179.6711 71.8112 -49.6464 -166.0962 -108.5847 129.9577 13.5079 -176.0174 -54.7175 62.8034 -57.8066 63.4934 -178.9858 59.9222 -178.7779 -61.257 -176.2786 5.0515 -0.3425 -179.0124 175.9947 -3.5479 0.0984 -179.4442 -60.2611 59.907 179.8966 178.853 -60.9789 59.0107 61.717 -178.1149 -58.1252 0.4952 -179.4083 179.153 -0.7506 56.2381 175.963 -63.777 -122.4361 -2.7112 117.5489 -0.0105 179.8649 179.5317 -0.5929 179.5857 -0.4069 -0.5095 179.4979 -0.2193 179.5849 -179.5575 0.2466 -179.8271 0.1655 0.2987 -179.7088 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2128.1911699667 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= 1.35D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 7.08D-07 NBFU= 602 Berny optimization. local minimum Step number 15 out of a maximum of 199 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00263 0.00390 0.00459 0.00507 0.00821 0.00982 0.01102 0.01496 0.01636 0.01769 0.01916 0.02161 0.02191 0.02252 0.02267 0.02280 0.02296 0.02297 0.02304 0.02319 0.02462 0.02521 0.02639 0.03654 0.03798 0.04647 0.04928 0.04961 0.05576 0.05588 0.05671 0.07220 0.07472 0.08143 0.10547 0.11392 0.11795 0.12046 0.12863 0.13871 0.14134 0.15528 0.15966 0.15982 0.16000 0.16003 0.16008 0.16015 0.16024 0.16054 0.19777 0.21887 0.22057 0.22407 0.22726 0.23205 0.23529 0.24081 0.24580 0.24906 0.24925 0.24992 0.25130 0.25184 0.25932 0.26572 0.27533 0.29064 0.29990 0.30289 0.31235 0.32321 0.32782 0.33835 0.34059 0.34321 0.34473 0.34505 0.34602 0.34668 0.34721 0.34890 0.35398 0.35772 0.35850 0.35976 0.36275 0.36494 0.36639 0.40206 0.43398 0.43504 0.44158 0.44552 0.46379 0.46690 0.47181 0.47326 0.48263 0.48333 0.49967 0.50013 0.52641 0.53269 0.55954 0.58126 0.64911 0.84742 -4.59621315e-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 3.33192 2.57208 2.55414 2.56775 2.68912 2.72224 2.66117 2.63457 2.60996 2.40566 2.65321 2.47266 2.63107 2.85686 2.07436 2.06170 2.88033 2.06440 2.07542 2.65795 2.64466 2.89237 2.06950 2.06813 2.63446 2.83921 2.62554 2.04637 2.62236 2.04283 2.56796 2.03165 2.06858 2.06854 2.06555 2.03436 2.62776 2.04557 2.03772 1.98530 2.20771 2.21794 1.85753 2.11917 1.84171 2.05348 2.02306 2.20651 1.88388 1.93714 1.94999 1.90500 1.90391 1.88345 1.98119 1.82826 1.90224 1.92528 1.93344 1.88872 2.11114 2.09900 2.07042 1.93913 1.89611 1.91807 1.92416 1.91354 1.87156 2.10711 2.09029 2.08548 2.11178 2.07550 2.09591 2.07942 2.10123 2.10253 1.84342 2.12807 2.31169 1.93950 1.93955 1.93705 1.88162 1.88108 1.88256 1.95014 2.14103 2.19200 1.85641 1.85184 1.95865 1.85494 1.96750 1.96578 2.08049 2.09750 2.10519 2.07980 2.08627 2.11711 1.93197 2.12154 2.22967 -2.88342 -0.79654 1.30656 -1.24286 2.93898 0.92095 0.06120 -3.09709 -3.08215 0.04275 -3.14120 -0.00058 0.00185 -3.14071 3.14052 -0.00712 -0.00255 3.13299 -3.07416 0.08610 -1.88738 1.33299 0.00210 -3.13323 -0.00087 3.14089 1.15153 -0.95557 -3.00964 -2.00844 2.16764 0.11357 -3.05358 -0.93401 1.10869 -1.00802 1.11155 -3.12894 1.08284 -3.08077 -1.03808 -3.07340 0.09478 -0.00932 -3.12432 3.07116 -0.07292 0.00652 -3.13756 -1.04902 1.04632 3.14120 3.13110 -1.05675 1.03813 1.07455 -3.11330 -1.01842 0.00882 -3.12825 3.12389 -0.01317 0.98701 3.08271 -1.10153 -2.12833 -0.03263 2.06632 -0.00327 3.13451 3.14084 -0.00456 3.13901 -0.00547 -0.00712 3.13159 -0.00066 3.14075 -3.14114 0.00028 3.14141 0.00271 0.00364 -3.13505 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 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 0.00001 -0.00004 -0.00003 0.00003 -0.00001 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00002 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00003 -0.00000 -0.00000 0.00000 0.00002 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 0.00003 -0.00001 -0.00002 -0.00003 -0.00000 -0.00002 0.00002 0.00002 0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 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 0.00002 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00004 -0.00001 -0.00003 0.00003 0.00002 0.00002 0.00023 0.00027 0.00001 0.00005 -0.00016 -0.00015 0.00003 0.00003 0.00013 0.00020 -0.00005 0.00002 0.00011 0.00007 -0.00021 -0.00018 0.00005 -0.00002 -0.00004 -0.00003 0.00003 0.00002 0.00004 0.00007 0.00006 0.00008 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00003 0.00003 0.00003 0.00004 0.00009 0.00001 0.00006 -0.00004 -0.00003 -0.00001 -0.00001 0.00005 0.00005 0.00006 0.00005 0.00005 0.00006 0.00006 0.00006 0.00006 -0.00000 0.00001 -0.00005 -0.00004 -0.00004 -0.00001 -0.00003 0.00001 0.00004 0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00002 -0.00001 -0.00003 -0.00002 0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00002 0.00002 0.00002 -0.00003 0.00001 0.00002 -0.00000 0.00000 -0.00003 0.00001 -0.00001 0.00000 -0.00001 -0.00002 0.00002 -0.00001 0.00001 0.00000 -0.00000 0.00003 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00002 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00004 0.00000 -0.00000 0.00000 -0.00003 -0.00001 -0.00001 0.00002 -0.00001 -0.00000 0.00001 0.00001 0.00000 -0.00002 0.00000 0.00005 -0.00002 0.00004 -0.00004 -0.00001 -0.00002 0.00002 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00001 -0.00023 -0.00022 -0.00020 -0.00013 -0.00010 -0.00008 0.00008 -0.00009 0.00003 -0.00014 -0.00013 -0.00013 -0.00009 -0.00008 0.00024 0.00004 0.00020 -0.00001 -0.00011 0.00008 0.00002 -0.00001 -0.00022 -0.00001 0.00016 0.00009 0.00020 0.00018 0.00019 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00002 -0.00002 -0.00001 -0.00008 -0.00008 -0.00007 -0.00002 -0.00004 0.00000 -0.00002 0.00003 0.00002 -0.00000 -0.00000 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 -0.00002 -0.00001 -0.00002 0.00001 -0.00000 -0.00003 -0.00004 -0.00003 -0.00005 -0.00006 -0.00005 0.00001 0.00001 0.00001 0.00001 0.00004 0.00001 0.00005 0.00002 -0.00004 0.00003 -0.00005 0.00002 -0.00004 -0.00001 -0.00004 -0.00001 -0.00002 -0.00002 -0.00001 0.00003 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00002 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00002 -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 0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00002 0.00003 -0.00003 -0.00002 0.00002 -0.00002 0.00002 -0.00002 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00001 0.00000 -0.00001 -0.00026 -0.00023 -0.00023 -0.00010 -0.00008 -0.00006 0.00031 0.00018 0.00004 -0.00009 -0.00029 -0.00028 -0.00006 -0.00005 0.00037 0.00024 0.00014 0.00001 -0.00000 0.00014 -0.00018 -0.00019 -0.00016 -0.00002 0.00012 0.00006 0.00023 0.00020 0.00022 0.00008 0.00006 0.00008 -0.00000 -0.00000 -0.00000 -0.00003 -0.00003 -0.00003 -0.00005 -0.00005 -0.00005 0.00001 0.00004 0.00002 0.00005 -0.00001 -0.00001 -0.00001 -0.00001 0.00004 0.00003 0.00004 0.00004 0.00003 0.00004 0.00005 0.00004 0.00005 -0.00001 -0.00001 -0.00004 -0.00004 -0.00007 -0.00005 -0.00006 -0.00004 -0.00002 -0.00003 0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00000 0.00002 0.00000 -0.00004 0.00003 -0.00005 0.00002 -0.00002 0.00001 -0.00002 0.00000 3.33191 2.57206 2.55412 2.56778 2.68911 2.72223 2.66117 2.63457 2.60997 2.40565 2.65319 2.47267 2.63108 2.85687 2.07436 2.06171 2.88034 2.06440 2.07543 2.65794 2.64467 2.89237 2.06950 2.06813 2.63446 2.83923 2.62553 2.04637 2.62237 2.04283 2.56797 2.03165 2.06858 2.06854 2.06555 2.03436 2.62777 2.04558 2.03772 1.98532 2.20772 2.21793 1.85754 2.11916 1.84170 2.05347 2.02307 2.20650 1.88387 1.93715 1.95000 1.90502 1.90387 1.88343 1.98121 1.82823 1.90226 1.92526 1.93344 1.88871 2.11115 2.09901 2.07041 1.93914 1.89610 1.91808 1.92415 1.91353 1.87156 2.10712 2.09028 2.08548 2.11178 2.07549 2.09591 2.07943 2.10122 2.10253 1.84342 2.12807 2.31170 1.93949 1.93955 1.93705 1.88162 1.88108 1.88256 1.95014 2.14103 2.19201 1.85642 1.85184 1.95865 1.85494 1.96751 1.96575 2.08050 2.09750 2.10518 2.07981 2.08628 2.11710 1.93198 2.12154 2.22967 -2.88369 -0.79677 1.30633 -1.24297 2.93890 0.92089 0.06152 -3.09690 -3.08211 0.04265 -3.14149 -0.00086 0.00180 -3.14076 3.14089 -0.00689 -0.00241 3.13300 -3.07416 0.08625 -1.88756 1.33280 0.00194 -3.13325 -0.00074 3.14096 1.15176 -0.95537 -3.00941 -2.00836 2.16770 0.11365 -3.05358 -0.93401 1.10869 -1.00804 1.11152 -3.12897 1.08280 -3.08082 -1.03813 -3.07339 0.09482 -0.00930 -3.12428 3.07115 -0.07293 0.00651 -3.13757 -1.04898 1.04635 3.14124 3.13114 -1.05672 1.03817 1.07460 -3.11326 -1.01837 0.00881 -3.12826 3.12385 -0.01321 0.98694 3.08266 -1.10159 -2.12836 -0.03265 2.06629 -0.00327 3.13452 3.14084 -0.00456 3.13903 -0.00547 -0.00709 3.13159 -0.00070 3.14078 -3.14118 0.00030 3.14139 0.00272 0.00362 -3.13505 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.001037 0.000318 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -6.200309e-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 1.7632 1.3611 1.3516 1.3588 1.423 1.4405 1.4082 1.3942 1.3811 1.273 1.404 1.3085 1.3923 1.5118 1.0977 1.091 1.5242 1.0924 1.0983 1.4065 1.3995 1.5306 1.0951 1.0944 1.3941 1.5024 1.3894 1.0829 1.3877 1.081 1.3589 1.0751 1.0946 1.0946 1.093 1.0765 1.3906 1.0825 1.0783 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 38 113.7494 126.4927 127.0783 106.4289 121.4196 105.5222 117.6557 115.9129 126.4235 107.9383 110.9901 111.7261 109.1482 109.0858 107.9136 113.5137 104.7513 108.9905 110.3104 110.7777 108.2157 120.9597 120.264 118.6263 111.1039 108.6388 109.8974 110.2461 109.6377 107.2327 120.7286 119.7648 119.4892 120.9958 118.9173 120.0867 119.142 120.3914 120.4661 105.6204 121.9292 132.4503 111.1249 111.1281 110.9845 107.8089 107.7777 107.8629 111.7345 122.672 125.5925 106.3646 106.1026 112.2224 106.2804 112.7294 112.6306 119.2034 120.1779 120.6183 119.1635 119.5346 121.3016 110.6938 121.5553 127.7509 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -165.208 -45.6384 74.8602 -71.2109 168.3912 52.7668 3.5068 -177.4499 -176.594 2.4493 -179.9776 -0.0331 0.1062 -179.9492 179.9384 -0.4082 -0.1461 179.5073 -176.1362 4.9332 -108.1388 76.3747 0.1205 -179.5207 -0.0496 179.96 65.9779 -54.7504 -172.4396 -115.0753 124.1965 6.5073 -174.957 -53.5147 63.5232 -57.7551 63.6872 -179.2749 62.0423 -176.5154 -59.4774 -176.0929 5.4304 -0.534 -179.0106 175.9646 -4.1782 0.3738 -179.769 -60.1042 59.9495 179.9774 179.3989 -60.5474 59.4805 61.5672 -178.379 -58.3511 0.5051 -179.2354 178.9859 -0.7546 56.5516 176.6262 -63.1131 -121.9441 -1.8694 118.3912 -0.1876 179.5943 179.9569 -0.2613 179.852 -0.3135 -0.4077 179.4268 -0.0377 179.952 -179.9739 0.0158 179.9894 0.1555 0.2085 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0398099411 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 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 6.057381 0.000000 5.157251 2.147697 0.000000 6.025703 2.151774 2.145102 0.000000 7.109790 5.089661 6.747339 6.053089 0.000000 8.038539 3.989160 5.850580 4.455194 2.948426 0.000000 5.895866 2.855526 4.156076 2.903945 3.290363 2.272820 0.000000 10.231940 5.801427 7.770918 6.292896 4.281731 2.207089 4.462729 0.000000 6.690439 3.232694 4.961412 3.874371 2.338656 1.393439 1.264985 3.550447 0.000000 6.596529 3.731770 5.487366 4.926493 1.405498 2.458627 2.477467 4.176564 1.505446 0.000000 7.658850 6.020150 7.675029 7.249220 1.418060 4.183564 4.612971 5.158473 3.642927 2.366037 0.000000 4.507580 2.918145 3.640574 2.986405 3.686408 3.578675 1.390295 5.784940 2.319635 2.893845 4.828609 0.000000 6.829495 6.268129 7.629050 7.567986 2.463952 5.294772 5.141732 6.558338 4.430073 3.051761 1.519009 4.936781 0.000000 3.982472 2.349855 2.353988 2.355828 4.868425 4.552300 2.416706 6.723759 3.366116 3.853157 5.881938 1.399594 5.812534 0.000000 3.983335 4.225059 4.755966 4.286900 3.557084 4.326628 2.421889 6.455635 3.056589 3.238098 4.550672 1.392422 4.417535 2.403574 0.000000 2.693092 3.438862 2.701473 3.411834 5.716465 5.856150 3.685523 8.046548 4.590805 4.823670 6.561838 2.419096 6.182130 1.386626 2.775081 0.000000 8.673713 4.415121 6.075401 4.315199 4.242604 1.381172 2.791977 2.245713 2.474248 3.783409 5.518557 4.179646 6.631502 5.022597 5.040878 6.375324 0.000000 7.919343 7.581862 8.946506 9.017296 3.783633 6.599541 6.639244 7.588356 5.856697 4.426172 2.500491 6.438960 1.521853 7.244236 5.889780 7.522001 7.956215 0.000000 9.134108 4.984364 6.992168 5.721371 3.058272 1.369504 3.572894 1.295624 2.476119 2.895702 3.971890 4.788250 5.316535 5.771686 5.396154 7.038824 2.203880 6.407073 0.000000 5.189686 1.341315 1.335690 1.337244 5.572562 4.559649 2.832322 6.545038 3.668528 4.347504 6.609928 2.500468 6.726861 1.497652 3.773695 2.500928 4.813619 8.120875 5.750361 0.000000 2.699516 4.917872 4.941454 4.947561 4.648953 5.680454 3.687259 7.821509 4.367557 4.348085 5.400049 2.414481 4.894130 2.777638 1.383293 2.408944 6.387060 6.229144 6.732416 4.275151 0.000000 1.730187 4.591238 4.085198 4.583724 5.615405 6.318211 4.166005 8.516926 4.983338 5.020353 6.344461 2.777399 5.766369 2.392784 2.389333 1.384271 6.946847 7.050050 7.442421 3.768677 1.384174 0.000000 9.979136 5.495511 7.267876 5.538093 4.859710 2.174787 4.085779 1.376334 3.531109 4.585790 5.972306 5.474417 7.262782 6.331085 6.268297 7.690406 1.352964 8.450474 2.128914 6.046478 7.636012 8.249702 0.000000 7.364790 3.781322 5.733940 5.296753 2.081337 2.670132 3.217975 3.980313 2.140023 1.097688 2.592375 3.745572 3.382322 4.481821 4.260028 5.482579 3.998244 4.523991 2.733993 4.685221 5.303692 5.829398 4.585672 0.000000 5.648603 3.450264 4.935532 4.753386 2.086270 3.357234 2.630320 5.221394 2.131505 1.093061 2.752240 2.495203 2.858359 3.247113 2.739913 4.006736 4.580671 4.272094 3.955961 3.931802 3.609464 4.150665 5.522551 1.756710 0.000000 8.381739 6.976386 8.633532 8.056882 2.008625 4.656185 5.286237 5.329892 4.317371 3.253322 1.091854 5.579811 2.150080 6.740525 5.168383 7.419911 5.900338 2.721272 4.286167 7.517000 6.025744 7.098808 6.209868 3.518249 3.743441 0.000000 8.326025 6.011801 7.819393 7.460986 2.069540 4.257621 5.006816 4.947092 3.902158 2.575126 1.098465 5.351134 2.157118 6.281683 5.306895 7.039617 5.611767 2.743421 3.802298 6.799187 6.185521 6.990275 5.915224 2.312196 3.057982 1.763111 0.000000 6.275174 6.528205 7.691362 7.571526 2.690249 5.540839 5.093246 6.958682 4.581583 3.415412 2.144748 4.729965 1.092838 5.675093 3.929576 5.918509 6.794922 2.156116 5.735781 6.777217 4.273042 5.292356 7.526580 4.023602 3.128875 2.497401 3.057117 0.000000 6.218670 5.527639 6.803354 6.978412 2.768867 5.252440 4.848051 6.705513 4.237401 2.820525 2.161215 4.500692 1.093182 5.162279 4.146327 5.467923 6.588841 2.146558 5.420054 6.013352 4.523321 5.173517 7.325276 3.064277 2.310415 3.061525 2.507768 1.756860 0.000000 4.835394 4.940298 5.725424 5.018257 3.009559 4.105381 2.653971 6.074728 2.995012 3.117110 4.027485 2.143247 4.055267 3.385245 1.081874 3.856938 4.865010 5.512869 5.037480 4.641396 2.135978 3.369380 5.979912 4.211111 2.895929 4.459337 4.905331 3.466041 4.057458 0.000000 2.823330 3.707449 2.361929 3.648493 6.683473 6.682566 4.565075 8.836440 5.467849 5.697120 7.477980 3.403574 7.043483 2.151806 3.855616 1.080652 7.135664 8.317382 7.861662 2.720036 3.382559 2.136384 8.440706 6.238880 4.854416 8.381373 7.878043 6.837264 6.241634 4.937459 0.000000 8.261976 4.209718 5.565867 3.612618 4.823524 2.158767 2.600261 3.301918 2.790780 4.263069 6.179497 3.892813 7.143484 4.599958 4.834455 5.929371 1.074801 8.549630 3.230895 4.339172 6.110232 6.563555 2.221274 4.619947 4.874095 6.609790 6.375504 7.195145 7.025175 4.791882 6.640094 0.000000 8.576626 7.615542 9.104981 9.229641 4.112277 6.695274 6.960543 7.496439 6.066131 4.584053 2.765642 6.874625 2.172281 7.605460 6.519918 7.967865 8.070554 1.091147 6.352943 8.313289 6.940758 7.655641 8.460903 4.415168 4.511349 3.080263 2.555106 3.071706 2.510748 6.211458 8.703144 8.740653 0.000000 8.617031 8.380794 9.794736 9.697276 4.071992 6.939354 7.145583 7.741100 6.324700 4.984114 2.763252 7.035958 2.172683 7.970435 6.390908 8.288650 8.255804 1.091304 6.640903 8.891227 6.783403 7.739163 8.653029 5.140200 4.989186 2.531122 3.107412 2.517844 3.065182 5.849593 9.144299 8.893306 1.761019 0.000000 7.632752 7.988793 9.149962 9.427801 4.614397 7.430470 7.204886 8.569130 6.554901 5.132236 3.456359 6.808465 2.167983 7.486905 6.161047 7.567955 8.781964 1.089525 7.354491 8.440186 6.260946 6.988110 9.368571 5.284671 4.771708 3.727030 3.745692 2.500560 2.483481 5.887539 8.296538 9.297919 1.758316 1.759615 0.000000 9.183873 5.310080 7.363703 6.347354 2.610575 2.158659 4.052825 2.105190 2.815086 2.638511 3.192683 5.080144 4.595665 6.074389 5.538940 7.246467 3.238490 5.537898 1.077055 6.166704 6.802500 7.553109 3.175728 2.276610 3.706129 3.504365 2.852610 5.151462 4.763418 5.138064 8.080332 4.222447 5.397713 5.759209 6.524322 0.000000 2.854377 5.967642 5.995712 6.001320 4.992904 6.394538 4.556816 8.455793 5.121500 4.962175 5.582912 3.390756 4.925410 3.858809 2.137896 3.390648 7.140259 6.132465 7.356517 5.356293 1.081179 2.148529 8.337858 5.949167 4.259341 6.072442 6.474120 4.119324 4.711034 2.455611 4.276073 6.911474 6.966686 6.581683 6.064207 7.351022 0.000000 10.844183 6.277023 7.941521 6.100633 5.911515 3.229112 4.975293 2.147769 4.552456 5.658758 7.014945 6.360737 8.325712 7.154965 7.178257 8.519193 2.184499 9.498123 3.151951 6.770240 8.535710 9.120729 1.077786 5.644808 6.579332 7.195370 6.946122 8.570876 8.402591 6.893842 9.229548 2.731345 9.498516 9.665369 10.428528 4.157938 9.241441 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2631630 0.1688271 0.1159983 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6.107821 0.000000 5.186767 2.171633 0.000000 6.087848 2.173662 2.168600 0.000000 7.259140 4.929004 6.671081 6.050791 0.000000 8.111548 4.016237 5.894892 4.484411 2.936448 0.000000 5.953721 2.924117 4.218783 2.948956 3.373369 2.295190 0.000000 10.324063 5.804786 7.802474 6.318417 4.247874 2.226668 4.505693 0.000000 6.747610 3.189588 4.942399 3.849299 2.373952 1.408233 1.273019 3.583341 0.000000 6.642279 3.517034 5.326965 4.806575 1.423021 2.475748 2.488261 4.207262 1.511784 0.000000 7.883687 5.775046 7.528378 7.197279 1.440548 4.162463 4.709577 5.075181 3.683681 2.398194 0.000000 4.551763 2.959086 3.673968 3.016028 3.794680 3.611329 1.404018 5.837995 2.335666 2.904473 4.970169 0.000000 7.106010 6.006023 7.464422 7.525395 2.479999 5.289980 5.257260 6.491989 4.476326 3.057923 1.524204 5.105155 0.000000 4.020307 2.378385 2.377680 2.382178 4.887004 4.580651 2.445685 6.760736 3.352855 3.769968 5.901533 1.406524 5.844975 0.000000 4.021773 4.270738 4.789147 4.322852 3.800392 4.373955 2.431139 6.535237 3.116403 3.368005 4.884748 1.399496 4.812195 2.413094 0.000000 2.723805 3.462198 2.711426 3.441706 5.761456 5.893744 3.719768 8.093604 4.594544 4.766971 6.623353 2.434271 6.262021 1.394096 2.789545 0.000000 8.762467 4.643814 6.299579 4.511814 4.223346 1.394155 2.829092 2.263253 2.502401 3.814297 5.491775 4.228080 6.635310 5.135493 5.032522 6.482344 0.000000 8.231782 7.284876 8.739772 8.946327 3.816316 6.599204 6.759975 7.509954 5.912789 4.457967 2.519095 6.614219 1.530576 7.274051 6.298710 7.603997 7.958233 0.000000 9.211506 4.889482 6.937522 5.675349 3.032069 1.381134 3.603508 1.308473 2.497180 2.913493 3.903654 4.827458 5.257672 5.764006 5.495228 7.047150 2.222694 6.346796 0.000000 5.221264 1.361089 1.351591 1.358797 5.507792 4.589708 2.878870 6.570155 3.634454 4.189130 6.494086 2.516710 6.605012 1.502443 3.792434 2.502592 5.008080 7.973396 5.697287 0.000000 2.731237 4.959722 4.968856 4.987448 4.868912 5.730282 3.706399 7.901736 4.421151 4.453147 5.732203 2.427265 5.308484 2.789200 1.389375 2.421656 6.396318 6.675230 6.824959 4.291480 0.000000 1.763178 4.619253 4.098677 4.616583 5.740214 6.359785 4.190775 8.578301 5.009255 5.038602 6.537529 2.788586 6.010513 2.398621 2.397768 1.387694 7.003206 7.318432 7.489907 3.773875 1.390553 0.000000 10.072923 5.665616 7.448552 5.689006 4.828022 2.193296 4.127598 1.392304 3.564414 4.621068 5.912596 5.527817 7.230718 6.426700 6.288030 7.786130 1.358907 8.409279 2.150739 6.198736 7.667253 8.311388 0.000000 7.358612 3.432920 5.440042 5.048995 2.085431 2.711088 3.197400 4.047854 2.139888 1.097705 2.577197 3.711944 3.315351 4.320831 4.364341 5.348701 4.066104 4.488943 2.775970 4.409780 5.382708 5.796959 4.665572 0.000000 5.664575 3.268757 4.779560 4.636529 2.089182 3.380317 2.626978 5.261479 2.134108 1.091007 2.803851 2.477024 2.889034 3.141749 2.832192 3.924314 4.621788 4.335274 3.980006 3.773469 3.679780 4.138288 5.568884 1.769739 0.000000 8.617648 6.755844 8.518181 8.044837 2.017422 4.624178 5.384635 5.228545 4.354092 3.280351 1.092432 5.724050 2.161604 6.777403 5.492477 7.497696 5.845350 2.748102 4.216771 7.430459 6.354972 7.299378 6.119621 3.522094 3.772039 0.000000 8.523274 5.674800 7.573365 7.285059 2.076304 4.186583 5.040289 4.805962 3.896535 2.599994 1.098266 5.436333 2.171878 6.234013 5.594868 7.044510 5.537036 2.791829 3.673963 6.588826 6.483170 7.144947 5.804834 2.295285 3.135695 1.774737 0.000000 6.561922 6.323512 7.594187 7.606614 2.681209 5.535235 5.218005 6.902854 4.621004 3.388610 2.142306 4.908110 1.095132 5.739159 4.326379 6.026683 6.796970 2.168427 5.686543 6.713054 4.697252 5.550036 7.497466 3.938971 3.090020 2.502346 3.063202 0.000000 6.486709 5.225557 6.587567 6.875659 2.774817 5.239041 4.939345 6.636079 4.265417 2.806484 2.157860 4.647600 1.094408 5.162867 4.525825 5.521900 6.598771 2.160158 5.346809 5.843716 4.930879 5.407565 7.299813 2.954756 2.352126 3.065386 2.503417 1.762718 0.000000 4.878573 4.981768 5.757612 5.049467 3.366115 4.149219 2.645178 6.162759 3.073088 3.329782 4.501348 2.144033 4.594307 3.392268 1.082892 3.872424 4.793830 6.067465 5.174336 4.657995 2.147441 3.382559 5.956188 4.414443 3.054305 4.921916 5.324150 4.009792 4.558465 0.000000 2.860362 3.710115 2.349457 3.664680 6.680021 6.708097 4.595555 8.863817 5.452199 5.595131 7.467196 3.414647 7.039176 2.153356 3.870532 1.081018 7.261672 8.303131 7.836620 2.706767 3.400033 2.148372 8.546495 6.040040 4.735134 8.393068 7.801440 6.874507 6.203848 4.953413 0.000000 8.345865 4.584571 5.930662 3.964482 4.801937 2.164469 2.629391 3.321267 2.808855 4.286068 6.163608 3.935018 7.165496 4.768584 4.761388 6.078195 1.075104 8.571450 3.247050 4.662349 6.067714 6.614295 2.230390 4.679722 4.908449 6.559701 6.316019 7.211546 7.060676 4.611985 6.835827 0.000000 8.878428 7.273783 8.841717 9.089775 4.150871 6.686305 7.063448 7.399276 6.116837 4.632113 2.781617 7.033216 2.179122 7.607408 6.916067 8.025691 8.064025 1.094644 6.276560 8.117789 7.372730 7.909238 8.407024 4.397581 4.613004 3.102040 2.605767 3.083042 2.521936 6.750531 8.655872 8.757247 0.000000 8.929694 8.107917 9.621491 9.664220 4.100266 6.935894 7.271424 7.657536 6.382068 5.017110 2.780434 7.214821 2.179145 8.015341 6.791191 8.383343 8.242617 1.094622 6.585372 8.772191 7.218767 8.007077 8.596560 5.123379 5.036580 2.558852 3.160671 2.524968 3.076778 6.397520 9.150322 8.893819 1.769006 0.000000 7.964463 7.685197 8.929155 9.355905 4.641077 7.432266 7.324676 8.497269 6.606373 5.148300 3.474312 6.982867 2.176153 7.514694 6.573139 7.649508 8.793194 1.093041 7.295848 8.285689 6.725967 7.269795 9.337297 5.227174 4.815701 3.756035 3.791297 2.515301 2.498655 6.438861 8.277737 9.331849 1.767377 1.768316 0.000000 9.240276 5.067880 7.178310 6.203205 2.589690 2.161423 4.066244 2.123845 2.819709 2.639320 3.113426 5.099840 4.507724 6.001544 5.669520 7.196014 3.253675 5.454823 1.076539 6.001176 6.917930 7.581200 3.199985 2.285507 3.709549 3.451114 2.706058 5.078552 4.645477 5.352993 7.973752 4.232518 5.296413 5.697115 6.436729 0.000000 2.874881 6.011270 6.021952 6.043684 5.274631 6.452556 4.576697 8.551721 5.192652 5.118015 6.022289 3.406591 5.479487 3.871666 2.148056 3.401978 7.124922 6.743461 7.480551 5.373909 1.082471 2.153755 8.353606 6.095177 4.375502 6.512220 6.887095 4.692015 5.250695 2.476387 4.293207 6.818679 7.559508 7.180542 6.710566 7.525953 0.000000 10.941592 6.514152 8.193339 6.313725 5.871924 3.248494 5.019582 2.161628 4.586950 5.694843 6.943906 6.417234 8.285751 7.278471 7.176666 8.639470 2.191718 9.444087 3.173630 6.980719 8.548889 9.185634 1.078314 5.730676 6.628318 7.085786 6.826139 8.533579 8.375652 6.829087 9.374057 2.745367 9.431614 9.589960 10.386988 4.184049 9.225196 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2641173 0.1598701 0.1166633 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 2108.6683403825 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 -0.0393067647 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2112.8925275211 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 -0.0395913202 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2113.6259858514 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 -0.0395253744 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2113.1796928342 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 -0.0395154728 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2112.7130771294 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 -0.0394948165 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2112.2866785340 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 -0.0394738850 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2112.3115293840 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 -0.0394733025 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2112.2137679710 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 -0.0394753054 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2112.0102151895 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 -0.0394704147 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2111.8348446227 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 -0.0394673831 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2111.4403735337 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 -0.0394567004 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2111.1597622731 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 -0.0394489192 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2111.1254501753 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 -0.0394476719 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2111.0976940041 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 -0.0394465157 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 604 RedAO= T EigKep= 1.54D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 8.80D-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= 623 623 623 623 623 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1579.69530908843 -1579.89345021235 -0.198141123917 -1580.16847021521 -0.275020002855 -1580.19089124705 -0.022421031849 -1580.20159660501 -0.010705357954 -1580.20203356550 -0.000436960494 -1580.20208795187 -0.000054386368 -1580.20209428615 -0.000006334283 -1580.20209456472 -0.000000278565 -1580.20209462740 -0.000000062680 -1580.20209463209 -0.000000004693 -1580.20209463271 -0.000000000620 -1580.20209463254 0.000000000166 -1580.20209463269 -0.000000000150 -1580.20209463275 -0.000000000056 -1580.20209463 15 1.575515255100e+03 -7.972429334890e+03 2.688550172020e+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. -6.39578851e-01 2.24461212e+00 4.48837908e-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 -0.013271356 0.006873055 0.001555089 0.012695668 -0.001731418 0.010614523 -0.012301494 -0.006124204 0.008197309 0.003527373 -0.012784094 -0.011367869 0.002801335 0.001274400 -0.008982035 -0.001436143 0.000827608 0.000598231 -0.003403154 -0.006263268 -0.005774267 0.016326547 -0.003498038 0.000180562 0.000871304 0.004799652 0.005080530 -0.007030346 -0.007395327 0.007460237 0.005691463 0.008233931 0.005631661 -0.000840995 0.000780816 -0.000086002 -0.002872126 0.000565084 0.000660859 -0.001389175 0.000733400 -0.000686119 0.001916317 0.003541862 -0.003428548 -0.004452559 -0.002117268 0.002732421 -0.005046281 -0.007046690 -0.006321873 0.000488833 0.003005198 0.001755236 0.001529187 0.012989405 0.010753174 -0.004311601 0.014094723 -0.003609670 0.000649804 0.004687045 -0.002471572 0.006357502 -0.003644369 -0.000513657 0.002271276 -0.010755880 -0.007876969 0.001622261 0.000462408 -0.000506007 0.000186286 0.000528321 -0.001462586 0.000156591 0.000232709 -0.001335461 0.000045972 -0.001802616 0.000119659 -0.000402177 -0.000183672 -0.001854751 -0.000197981 -0.001428030 0.000129100 0.001233675 -0.000443635 0.000060060 0.000418276 -0.001288282 0.000548195 -0.000412033 0.000491225 0.000192605 0.001225971 -0.001177736 0.001807954 0.001453368 0.001070716 -0.001574780 -0.001963300 0.001404117 0.000727780 -0.001625156 0.000610836 -0.000285310 -0.000637331 0.001006362 -0.000276013 0.000124200 -0.000528348 -0.000391699 0.016326547 0.005033288 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1580.20613055507 -1580.20613345695 -0.000002901883 -1580.20613345897 -0.000000002024 -1580.20613349391 -0.000000034933 -1580.20613349401 -0.000000000107 -1580.20613349439 -0.000000000374 -1580.20613349447 -0.000000000078 -1580.20613349456 -0.000000000096 -1580.20613349 8 1.574842552025e+03 -7.937742252552e+03 2.671624928672e+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) PT110794.900S Mon Dec 13 13:25:10 2021 -6.35392339e-01 2.20908148e+00 2.19736168e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1580.2061335 5.382E-9 6.326E-6 -15.9066198,6.1337398,9.77288,7.6830512,5.8425913,4.0157489 C01 [X(C15H15Cl1F3N3O1)] -0.4830413 2.1653836 0.6401822 0.000007770 0.000000097 -0.000002646 -0.000001061 -0.000003830 -0.000006544 -0.000004242 -0.000004442 -0.000006118 0.000000623 -0.000001673 -0.000014406 0.000006173 0.000004819 0.000012719 -0.000001710 -0.000009687 -0.000001083 -0.000001454 0.000002842 0.000003262 0.000009663 0.000001245 -0.000013127 -0.000005607 0.000013346 -0.000016401 0.000001932 0.000001680 0.000000267 -0.000008433 -0.000015712 -0.000005227 0.000013337 -0.000001876 -0.000006352 -0.000000624 0.000003480 0.000012188 -0.000008378 0.000006840 -0.000007247 0.000000815 0.000003391 -0.000000255 0.000009189 -0.000007029 -0.000003576 -0.000001504 0.000007373 -0.000006981 -0.000002996 -0.000006600 0.000010175 -0.000006606 0.000000685 0.000011904 -0.000001061 0.000002765 -0.000006244 0.000004317 0.000000464 0.000000971 -0.000013552 0.000014232 -0.000006537 0.000003896 0.000002442 0.000000707 -0.000000592 -0.000004570 0.000001036 -0.000000686 -0.000002847 0.000001200 0.000000352 -0.000000775 0.000008428 0.000001507 -0.000002199 0.000009090 0.000000378 -0.000000519 0.000007583 -0.000000318 -0.000003317 0.000005039 0.000002355 0.000005359 0.000000696 -0.000002037 -0.000000594 -0.000008402 0.000000135 0.000003814 -0.000004745 -0.000001469 -0.000007876 0.000010450 0.000000044 -0.000003841 0.000012183 -0.000001281 -0.000004787 0.000011735 -0.000001294 -0.000002658 0.000002126 0.000002064 0.000005880 -0.000000304 0.000000353 0.000004079 -0.000005565 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-DEPAZ13 PAULAPLA Optimization triflumizole_E CONF172 water 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 CONF172 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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/water/CONF172/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 1.7632 1.3611 1.3516 1.3588 1.423 1.4405 1.4082 1.3942 1.3811 1.273 1.404 1.3085 1.3923 1.5118 1.0977 1.091 1.5242 1.0924 1.0983 1.4065 1.3995 1.5306 1.0951 1.0944 1.3941 1.5024 1.3894 1.0829 1.3877 1.081 1.3589 1.0751 1.0946 1.0946 1.093 1.0765 1.3906 1.0825 1.0783 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 38 113.7494 126.4927 127.0783 106.4289 121.4196 105.5222 117.6557 115.9129 126.4235 107.9383 110.9901 111.7261 109.1482 109.0858 107.9136 113.5137 104.7513 108.9905 110.3104 110.7777 108.2157 120.9597 120.264 118.6263 111.1039 108.6388 109.8974 110.2461 109.6377 107.2327 120.7286 119.7648 119.4892 120.9958 118.9173 120.0867 119.142 120.3914 120.4661 105.6204 121.9292 132.4503 111.1249 111.1281 110.9845 107.8089 107.7777 107.8629 111.7345 122.672 125.5925 106.3646 106.1026 112.2224 106.2804 112.7294 112.6306 119.2034 120.1779 120.6183 119.1635 119.5346 121.3016 110.6938 121.5553 127.7509 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 -165.208 -45.6384 74.8602 -71.2109 168.3912 52.7668 3.5068 -177.4499 -176.594 2.4493 -179.9776 -0.0331 0.1062 -179.9492 179.9384 -0.4082 -0.1461 179.5073 -176.1362 4.9332 -108.1388 76.3747 0.1205 -179.5207 -0.0496 179.96 65.9779 -54.7504 -172.4396 -115.0753 124.1965 6.5073 -174.957 -53.5147 63.5232 -57.7551 63.6872 -179.2749 62.0423 -176.5154 -59.4774 -176.0929 5.4304 -0.534 -179.0106 175.9646 -4.1782 0.3738 -179.769 -60.1042 59.9495 179.9774 179.3989 -60.5474 59.4805 61.5672 -178.379 -58.3511 0.5051 -179.2354 178.9859 -0.7546 56.5516 176.6262 -63.1131 -121.9441 -1.8694 118.3912 -0.1876 179.5943 179.9569 -0.2613 179.852 -0.3135 -0.4077 179.4268 -0.0377 179.952 -179.9739 0.0158 179.9894 0.1555 0.2085 -179.6254 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00108 0.00212 0.00248 0.00296 0.00360 0.00552 0.00643 0.00771 0.01011 0.01192 0.01479 0.01648 0.01791 0.01980 0.02064 0.02290 0.02558 0.02647 0.02696 0.02776 0.03012 0.03215 0.03590 0.03837 0.04485 0.04509 0.04751 0.05031 0.05361 0.05875 0.05932 0.06062 0.06856 0.07471 0.09860 0.09902 0.10320 0.10692 0.10740 0.11149 0.11213 0.11945 0.11996 0.12045 0.12099 0.12451 0.13689 0.13913 0.14168 0.15487 0.15855 0.17058 0.17878 0.18139 0.18921 0.19453 0.19655 0.20432 0.21419 0.22263 0.23149 0.23604 0.23733 0.23783 0.23805 0.24538 0.24674 0.25175 0.27096 0.27815 0.28957 0.29691 0.31161 0.31348 0.31657 0.32114 0.32368 0.32579 0.32913 0.33070 0.33210 0.33477 0.33960 0.34207 0.34573 0.35430 0.36012 0.36204 0.36461 0.37090 0.37329 0.37838 0.38615 0.38920 0.39227 0.40625 0.41611 0.42033 0.44290 0.45393 0.46469 0.46718 0.47868 0.48408 0.50347 0.51172 0.57886 0.86380 Angle between quadratic step and forces= 76.53 degrees. 1 2 3 0.00214860 0.00000183 0.00000000 0.00000088 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 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 3.33192 2.57208 2.55414 2.56775 2.68912 2.72224 2.66117 2.63457 2.60996 2.40566 2.65321 2.47266 2.63107 2.85686 2.07436 2.06170 2.88033 2.06440 2.07542 2.65795 2.64466 2.89237 2.06950 2.06813 2.63446 2.83921 2.62554 2.04637 2.62236 2.04283 2.56796 2.03165 2.06858 2.06854 2.06555 2.03436 2.62776 2.04557 2.03772 1.98530 2.20771 2.21794 1.85753 2.11917 1.84171 2.05348 2.02306 2.20651 1.88388 1.93714 1.94999 1.90500 1.90391 1.88345 1.98119 1.82826 1.90224 1.92528 1.93344 1.88872 2.11114 2.09900 2.07042 1.93913 1.89611 1.91807 1.92416 1.91354 1.87156 2.10711 2.09029 2.08548 2.11178 2.07550 2.09591 2.07942 2.10123 2.10253 1.84342 2.12807 2.31169 1.93950 1.93955 1.93705 1.88162 1.88108 1.88256 1.95014 2.14103 2.19200 1.85641 1.85184 1.95865 1.85494 1.96750 1.96578 2.08049 2.09750 2.10519 2.07980 2.08627 2.11711 1.93197 2.12154 2.22967 -2.88342 -0.79654 1.30656 -1.24286 2.93898 0.92095 0.06120 -3.09709 -3.08215 0.04275 -3.14120 -0.00058 0.00185 -3.14071 3.14052 -0.00712 -0.00255 3.13299 -3.07416 0.08610 -1.88738 1.33299 0.00210 -3.13323 -0.00087 3.14089 1.15153 -0.95557 -3.00964 -2.00844 2.16764 0.11357 -3.05358 -0.93401 1.10869 -1.00802 1.11155 -3.12894 1.08284 -3.08077 -1.03808 -3.07340 0.09478 -0.00932 -3.12432 3.07116 -0.07292 0.00652 -3.13756 -1.04902 1.04632 3.14120 3.13110 -1.05675 1.03813 1.07455 -3.11330 -1.01842 0.00882 -3.12825 3.12389 -0.01317 0.98701 3.08271 -1.10153 -2.12833 -0.03263 2.06632 -0.00327 3.13451 3.14084 -0.00456 3.13901 -0.00547 -0.00712 3.13159 -0.00066 3.14075 -3.14114 0.00028 3.14141 0.00271 0.00364 -3.13505 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 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 -0.00005 -0.00001 0.00001 0.00002 -0.00002 -0.00004 -0.00001 -0.00001 -0.00000 -0.00000 -0.00003 0.00002 -0.00001 -0.00001 0.00001 -0.00000 0.00004 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00002 0.00001 -0.00000 0.00000 0.00003 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00002 -0.00001 -0.00000 0.00003 -0.00002 -0.00002 -0.00001 0.00005 0.00007 -0.00007 -0.00002 0.00003 -0.00000 0.00006 -0.00006 0.00001 -0.00003 0.00001 0.00001 -0.00002 -0.00001 -0.00002 0.00005 0.00000 -0.00002 -0.00001 0.00002 -0.00003 0.00002 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00002 -0.00001 0.00000 0.00000 -0.00000 0.00003 -0.00003 0.00002 -0.00001 -0.00000 0.00002 0.00001 -0.00003 0.00001 0.00001 -0.00002 -0.00219 -0.00213 -0.00212 -0.00069 -0.00063 -0.00061 0.00067 0.00059 0.00013 0.00005 -0.00044 -0.00046 0.00000 -0.00002 0.00048 0.00045 0.00003 0.00000 0.00020 0.00029 -0.00051 -0.00049 -0.00005 -0.00002 0.00005 0.00001 0.00020 0.00018 0.00021 0.00011 0.00009 0.00012 0.00001 -0.00001 0.00000 -0.00002 -0.00003 -0.00002 -0.00010 -0.00011 -0.00010 0.00007 0.00002 0.00005 -0.00000 -0.00006 -0.00003 -0.00004 -0.00001 0.00000 -0.00001 0.00000 0.00003 0.00002 0.00003 0.00005 0.00004 0.00005 -0.00003 -0.00004 0.00002 0.00001 -0.00025 -0.00023 -0.00024 -0.00030 -0.00029 -0.00029 0.00001 0.00003 -0.00002 0.00000 0.00003 -0.00000 0.00004 0.00001 -0.00003 0.00001 -0.00001 0.00003 -0.00002 0.00001 -0.00004 -0.00001 -0.00005 -0.00001 0.00001 0.00002 -0.00002 -0.00004 -0.00001 -0.00001 -0.00000 -0.00000 -0.00003 0.00002 -0.00001 -0.00001 0.00001 -0.00000 0.00004 0.00000 0.00001 0.00001 0.00000 -0.00001 0.00000 -0.00001 -0.00002 0.00001 -0.00000 0.00000 0.00003 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00002 -0.00001 -0.00000 0.00003 -0.00002 -0.00002 -0.00001 0.00005 0.00007 -0.00007 -0.00002 0.00003 -0.00000 0.00006 -0.00006 0.00001 -0.00003 0.00001 0.00001 -0.00002 -0.00001 -0.00002 0.00005 0.00000 -0.00002 -0.00001 0.00002 -0.00003 0.00002 0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00002 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 0.00002 -0.00001 0.00000 0.00000 -0.00000 0.00003 -0.00003 0.00002 -0.00001 -0.00000 0.00002 0.00001 -0.00003 0.00001 0.00001 -0.00002 -0.00219 -0.00213 -0.00212 -0.00069 -0.00063 -0.00061 0.00067 0.00059 0.00013 0.00005 -0.00044 -0.00046 0.00000 -0.00002 0.00048 0.00045 0.00003 0.00000 0.00020 0.00029 -0.00051 -0.00049 -0.00005 -0.00002 0.00005 0.00001 0.00020 0.00018 0.00021 0.00011 0.00009 0.00012 0.00001 -0.00001 0.00000 -0.00002 -0.00003 -0.00002 -0.00010 -0.00011 -0.00010 0.00007 0.00002 0.00005 -0.00000 -0.00006 -0.00003 -0.00004 -0.00001 0.00000 -0.00001 0.00000 0.00003 0.00002 0.00003 0.00005 0.00004 0.00005 -0.00003 -0.00004 0.00002 0.00001 -0.00025 -0.00023 -0.00024 -0.00030 -0.00029 -0.00029 0.00001 0.00003 -0.00002 0.00000 0.00003 -0.00000 0.00004 0.00001 -0.00003 0.00001 -0.00001 0.00003 -0.00002 0.00001 -0.00004 -0.00001 3.33188 2.57207 2.55415 2.56778 2.68910 2.72220 2.66117 2.63456 2.60996 2.40565 2.65318 2.47267 2.63107 2.85685 2.07437 2.06170 2.88037 2.06440 2.07543 2.65796 2.64466 2.89236 2.06950 2.06812 2.63444 2.83921 2.62554 2.04637 2.62239 2.04283 2.56797 2.03165 2.06858 2.06854 2.06555 2.03436 2.62776 2.04558 2.03772 1.98530 2.20773 2.21791 1.85754 2.11915 1.84170 2.05348 2.02309 2.20648 1.88386 1.93713 1.95004 1.90507 1.90383 1.88343 1.98122 1.82826 1.90230 1.92522 1.93344 1.88869 2.11116 2.09901 2.07039 1.93912 1.89609 1.91812 1.92416 1.91352 1.87156 2.10713 2.09026 2.08550 2.11179 2.07549 2.09590 2.07943 2.10123 2.10252 1.84342 2.12806 2.31171 1.93949 1.93955 1.93706 1.88162 1.88107 1.88256 1.95013 2.14101 2.19202 1.85641 1.85184 1.95865 1.85494 1.96752 1.96575 2.08051 2.09749 2.10518 2.07982 2.08628 2.11708 1.93198 2.12155 2.22966 -2.88562 -0.79867 1.30443 -1.24355 2.93836 0.92034 0.06187 -3.09650 -3.08201 0.04280 3.14154 -0.00104 0.00185 -3.14072 3.14099 -0.00668 -0.00252 3.13300 -3.07396 0.08639 -1.88789 1.33250 0.00206 -3.13324 -0.00082 3.14090 1.15173 -0.95539 -3.00943 -2.00833 2.16773 0.11369 -3.05357 -0.93402 1.10869 -1.00803 1.11152 -3.12896 1.08275 -3.08089 -1.03818 -3.07333 0.09480 -0.00927 -3.12432 3.07110 -0.07295 0.00648 -3.13757 -1.04901 1.04631 3.14120 3.13113 -1.05673 1.03816 1.07460 -3.11326 -1.01837 0.00879 -3.12829 3.12391 -0.01316 0.98676 3.08247 -1.10177 -2.12862 -0.03291 2.06603 -0.00326 3.13454 3.14082 -0.00456 3.13904 -0.00547 -0.00707 3.13160 -0.00069 3.14076 -3.14115 0.00030 3.14139 0.00272 0.00360 -3.13506 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.008843 0.002149 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.570241e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2111.0976940041 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 -0.0394465157 PCM SMD-Coulomb. Total charges None Matrix inversion Water 78.355300 1.777849 0.000000 6.107821 0.000000 5.186767 2.171633 0.000000 6.087848 2.173662 2.168600 0.000000 7.259140 4.929004 6.671081 6.050791 0.000000 8.111548 4.016237 5.894892 4.484411 2.936448 0.000000 5.953721 2.924117 4.218783 2.948956 3.373369 2.295190 0.000000 10.324063 5.804786 7.802474 6.318417 4.247874 2.226668 4.505693 0.000000 6.747610 3.189588 4.942399 3.849299 2.373952 1.408233 1.273019 3.583341 0.000000 6.642279 3.517034 5.326965 4.806575 1.423021 2.475748 2.488261 4.207262 1.511784 0.000000 7.883687 5.775046 7.528378 7.197279 1.440548 4.162463 4.709577 5.075181 3.683681 2.398194 0.000000 4.551763 2.959086 3.673968 3.016028 3.794680 3.611329 1.404018 5.837995 2.335666 2.904473 4.970169 0.000000 7.106010 6.006023 7.464422 7.525395 2.479999 5.289980 5.257260 6.491989 4.476326 3.057923 1.524204 5.105155 0.000000 4.020307 2.378385 2.377680 2.382178 4.887004 4.580651 2.445685 6.760736 3.352855 3.769968 5.901533 1.406524 5.844975 0.000000 4.021773 4.270738 4.789147 4.322852 3.800392 4.373955 2.431139 6.535237 3.116403 3.368005 4.884748 1.399496 4.812195 2.413094 0.000000 2.723805 3.462198 2.711426 3.441706 5.761456 5.893744 3.719768 8.093604 4.594544 4.766971 6.623353 2.434271 6.262021 1.394096 2.789545 0.000000 8.762467 4.643814 6.299579 4.511814 4.223346 1.394155 2.829092 2.263253 2.502401 3.814297 5.491775 4.228080 6.635310 5.135493 5.032522 6.482344 0.000000 8.231782 7.284876 8.739772 8.946327 3.816316 6.599204 6.759975 7.509954 5.912789 4.457967 2.519095 6.614219 1.530576 7.274051 6.298710 7.603997 7.958233 0.000000 9.211506 4.889482 6.937522 5.675349 3.032069 1.381134 3.603508 1.308473 2.497180 2.913493 3.903654 4.827458 5.257672 5.764006 5.495228 7.047150 2.222694 6.346796 0.000000 5.221264 1.361089 1.351591 1.358797 5.507792 4.589708 2.878870 6.570155 3.634454 4.189130 6.494086 2.516710 6.605012 1.502443 3.792434 2.502592 5.008080 7.973396 5.697287 0.000000 2.731237 4.959722 4.968856 4.987448 4.868912 5.730282 3.706399 7.901736 4.421151 4.453147 5.732203 2.427265 5.308484 2.789200 1.389375 2.421656 6.396318 6.675230 6.824959 4.291480 0.000000 1.763178 4.619253 4.098677 4.616583 5.740214 6.359785 4.190775 8.578301 5.009255 5.038602 6.537529 2.788586 6.010513 2.398621 2.397768 1.387694 7.003206 7.318432 7.489907 3.773875 1.390553 0.000000 10.072923 5.665616 7.448552 5.689006 4.828022 2.193296 4.127598 1.392304 3.564414 4.621068 5.912596 5.527817 7.230718 6.426700 6.288030 7.786130 1.358907 8.409279 2.150739 6.198736 7.667253 8.311388 0.000000 7.358612 3.432920 5.440042 5.048995 2.085431 2.711088 3.197400 4.047854 2.139888 1.097705 2.577197 3.711944 3.315351 4.320831 4.364341 5.348701 4.066104 4.488943 2.775970 4.409780 5.382708 5.796959 4.665572 0.000000 5.664575 3.268757 4.779560 4.636529 2.089182 3.380317 2.626978 5.261479 2.134108 1.091007 2.803851 2.477024 2.889034 3.141749 2.832192 3.924314 4.621788 4.335274 3.980006 3.773469 3.679780 4.138288 5.568884 1.769739 0.000000 8.617648 6.755844 8.518181 8.044837 2.017422 4.624178 5.384635 5.228545 4.354092 3.280351 1.092432 5.724050 2.161604 6.777403 5.492477 7.497696 5.845350 2.748102 4.216771 7.430459 6.354972 7.299378 6.119621 3.522094 3.772039 0.000000 8.523274 5.674800 7.573365 7.285059 2.076304 4.186583 5.040289 4.805962 3.896535 2.599994 1.098266 5.436333 2.171878 6.234013 5.594868 7.044510 5.537036 2.791829 3.673963 6.588826 6.483170 7.144947 5.804834 2.295285 3.135695 1.774737 0.000000 6.561922 6.323512 7.594187 7.606614 2.681209 5.535235 5.218005 6.902854 4.621004 3.388610 2.142306 4.908110 1.095132 5.739159 4.326379 6.026683 6.796970 2.168427 5.686543 6.713054 4.697252 5.550036 7.497466 3.938971 3.090020 2.502346 3.063202 0.000000 6.486709 5.225557 6.587567 6.875659 2.774817 5.239041 4.939345 6.636079 4.265417 2.806484 2.157860 4.647600 1.094408 5.162867 4.525825 5.521900 6.598771 2.160158 5.346809 5.843716 4.930879 5.407565 7.299813 2.954756 2.352126 3.065386 2.503417 1.762718 0.000000 4.878573 4.981768 5.757612 5.049467 3.366115 4.149219 2.645178 6.162759 3.073088 3.329782 4.501348 2.144033 4.594307 3.392268 1.082892 3.872424 4.793830 6.067465 5.174336 4.657995 2.147441 3.382559 5.956188 4.414443 3.054305 4.921916 5.324150 4.009792 4.558465 0.000000 2.860362 3.710115 2.349457 3.664680 6.680021 6.708097 4.595555 8.863817 5.452199 5.595131 7.467196 3.414647 7.039176 2.153356 3.870532 1.081018 7.261672 8.303131 7.836620 2.706767 3.400033 2.148372 8.546495 6.040040 4.735134 8.393068 7.801440 6.874507 6.203848 4.953413 0.000000 8.345865 4.584571 5.930662 3.964482 4.801937 2.164469 2.629391 3.321267 2.808855 4.286068 6.163608 3.935018 7.165496 4.768584 4.761388 6.078195 1.075104 8.571450 3.247050 4.662349 6.067714 6.614295 2.230390 4.679722 4.908449 6.559701 6.316019 7.211546 7.060676 4.611985 6.835827 0.000000 8.878428 7.273783 8.841717 9.089775 4.150871 6.686305 7.063448 7.399276 6.116837 4.632113 2.781617 7.033216 2.179122 7.607408 6.916067 8.025691 8.064025 1.094644 6.276560 8.117789 7.372730 7.909238 8.407024 4.397581 4.613004 3.102040 2.605767 3.083042 2.521936 6.750531 8.655872 8.757247 0.000000 8.929694 8.107917 9.621491 9.664220 4.100266 6.935894 7.271424 7.657536 6.382068 5.017110 2.780434 7.214821 2.179145 8.015341 6.791191 8.383343 8.242617 1.094622 6.585372 8.772191 7.218767 8.007077 8.596560 5.123379 5.036580 2.558852 3.160671 2.524968 3.076778 6.397520 9.150322 8.893819 1.769006 0.000000 7.964463 7.685197 8.929155 9.355905 4.641077 7.432266 7.324676 8.497269 6.606373 5.148300 3.474312 6.982867 2.176153 7.514694 6.573139 7.649508 8.793194 1.093041 7.295848 8.285689 6.725967 7.269795 9.337297 5.227174 4.815701 3.756035 3.791297 2.515301 2.498655 6.438861 8.277737 9.331849 1.767377 1.768316 0.000000 9.240276 5.067880 7.178310 6.203205 2.589690 2.161423 4.066244 2.123845 2.819709 2.639320 3.113426 5.099840 4.507724 6.001544 5.669520 7.196014 3.253675 5.454823 1.076539 6.001176 6.917930 7.581200 3.199985 2.285507 3.709549 3.451114 2.706058 5.078552 4.645477 5.352993 7.973752 4.232518 5.296413 5.697115 6.436729 0.000000 2.874881 6.011270 6.021952 6.043684 5.274631 6.452556 4.576697 8.551721 5.192652 5.118015 6.022289 3.406591 5.479487 3.871666 2.148056 3.401978 7.124922 6.743461 7.480551 5.373909 1.082471 2.153755 8.353606 6.095177 4.375502 6.512220 6.887095 4.692015 5.250695 2.476387 4.293207 6.818679 7.559508 7.180542 6.710566 7.525953 0.000000 10.941592 6.514152 8.193339 6.313725 5.871924 3.248494 5.019582 2.161628 4.586950 5.694843 6.943906 6.417234 8.285751 7.278471 7.176666 8.639470 2.191718 9.444087 3.173630 6.980719 8.548889 9.185634 1.078314 5.730676 6.628318 7.085786 6.826139 8.533579 8.375652 6.829087 9.374057 2.745367 9.431614 9.589960 10.386988 4.184049 9.225196 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2641173 0.1598701 0.1166633 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= 1.54D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 8.80D-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= 623 623 623 623 623 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.20613349452 -1580.20613349 1 1.574842552297e+03 -7.937742247724e+03 2.671624923572e+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 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 78.3553, EpsInf= 1.7778) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 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= 770000000 NMat= 114 IRICut= 285 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. 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= 3.04D+02 6.28D+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= 4.49D+01 1.36D+00. 114 vectors produced by pass 2 Test12= 4.57D-14 1.00D-09 XBig12= 5.05D-01 6.36D-02. 114 vectors produced by pass 3 Test12= 4.57D-14 1.00D-09 XBig12= 3.10D-03 4.54D-03. 114 vectors produced by pass 4 Test12= 4.57D-14 1.00D-09 XBig12= 8.71D-06 2.76D-04. 102 vectors produced by pass 5 Test12= 4.57D-14 1.00D-09 XBig12= 2.03D-08 1.25D-05. 50 vectors produced by pass 6 Test12= 4.57D-14 1.00D-09 XBig12= 3.09D-11 4.98D-07. 3 vectors produced by pass 7 Test12= 4.57D-14 1.00D-09 XBig12= 4.59D-14 2.32D-08. 1 vectors produced by pass 8 Test12= 4.57D-14 1.00D-09 XBig12= 7.67D-17 1.32D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 726 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 309.82 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 403.687 -35.607 282.202 1.376 -9.274 243.580 405.815 -30.552 293.452 -0.541 -12.560 262.131 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT88000.300S Mon Dec 13 14:26:30 2021 -6.35391709e-01 2.20908237e+00 2.19735104e-01 4.03686576e+02 -3.56070849e+01 2.82201569e+02 1.37577185e+00 -9.27355799e+00 2.43579755e+02 -6.2430 0.0004 0.0008 0.0010 2.9180 6.8391 12.4866 20.7948 33.1019 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 8.7463 20.6757 33.0188 36.2439 47.1418 49.2061 71.3982 84.9993 101.4377 119.3415 126.4238 145.1827 152.5256 203.5890 225.6402 239.3913 264.1094 282.3296 286.7213 301.4887 339.5104 347.5255 359.9000 388.9222 436.4118 475.8249 480.3023 498.6045 530.6959 554.9410 592.5907 612.3539 613.4528 654.4789 655.8916 664.2503 686.7642 732.2840 751.8671 764.3584 772.1130 794.2487 840.8360 852.7930 866.0566 890.3849 896.0170 903.7790 907.8533 914.8309 970.8669 983.6586 997.6007 1025.2342 1037.6516 1042.9811 1054.8500 1076.1569 1076.5550 1093.4988 1118.3798 1121.3647 1125.5544 1143.2259 1164.2343 1191.3156 1232.3516 1255.6052 1265.9713 1291.7095 1303.2522 1307.0787 1321.3346 1328.7119 1333.3289 1337.0567 1345.0057 1403.2521 1415.0590 1420.3976 1430.8303 1436.7227 1471.4939 1480.8913 1487.7547 1500.9551 1502.7131 1511.8076 1525.6072 1566.0730 1599.8088 1633.1371 1850.2514 3001.4676 3019.3141 3019.6044 3027.2077 3055.7545 3078.8067 3089.5443 3090.5446 3097.0287 3196.4953 3210.2977 3221.2010 3255.4436 3284.7366 3300.2572 4.7720 5.8510 6.1090 5.5792 10.9531 6.1953 2.0353 3.3839 4.3623 5.4288 6.2722 6.2175 10.9146 6.4781 5.4874 1.1399 10.1200 4.1409 3.8587 4.3617 4.8730 11.9716 8.4437 3.1197 4.6791 7.5660 5.7341 7.6279 5.6286 4.0759 6.7099 6.4890 3.7643 5.7588 3.5978 6.2464 8.9817 4.6195 1.2946 4.5997 1.1050 3.8600 1.4515 2.3185 3.5028 1.4009 1.9388 1.2335 1.4459 6.4329 3.6674 1.3531 4.9638 2.2637 2.8850 11.2425 5.7535 3.7930 2.1224 5.8089 1.9675 2.3867 2.0890 2.7236 1.4553 1.8088 3.5284 1.3004 4.3049 1.3156 1.3008 1.3350 6.5390 1.4790 2.4866 1.9753 1.4750 1.2483 1.3868 2.5812 1.6849 3.8655 1.0564 1.0386 1.0796 1.1093 2.7104 2.7848 1.1112 4.5870 8.1118 6.2686 11.8736 1.0668 1.0365 1.0656 1.0600 1.1007 1.1013 1.1015 1.1011 1.0970 1.0899 1.0961 1.0928 1.0959 1.0989 1.1044 0.0002 0.0015 0.0039 0.0043 0.0143 0.0088 0.0061 0.0144 0.0264 0.0456 0.0591 0.0772 0.1496 0.1582 0.1646 0.0385 0.4159 0.1945 0.1869 0.2336 0.3309 0.8519 0.6444 0.2780 0.5251 1.0093 0.7794 1.1173 0.9340 0.7396 1.3883 1.4336 0.8346 1.4534 0.9119 1.6238 2.4959 1.4595 0.4312 1.5833 0.3881 1.4347 0.6046 0.9934 1.5480 0.6544 0.9171 0.5936 0.7021 3.1720 2.0367 0.7714 2.9106 1.4019 1.8302 7.2055 3.7719 2.5881 1.4493 4.0925 1.4499 1.7682 1.5593 2.0973 1.1622 1.5125 3.1572 1.2079 4.0650 1.2933 1.3017 1.3438 6.7265 1.5385 2.6045 2.0806 1.5721 1.4482 1.6361 3.0683 2.0323 4.7011 1.3478 1.3420 1.4079 1.4724 3.6061 3.7500 1.5238 6.6283 12.2321 9.8506 23.9493 5.6624 5.5674 5.7246 5.7231 6.0556 6.1507 6.1946 6.1964 6.1996 6.5614 6.6555 6.6809 6.8429 6.9859 7.0873 0.3126 1.0583 0.2813 1.5644 0.3087 1.6449 1.0463 3.2636 4.3074 0.2484 0.2172 1.6821 2.2987 2.6430 1.6404 0.1871 0.1116 1.1143 9.3435 1.4630 6.9669 0.1874 8.2963 9.7905 12.7380 15.8184 13.8824 6.1686 10.3855 23.8482 20.1942 2.5293 9.8475 41.8589 20.9830 17.0095 40.3935 56.1510 57.8060 3.3144 7.9044 100.1066 39.7035 53.9744 34.1462 1.0441 18.2519 0.4164 59.5791 4.9187 88.8364 5.2198 79.9768 63.4281 1.2733 464.6633 237.9445 71.9619 297.1351 296.5400 31.6986 133.2815 0.4777 5.0848 15.2582 7.2908 496.5592 44.1122 320.1575 40.4088 29.1369 64.8430 98.9683 125.8308 203.2059 26.1443 92.7846 1.0882 41.6486 202.6106 149.4220 59.3006 2.9961 10.9814 1.4416 1.4661 457.9982 71.0916 18.8263 38.9535 12.1721 21.5548 769.9196 68.5589 56.9104 34.0197 48.9748 5.0072 27.7845 60.7644 102.1553 54.2980 0.8228 0.0693 4.3389 5.5202 8.4654 9.4793 -0.07 -0.09 -0.06 0.01 0.10 0.02 0.02 0.06 0.05 0.03 0.03 0.08 -0.03 0.02 -0.04 -0.03 0.03 -0.02 -0.03 0.00 -0.03 -0.02 0.05 -0.00 -0.03 0.02 -0.03 -0.05 0.03 -0.05 0.08 -0.04 -0.01 -0.03 -0.02 -0.03 0.16 -0.00 0.15 -0.02 0.00 -0.01 -0.06 -0.06 -0.07 -0.03 -0.02 -0.01 -0.01 0.03 -0.01 0.28 -0.07 0.19 -0.03 0.05 -0.01 0.01 0.05 0.04 -0.07 -0.08 -0.08 -0.05 -0.06 -0.05 -0.01 0.04 -0.00 -0.07 0.04 -0.04 -0.05 0.03 -0.07 0.05 -0.03 -0.04 0.15 -0.12 -0.07 0.09 0.08 0.21 0.20 -0.01 0.18 -0.07 -0.07 -0.09 -0.01 -0.01 0.01 -0.00 0.02 -0.02 0.35 -0.15 0.13 0.24 -0.06 0.17 0.33 -0.04 0.31 -0.04 0.05 -0.02 -0.09 -0.11 -0.11 0.00 0.05 0.01 -0.03 -0.04 0.01 -0.08 -0.16 -0.01 -0.08 -0.15 -0.09 -0.06 -0.07 -0.11 -0.01 0.06 -0.08 0.00 0.05 0.05 -0.00 0.03 0.09 0.00 0.06 0.02 0.00 0.06 0.04 0.02 0.09 -0.02 0.09 0.05 -0.13 -0.01 0.02 0.07 0.15 0.10 -0.06 -0.04 -0.04 0.01 0.01 0.07 0.12 -0.04 -0.06 -0.01 -0.01 0.01 0.12 0.24 0.09 -0.11 0.01 0.08 -0.01 -0.06 -0.11 -0.05 0.01 0.05 0.10 -0.02 -0.01 0.04 -0.01 0.01 0.10 0.05 0.13 -0.03 0.02 0.10 0.00 0.06 0.02 -0.19 0.14 0.05 -0.16 0.09 0.11 -0.02 0.18 0.13 -0.00 0.03 0.12 0.17 -0.06 -0.11 -0.06 -0.02 -0.02 0.17 0.29 0.08 -0.14 0.21 0.05 -0.16 0.28 0.12 -0.06 0.02 0.11 -0.07 0.02 0.09 0.14 -0.02 -0.01 0.14 0.02 0.07 0.13 0.10 -0.00 -0.11 0.10 0.00 -0.03 0.04 0.00 -0.09 -0.11 0.03 -0.10 -0.02 -0.01 0.02 -0.00 0.00 -0.12 -0.02 0.01 0.14 -0.03 0.00 -0.07 -0.06 0.01 -0.08 -0.07 0.01 -0.09 -0.01 -0.01 -0.11 -0.05 -0.03 0.05 0.03 0.01 -0.05 -0.05 -0.02 -0.11 0.04 0.02 0.01 -0.00 -0.12 0.22 -0.02 -0.05 0.07 -0.03 0.06 -0.01 0.07 0.00 -0.07 -0.04 -0.01 -0.04 0.00 0.02 0.03 -0.01 -0.11 0.28 -0.05 0.04 -0.08 -0.07 -0.02 -0.07 -0.14 0.05 -0.14 0.02 -0.02 -0.15 -0.14 0.01 0.11 0.02 -0.07 0.09 -0.08 -0.04 -0.15 0.07 0.04 0.06 0.01 -0.19 0.29 0.07 -0.08 0.01 -0.09 -0.01 0.03 -0.00 -0.07 0.18 -0.04 0.15 -0.16 -0.07 -0.01 -0.04 -0.00 -0.17 0.43 -0.10 -0.10 0.05 0.06 0.06 -0.06 0.09 -0.03 -0.04 0.11 0.05 -0.07 0.14 -0.01 0.09 -0.03 0.00 -0.00 -0.02 0.09 -0.07 -0.07 -0.16 0.16 -0.02 0.04 -0.02 0.01 0.02 0.02 0.08 -0.01 0.12 -0.02 0.07 -0.04 0.07 0.06 -0.12 0.01 0.03 -0.03 -0.07 0.08 -0.02 -0.01 -0.02 0.00 -0.06 0.03 -0.06 0.03 0.07 -0.09 -0.04 -0.11 0.13 0.07 0.03 -0.05 -0.09 0.03 0.01 -0.06 -0.02 0.02 -0.08 -0.07 0.04 -0.08 -0.03 0.06 0.02 0.08 -0.06 0.23 -0.07 0.22 -0.09 -0.00 0.23 0.24 0.05 -0.22 -0.07 0.13 -0.21 -0.10 0.11 -0.02 0.01 -0.06 0.01 -0.05 0.11 -0.16 -0.14 0.09 0.01 0.17 0.00 -0.01 0.02 0.12 -0.27 -0.03 -0.16 0.20 -0.14 0.03 0.03 -0.10 -0.08 0.03 -0.01 0.00 -0.00 -0.22 0.26 0.23 -0.09 -0.23 -0.22 0.42 0.13 0.06 -0.02 0.01 -0.03 -0.00 -0.04 -0.01 0.00 0.03 0.00 -0.00 -0.07 -0.13 0.02 -0.00 0.00 0.05 -0.01 0.02 -0.02 0.02 -0.05 0.01 0.03 0.01 -0.04 -0.03 0.05 -0.01 -0.01 -0.03 0.02 0.07 0.05 -0.01 -0.02 -0.03 -0.07 -0.12 0.10 -0.05 -0.02 0.03 0.04 -0.02 -0.15 0.02 0.03 0.00 0.02 0.06 0.04 0.00 0.02 0.00 -0.07 -0.13 0.02 0.12 -0.01 -0.02 0.06 -0.03 0.09 -0.10 0.06 -0.10 0.06 0.04 -0.09 -0.12 -0.05 0.10 0.04 -0.07 0.10 0.03 0.10 0.07 -0.02 -0.04 -0.05 -0.12 -0.16 0.22 0.04 -0.01 -0.02 -0.13 0.02 -0.02 -0.06 -0.06 0.11 0.09 0.04 -0.26 0.02 0.09 0.07 -0.12 -0.19 0.07 0.07 0.13 0.12 -0.10 0.04 0.07 -0.06 -0.11 -0.08 0.10 -0.01 0.02 -0.05 -0.05 -0.02 -0.01 0.03 0.01 -0.02 -0.08 -0.03 -0.01 0.09 0.16 -0.05 -0.04 -0.01 -0.11 -0.02 -0.04 -0.00 -0.07 -0.02 -0.03 -0.10 -0.06 0.04 0.00 -0.08 -0.02 -0.06 -0.03 -0.03 -0.12 -0.09 0.00 -0.00 0.01 0.09 0.13 -0.14 0.09 -0.01 -0.08 -0.07 0.01 0.19 -0.02 -0.04 -0.01 -0.01 -0.07 -0.05 0.01 0.00 0.01 0.09 0.17 -0.05 -0.18 0.00 0.00 -0.12 -0.01 -0.11 0.05 -0.12 0.00 -0.06 -0.09 0.01 0.08 0.02 -0.10 -0.02 0.05 -0.10 -0.04 -0.17 -0.12 0.01 0.04 0.04 0.16 0.18 -0.30 0.04 -0.03 -0.06 0.15 -0.07 -0.07 0.12 0.04 -0.13 -0.16 -0.07 0.34 -0.00 -0.08 -0.06 0.16 0.26 -0.13 -0.01 -0.02 -0.01 0.02 0.00 -0.01 0.02 0.01 -0.00 0.01 0.01 -0.01 -0.03 -0.00 -0.05 0.00 -0.01 0.01 0.00 0.02 0.00 -0.01 -0.07 0.08 0.01 0.00 0.02 0.02 0.01 0.01 -0.01 0.02 -0.10 0.01 0.03 0.01 -0.03 -0.08 0.13 0.01 0.02 0.00 0.01 0.04 0.03 0.00 0.01 0.00 0.01 0.05 -0.08 -0.01 0.01 -0.07 -0.01 -0.07 0.10 0.01 0.01 -0.00 0.01 0.03 0.02 0.00 0.01 0.01 -0.00 0.01 -0.03 0.06 0.04 -0.01 0.02 -0.01 0.04 -0.18 0.09 -0.21 0.17 0.05 -0.20 -0.27 -0.19 0.25 0.19 -0.11 0.33 0.01 0.05 0.03 0.00 -0.01 -0.01 0.02 0.10 -0.16 0.27 0.12 -0.21 -0.27 0.06 -0.29 -0.02 -0.08 0.13 -0.01 -0.12 0.18 0.01 0.04 0.03 -0.00 0.03 -0.08 0.01 -0.01 -0.01 -0.02 -0.01 0.04 -0.03 -0.01 0.01 -0.01 -0.01 0.03 0.03 0.05 -0.13 0.02 0.03 -0.06 0.01 -0.00 0.04 -0.01 -0.10 0.11 0.03 0.04 -0.05 0.04 0.07 -0.11 0.00 0.07 -0.14 0.01 0.00 0.03 -0.02 0.03 -0.11 0.00 -0.00 0.02 0.02 0.02 0.05 0.00 -0.01 0.01 0.01 0.04 -0.08 -0.08 -0.10 0.21 0.00 -0.06 0.06 -0.01 -0.01 0.02 0.02 0.02 0.04 0.01 0.00 0.02 -0.01 -0.03 0.02 0.05 0.10 -0.11 0.04 0.06 -0.11 -0.01 0.09 -0.13 0.01 0.08 -0.14 0.09 0.22 -0.14 -0.11 -0.08 -0.29 0.03 0.03 0.06 -0.01 -0.01 -0.00 0.02 0.10 -0.17 -0.24 -0.30 0.26 0.06 0.00 0.42 -0.09 -0.12 0.19 0.01 -0.08 0.11 0.03 0.03 0.04 -0.02 -0.04 0.03 0.02 0.03 0.04 -0.06 -0.04 0.05 -0.07 -0.01 -0.01 -0.05 -0.03 0.03 0.23 0.07 0.01 0.02 0.08 -0.12 0.01 -0.00 0.03 -0.01 -0.04 0.03 0.02 0.08 -0.10 0.03 0.10 -0.13 0.11 0.06 0.11 -0.01 -0.04 -0.00 0.03 -0.06 0.13 -0.01 -0.03 0.01 -0.03 -0.10 -0.06 -0.01 -0.02 0.00 -0.01 0.01 -0.02 -0.10 0.07 -0.04 0.02 0.04 -0.08 -0.04 -0.03 0.02 -0.03 -0.10 -0.07 -0.01 -0.04 -0.02 -0.03 -0.05 0.07 -0.12 0.04 -0.06 0.03 0.17 -0.28 0.09 0.15 0.16 0.10 0.03 0.10 -0.08 -0.22 0.16 0.15 -0.08 0.24 -0.04 -0.13 -0.08 -0.00 0.01 0.02 -0.01 0.03 -0.02 0.07 0.24 -0.11 -0.29 0.14 -0.18 -0.18 -0.05 0.03 0.04 0.07 -0.12 -0.04 -0.13 -0.11 -0.05 -0.11 0.15 0.07 0.04 -0.02 0.04 -0.08 0.04 0.03 -0.06 0.00 0.02 0.00 -0.04 -0.16 0.12 0.03 -0.01 0.02 0.01 0.03 0.02 0.06 -0.04 -0.17 -0.04 0.01 0.04 0.06 -0.01 0.04 0.07 -0.10 0.12 0.02 0.02 -0.03 0.02 -0.04 0.20 0.04 0.03 0.01 0.05 0.00 -0.14 -0.09 0.04 0.02 0.04 -0.11 0.02 -0.04 0.08 0.16 0.04 0.03 -0.10 0.01 0.03 -0.02 0.02 0.00 -0.15 -0.13 0.03 -0.04 -0.04 -0.13 -0.09 -0.07 0.10 0.06 0.02 -0.02 -0.04 0.18 -0.09 0.08 -0.00 -0.09 0.11 0.01 -0.03 0.25 0.05 -0.06 0.24 0.04 -0.01 -0.21 -0.14 0.05 0.08 0.08 -0.16 0.11 -0.06 0.07 0.11 0.03 0.12 0.10 0.03 0.14 0.23 0.04 0.10 -0.13 0.04 -0.02 -0.23 -0.21 -0.21 -0.12 -0.11 0.05 0.03 0.02 -0.00 0.13 -0.11 0.02 0.07 0.06 0.01 -0.16 0.20 -0.10 0.07 0.02 0.01 0.04 -0.11 0.01 -0.04 -0.04 -0.03 -0.07 0.05 -0.00 0.01 -0.07 -0.04 -0.01 -0.02 -0.07 0.02 0.08 -0.00 -0.07 -0.04 -0.02 0.10 0.05 -0.05 -0.18 -0.15 0.07 0.08 0.10 -0.05 -0.20 -0.18 -0.01 0.01 -0.06 0.06 0.11 -0.03 -0.01 -0.01 -0.04 -0.01 -0.06 -0.02 0.08 0.11 0.12 0.02 -0.05 -0.03 -0.03 -0.06 0.04 -0.01 -0.05 -0.04 -0.05 -0.06 0.03 -0.01 0.00 0.13 -0.12 -0.03 0.10 -0.01 0.08 0.04 -0.04 0.16 0.08 0.12 0.19 0.21 -0.09 -0.27 -0.25 -0.01 0.03 -0.09 0.07 0.13 -0.03 0.08 0.03 -0.07 0.10 0.17 -0.05 0.00 -0.00 -0.06 0.14 0.26 0.26 -0.04 -0.10 0.10 0.02 0.09 0.05 0.04 0.08 -0.13 0.07 -0.01 0.02 0.03 -0.06 0.03 0.14 -0.02 -0.01 -0.04 -0.04 0.24 0.00 0.06 0.12 -0.01 0.02 -0.13 -0.01 0.04 0.16 0.04 0.10 0.05 0.10 0.06 -0.11 -0.02 -0.00 -0.00 0.04 -0.05 -0.04 -0.06 -0.09 -0.09 -0.02 -0.03 -0.03 -0.08 -0.14 -0.13 -0.11 0.02 0.11 -0.08 -0.06 0.06 0.01 -0.03 0.09 0.01 -0.03 -0.05 -0.04 -0.07 -0.07 -0.05 -0.09 -0.09 -0.09 0.06 -0.12 0.00 0.16 0.08 0.05 0.17 -0.03 -0.01 0.08 -0.20 0.20 0.15 -0.14 0.00 -0.04 -0.02 0.09 -0.14 -0.06 -0.01 0.01 0.01 -0.09 -0.17 -0.16 -0.16 0.04 0.18 -0.06 -0.08 0.04 -0.14 0.07 0.10 -0.15 -0.16 0.12 0.06 -0.08 0.15 -0.03 -0.05 -0.05 -0.12 0.11 -0.27 -0.05 -0.15 0.26 -0.15 0.01 0.05 -0.22 0.23 -0.15 -0.15 -0.02 0.07 -0.06 0.02 0.02 0.10 -0.07 0.08 0.11 0.10 -0.10 0.12 -0.06 -0.03 0.11 -0.01 0.04 0.13 -0.04 0.12 -0.04 0.06 -0.06 0.08 0.07 -0.11 -0.01 0.07 -0.02 0.08 0.03 -0.12 -0.02 0.03 -0.13 0.07 -0.03 -0.13 0.09 -0.04 0.02 0.03 0.04 0.03 0.13 -0.08 0.04 -0.08 0.06 -0.05 -0.06 -0.03 -0.13 -0.01 -0.04 -0.09 0.10 -0.03 -0.05 0.28 -0.02 0.04 0.13 -0.13 0.26 -0.09 0.04 -0.13 0.03 0.11 -0.08 -0.02 0.12 0.00 -0.02 0.06 -0.02 -0.06 0.06 -0.16 0.09 -0.04 -0.12 0.08 -0.03 0.03 0.02 -0.01 0.02 0.06 0.03 0.05 0.06 0.07 0.04 0.15 -0.09 0.06 -0.10 -0.05 -0.15 0.09 -0.02 -0.10 -0.10 0.15 -0.02 -0.00 0.06 -0.06 0.04 -0.08 0.07 -0.01 0.05 -0.06 -0.03 -0.03 0.04 0.11 0.02 -0.15 0.01 0.05 0.06 0.11 -0.03 0.08 0.08 -0.03 0.01 0.17 -0.10 0.13 -0.02 0.02 -0.04 -0.03 0.04 0.10 -0.01 0.01 -0.02 -0.10 0.00 0.03 -0.09 -0.03 0.05 -0.15 -0.08 -0.03 0.17 -0.02 -0.08 0.02 -0.01 0.00 0.09 0.01 -0.06 -0.04 0.01 0.01 -0.14 -0.12 -0.04 -0.16 -0.08 -0.05 0.16 -0.05 0.07 0.35 -0.13 0.03 0.18 -0.16 0.34 -0.07 -0.00 -0.11 0.05 0.08 -0.06 -0.02 0.04 -0.01 -0.01 0.01 -0.02 -0.11 -0.00 0.04 -0.14 -0.12 -0.04 0.20 -0.04 -0.12 -0.00 -0.04 0.01 0.06 -0.03 0.02 0.04 0.02 -0.01 0.08 0.04 -0.11 -0.13 -0.16 -0.08 0.18 -0.09 0.18 0.06 -0.01 0.01 0.01 -0.05 0.05 -0.02 0.03 -0.02 0.01 -0.02 0.03 -0.04 -0.13 0.09 0.00 0.24 -0.14 0.03 0.10 -0.04 -0.07 -0.02 0.05 -0.02 0.09 0.07 -0.02 -0.02 0.21 0.04 -0.08 -0.09 0.02 0.04 0.01 0.02 -0.13 -0.07 0.04 -0.00 -0.00 0.02 0.02 -0.02 0.03 -0.03 -0.04 -0.11 0.17 -0.04 -0.01 -0.14 -0.04 0.02 0.13 -0.08 0.02 -0.01 0.01 0.02 -0.02 -0.05 0.03 -0.04 -0.04 -0.16 -0.01 0.09 0.06 -0.05 0.16 -0.01 -0.00 0.28 -0.06 -0.12 -0.23 0.15 0.03 -0.13 0.01 -0.14 -0.06 0.05 -0.16 -0.07 0.03 0.01 -0.01 0.02 -0.04 -0.05 -0.16 0.24 -0.03 -0.09 -0.16 0.00 0.06 -0.16 0.01 -0.01 -0.12 -0.11 0.09 0.17 -0.16 0.00 -0.03 -0.05 -0.24 -0.12 0.21 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 -0.02 0.03 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.01 -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 -0.00 0.01 -0.01 0.02 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.03 0.02 -0.00 -0.01 0.01 0.05 -0.04 0.05 -0.09 0.02 0.07 0.06 0.10 -0.10 -0.07 0.04 -0.14 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.46 -0.13 -0.27 -0.39 0.29 -0.14 -0.01 -0.23 0.56 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.07 -0.14 0.14 -0.06 0.23 -0.15 0.02 -0.02 0.04 -0.09 0.23 -0.25 -0.03 -0.00 -0.03 0.02 0.07 -0.07 -0.03 -0.17 0.31 -0.01 -0.03 0.02 -0.00 -0.02 0.06 -0.06 0.02 -0.06 -0.05 -0.06 0.07 0.02 -0.06 0.13 -0.05 -0.03 -0.01 -0.09 0.05 0.02 0.17 -0.07 0.07 -0.05 0.01 -0.08 -0.02 0.05 -0.03 0.03 -0.06 -0.03 0.02 0.03 -0.04 -0.09 0.11 -0.04 0.16 -0.04 -0.06 0.08 -0.01 -0.12 -0.03 -0.02 0.03 -0.11 0.05 -0.02 -0.07 0.02 -0.11 0.05 -0.05 0.18 -0.17 -0.13 0.12 0.00 -0.02 -0.04 -0.10 0.01 -0.02 0.24 -0.11 0.13 -0.10 0.04 -0.12 -0.03 0.08 -0.05 0.13 -0.10 -0.10 -0.02 -0.06 -0.09 0.08 -0.04 0.08 0.04 0.05 -0.07 0.24 -0.05 -0.09 -0.06 -0.06 0.07 -0.02 -0.04 -0.01 -0.04 0.11 -0.13 -0.01 -0.05 -0.00 -0.03 -0.06 0.03 -0.09 0.01 0.04 0.01 0.02 -0.03 0.01 -0.04 -0.00 0.00 -0.01 0.01 -0.01 -0.02 0.03 0.01 -0.03 0.10 0.15 0.01 -0.07 -0.02 -0.08 -0.04 0.18 0.03 -0.01 -0.04 -0.04 -0.03 -0.01 -0.09 -0.04 0.04 0.13 0.11 0.01 0.01 -0.02 -0.12 0.12 0.05 0.01 0.01 -0.02 -0.05 -0.03 -0.04 0.03 0.01 0.02 0.05 0.12 0.11 0.00 -0.01 0.01 0.12 -0.05 0.04 0.02 -0.07 0.21 0.09 -0.08 -0.20 0.26 0.01 -0.13 0.17 -0.02 -0.01 0.21 -0.06 -0.04 -0.02 -0.15 -0.09 0.06 0.19 0.17 0.01 0.01 -0.02 -0.18 0.24 0.11 -0.19 0.30 0.13 -0.32 -0.09 -0.03 0.02 0.01 -0.03 0.04 -0.02 -0.01 -0.00 -0.02 0.03 -0.03 -0.02 -0.02 -0.03 0.08 -0.10 -0.01 -0.04 -0.01 -0.01 -0.07 0.05 0.17 -0.06 0.07 0.03 0.04 0.01 0.02 -0.00 0.01 0.02 -0.02 -0.01 0.01 0.02 0.02 0.02 0.02 0.02 -0.14 0.09 -0.04 -0.01 -0.05 -0.03 -0.19 0.01 0.01 -0.02 -0.03 -0.03 -0.02 -0.06 -0.04 0.03 0.10 0.10 -0.01 0.03 0.01 0.13 -0.09 -0.02 0.05 0.01 -0.01 -0.03 -0.04 -0.04 0.00 0.01 0.02 0.03 0.11 0.10 -0.01 -0.01 0.00 -0.07 -0.01 0.07 0.03 0.10 -0.09 -0.26 0.17 -0.10 -0.05 0.28 -0.03 -0.26 0.08 0.07 -0.14 0.06 0.08 -0.04 -0.10 -0.08 0.06 0.15 0.15 -0.02 0.05 0.02 0.10 -0.24 -0.04 0.28 -0.30 -0.05 0.33 0.16 -0.01 0.08 0.01 -0.01 0.00 -0.02 -0.01 -0.04 -0.03 0.00 -0.08 0.04 -0.02 -0.00 0.01 -0.03 -0.01 0.00 -0.02 0.00 -0.04 0.03 -0.13 0.05 -0.10 0.12 0.10 0.09 0.07 0.02 0.02 0.11 -0.11 -0.04 0.06 0.06 0.03 -0.09 0.07 -0.08 -0.00 -0.14 0.11 0.03 -0.01 -0.01 0.02 -0.09 -0.02 0.01 -0.01 -0.02 -0.03 -0.02 0.00 0.00 0.03 0.04 -0.00 0.11 0.06 -0.01 -0.08 -0.05 0.21 -0.01 0.04 -0.00 -0.01 -0.02 -0.04 -0.01 0.04 -0.04 0.04 0.06 -0.03 -0.03 -0.03 -0.09 0.16 -0.06 -0.11 0.01 -0.12 0.20 -0.13 0.32 -0.22 -0.36 0.17 0.12 -0.13 -0.09 -0.07 -0.05 -0.07 -0.07 0.00 -0.03 0.03 0.01 0.07 -0.08 0.19 0.09 0.06 -0.06 -0.09 -0.09 -0.06 -0.10 -0.03 -0.12 0.01 0.32 -0.03 0.05 -0.03 -0.02 0.02 -0.14 -0.08 -0.09 -0.01 0.01 -0.02 -0.04 -0.00 0.10 0.03 0.01 0.10 -0.06 0.14 -0.13 0.04 -0.06 0.09 0.06 0.05 0.04 0.06 -0.05 -0.15 0.07 -0.06 -0.03 -0.00 -0.01 -0.02 -0.14 0.00 0.01 0.02 0.06 -0.09 -0.01 -0.14 -0.11 0.02 0.05 0.00 0.00 -0.03 -0.01 -0.04 -0.11 -0.05 -0.04 -0.13 -0.07 0.01 0.04 0.04 -0.01 0.05 0.03 0.11 -0.01 0.01 -0.02 0.05 0.05 0.03 0.08 0.16 -0.02 -0.02 0.05 -0.00 -0.03 -0.02 -0.32 0.00 0.11 -0.17 0.03 -0.21 -0.12 0.02 -0.26 0.17 0.20 -0.13 -0.05 0.06 0.05 0.08 0.01 0.03 -0.08 -0.09 -0.08 -0.04 -0.23 -0.12 -0.03 0.07 0.06 -0.05 0.05 0.06 0.01 0.08 0.07 -0.04 0.03 0.00 0.16 -0.02 0.02 0.10 0.24 0.33 -0.06 -0.05 -0.05 -0.06 0.05 -0.04 0.14 -0.09 -0.05 -0.12 0.41 -0.35 0.18 0.04 -0.03 0.03 -0.05 0.06 0.00 0.02 -0.07 -0.03 -0.20 0.27 -0.01 -0.01 0.01 -0.02 -0.07 0.08 -0.07 -0.01 0.01 0.01 0.04 -0.05 0.01 -0.10 0.05 0.02 0.04 0.01 0.01 -0.01 -0.01 -0.01 -0.12 0.07 -0.05 -0.10 0.11 0.01 -0.00 -0.05 -0.01 0.05 0.03 -0.01 0.02 -0.05 0.12 0.07 -0.12 -0.02 -0.13 0.19 -0.07 -0.08 0.17 0.00 -0.02 0.02 -0.18 0.00 0.07 -0.09 0.00 -0.12 -0.07 0.00 -0.16 0.10 0.12 -0.08 -0.03 0.05 0.03 0.05 0.02 0.02 -0.07 -0.08 0.03 -0.01 -0.17 0.12 0.02 0.00 -0.07 -0.03 0.06 0.04 -0.00 0.08 0.05 -0.03 0.03 0.01 -0.03 0.03 -0.08 -0.01 -0.10 0.22 0.01 -0.04 0.07 0.24 -0.03 -0.07 -0.08 0.17 -0.07 -0.06 0.04 -0.05 -0.12 0.05 -0.09 -0.02 0.05 -0.06 -0.02 -0.02 0.04 0.01 0.13 -0.15 -0.02 0.02 -0.00 0.01 0.05 -0.05 0.09 0.01 0.00 -0.01 -0.02 0.05 -0.01 0.05 0.01 -0.02 -0.03 -0.00 0.03 -0.02 0.03 -0.10 0.02 0.06 -0.00 -0.16 0.22 -0.02 -0.01 0.03 0.01 -0.04 -0.02 -0.03 -0.01 0.03 -0.04 0.03 -0.04 -0.13 -0.17 0.17 -0.01 -0.22 0.22 -0.01 0.03 -0.01 0.22 -0.01 -0.07 0.12 -0.00 0.15 0.07 0.01 0.15 -0.09 -0.10 0.07 0.02 -0.04 -0.03 -0.04 -0.01 -0.02 -0.18 0.10 0.01 0.07 -0.21 0.27 -0.02 -0.02 0.04 0.03 -0.05 -0.04 0.00 -0.06 -0.04 0.03 -0.02 -0.01 -0.03 -0.02 0.05 -0.32 -0.21 0.20 0.00 0.05 -0.04 -0.03 -0.01 -0.01 0.00 -0.03 0.04 0.01 0.03 0.02 0.02 0.03 -0.03 -0.00 0.07 -0.08 -0.03 0.00 0.00 0.01 0.01 0.04 -0.05 0.04 0.02 0.01 0.02 0.01 0.22 -0.01 0.04 -0.00 -0.02 0.06 -0.02 -0.08 -0.05 -0.02 -0.03 -0.00 -0.02 -0.03 -0.03 -0.04 -0.15 -0.13 -0.03 -0.05 -0.07 -0.04 0.02 0.00 0.01 -0.05 -0.03 -0.05 0.02 0.01 0.01 0.01 0.01 0.05 0.09 0.08 0.03 0.09 0.07 -0.04 0.03 0.01 0.49 -0.06 -0.11 0.27 -0.02 0.36 0.09 0.04 0.20 -0.12 -0.12 0.10 0.03 -0.05 -0.03 -0.06 -0.01 -0.02 -0.08 -0.26 -0.22 -0.06 -0.13 -0.15 -0.03 0.02 -0.00 0.04 -0.06 -0.04 0.01 -0.08 -0.06 0.04 -0.01 -0.01 -0.05 0.03 0.01 0.11 0.18 0.17 -0.02 0.04 0.02 0.10 -0.05 -0.01 0.04 -0.03 -0.03 -0.02 -0.03 -0.02 0.02 -0.02 0.06 -0.05 0.02 0.05 0.01 -0.04 -0.05 -0.08 0.13 0.14 0.06 -0.03 -0.00 -0.01 0.03 0.08 -0.13 0.08 0.02 0.01 0.00 -0.00 -0.08 0.14 0.05 0.01 -0.03 -0.02 -0.04 0.07 0.05 -0.13 -0.05 -0.17 -0.08 -0.07 -0.07 0.09 -0.07 -0.05 -0.00 -0.04 -0.02 0.02 -0.05 -0.05 0.00 0.00 0.01 -0.04 0.13 0.02 0.05 0.10 0.08 0.10 -0.05 0.00 -0.31 0.19 0.12 -0.19 0.05 -0.22 -0.00 -0.02 -0.03 0.03 0.02 -0.01 0.01 -0.04 -0.02 0.01 -0.04 -0.02 -0.18 -0.26 -0.34 -0.19 -0.22 -0.27 0.13 -0.11 -0.07 0.00 -0.05 -0.02 0.01 -0.04 -0.01 0.01 -0.03 -0.01 -0.02 -0.04 -0.06 -0.10 0.13 0.04 0.13 -0.05 0.03 0.11 -0.05 0.00 -0.12 -0.15 0.04 0.04 0.18 0.17 0.20 0.03 -0.10 -0.00 0.03 0.00 0.02 0.02 0.02 -0.11 0.02 0.07 0.08 -0.04 -0.01 -0.07 0.02 0.01 0.02 0.02 0.02 0.01 0.01 0.01 -0.19 -0.09 -0.12 -0.00 -0.01 -0.01 -0.20 -0.20 -0.18 -0.07 0.13 0.05 -0.06 0.13 0.09 0.05 0.02 0.01 0.00 -0.02 -0.01 0.09 -0.02 -0.00 -0.05 -0.06 -0.05 -0.10 0.03 -0.10 -0.01 0.03 -0.03 0.05 -0.03 -0.00 0.11 -0.03 -0.03 0.05 0.04 0.12 0.01 0.02 0.02 0.01 0.01 0.01 0.00 -0.02 -0.01 -0.00 -0.02 -0.01 0.05 0.31 0.27 -0.01 0.43 0.30 0.05 0.03 0.00 0.01 -0.03 -0.02 0.01 -0.03 -0.01 0.02 -0.01 -0.00 0.14 -0.02 -0.01 -0.14 0.03 -0.08 0.02 -0.04 -0.01 -0.08 0.04 -0.01 -0.10 0.05 0.09 0.10 0.04 0.04 -0.05 -0.05 -0.09 -0.09 0.17 0.12 -0.04 -0.09 -0.06 0.09 0.05 0.06 -0.05 0.03 0.01 0.06 0.07 0.07 -0.09 0.15 0.07 0.08 0.10 0.03 0.09 -0.04 -0.05 0.00 -0.09 -0.06 0.07 -0.09 -0.11 0.07 0.01 0.01 0.10 -0.01 0.03 0.03 -0.13 -0.07 0.01 -0.16 -0.07 -0.13 -0.05 -0.05 0.03 -0.03 -0.04 0.03 -0.07 0.02 0.01 -0.01 0.05 0.05 -0.02 -0.00 -0.22 0.25 0.15 -0.16 0.03 -0.10 0.03 0.09 -0.03 0.14 0.15 0.02 0.04 -0.17 -0.09 0.03 -0.17 -0.08 0.06 0.11 0.05 0.18 0.00 0.12 0.09 -0.19 -0.10 0.03 -0.24 -0.10 0.04 -0.22 -0.08 0.08 -0.09 -0.02 -0.23 -0.03 -0.05 0.02 -0.09 0.00 0.14 0.02 0.04 0.00 0.01 -0.02 -0.12 0.09 0.19 0.21 0.01 -0.00 -0.13 -0.14 -0.07 0.07 -0.17 -0.12 0.01 0.02 -0.01 -0.05 -0.07 0.21 -0.01 0.00 0.01 -0.00 -0.09 0.14 0.02 -0.07 -0.04 -0.09 -0.12 -0.03 0.04 0.13 -0.09 -0.00 0.08 0.05 0.09 -0.01 -0.13 -0.04 0.12 -0.13 0.08 -0.05 0.01 -0.00 0.06 -0.05 -0.01 0.14 0.06 0.02 0.05 -0.04 0.10 -0.02 -0.08 -0.10 0.02 -0.01 0.01 0.02 0.10 -0.03 -0.01 0.04 0.00 0.04 -0.01 0.04 0.00 -0.10 -0.01 -0.11 0.06 -0.17 -0.19 -0.00 -0.03 0.15 0.08 -0.04 0.15 0.07 -0.12 0.17 -0.21 0.13 -0.15 0.01 -0.01 0.10 -0.10 -0.03 0.22 0.09 -0.04 0.19 0.07 -0.08 0.07 0.02 0.03 0.08 -0.11 -0.26 -0.03 -0.02 -0.04 -0.05 0.09 -0.04 0.01 -0.00 -0.13 -0.04 -0.08 -0.03 0.11 0.14 0.15 -0.01 -0.08 0.03 -0.12 -0.08 -0.01 -0.02 -0.03 0.09 0.15 -0.12 -0.04 0.03 0.00 0.07 0.02 0.04 -0.04 0.00 -0.01 -0.06 -0.10 -0.02 0.11 0.09 0.18 -0.00 0.04 0.03 0.00 -0.05 0.01 0.06 -0.08 0.06 -0.00 -0.05 -0.05 -0.02 -0.04 -0.01 -0.00 0.08 0.04 -0.06 -0.00 -0.00 -0.08 -0.07 -0.03 0.06 -0.10 -0.03 0.08 0.14 0.13 -0.01 0.01 -0.00 -0.16 0.16 0.07 -0.07 0.02 -0.21 0.00 -0.09 0.05 -0.13 -0.16 -0.00 -0.02 0.09 0.05 -0.03 0.10 0.05 0.00 -0.27 -0.10 -0.09 -0.24 -0.24 -0.02 -0.07 0.02 -0.02 0.14 0.06 -0.03 0.12 0.04 -0.05 0.03 0.01 -0.11 -0.01 0.02 0.03 -0.34 -0.29 0.02 0.03 0.01 -0.00 0.01 0.00 0.06 -0.02 -0.04 -0.08 -0.05 0.01 -0.01 0.08 0.04 0.05 -0.07 -0.13 -0.02 -0.04 -0.02 0.07 0.11 -0.02 -0.02 0.01 0.00 0.01 -0.01 0.25 -0.01 0.11 0.07 -0.05 -0.08 0.00 -0.01 -0.11 -0.11 -0.01 0.02 0.03 0.00 -0.04 -0.03 0.00 -0.02 -0.01 0.04 0.05 0.05 0.03 -0.02 -0.11 -0.00 0.06 0.03 -0.05 -0.00 -0.08 -0.03 0.03 0.04 0.02 0.02 0.05 -0.04 -0.10 -0.08 0.03 -0.04 0.04 -0.08 0.40 0.14 -0.03 0.17 -0.12 0.07 -0.04 0.15 -0.18 -0.20 0.04 -0.02 0.06 0.04 -0.05 0.09 0.04 0.06 0.17 0.15 0.13 0.22 0.23 0.08 -0.03 -0.17 -0.01 0.10 0.04 -0.02 0.07 0.02 -0.03 0.03 0.00 -0.09 0.05 -0.16 0.10 0.22 0.24 0.07 -0.06 0.13 0.00 0.01 -0.01 -0.05 -0.12 -0.16 -0.12 -0.08 0.16 0.09 0.15 0.09 -0.02 0.06 0.05 0.00 -0.05 0.08 0.05 -0.18 0.11 -0.04 0.02 0.00 0.06 -0.09 0.01 0.01 -0.06 -0.05 0.03 0.06 0.01 0.15 0.11 -0.13 0.01 -0.01 -0.01 0.10 0.08 -0.10 0.02 0.15 -0.13 0.09 -0.08 -0.01 -0.03 0.07 -0.08 0.00 -0.03 -0.02 -0.01 0.06 -0.04 -0.11 0.04 0.01 -0.10 -0.03 0.03 -0.01 -0.01 0.11 -0.06 -0.01 0.06 -0.03 -0.09 -0.03 -0.01 -0.14 -0.07 -0.02 0.05 -0.06 0.10 0.11 -0.01 0.02 -0.04 -0.03 0.02 -0.05 -0.03 -0.14 0.25 -0.26 0.17 -0.26 -0.02 -0.03 0.19 -0.22 0.01 -0.06 -0.03 0.01 -0.05 -0.02 0.03 -0.01 0.00 -0.01 0.14 -0.17 -0.31 -0.11 0.01 -0.07 -0.03 0.10 -0.00 -0.01 -0.01 0.19 -0.01 0.07 -0.05 -0.10 -0.07 -0.11 0.18 0.06 0.00 -0.03 -0.01 0.01 0.05 -0.10 0.01 0.03 0.04 -0.00 -0.00 0.00 0.02 0.05 -0.02 -0.00 0.01 0.01 -0.02 -0.04 -0.01 -0.01 -0.06 -0.07 0.00 0.01 0.00 -0.08 -0.21 -0.21 0.04 0.10 0.08 -0.02 -0.08 -0.07 -0.01 -0.06 0.08 0.00 0.02 0.01 -0.02 -0.04 0.05 0.02 0.08 0.07 -0.05 -0.12 -0.11 0.09 0.22 0.22 0.02 0.03 -0.05 -0.01 0.00 0.01 -0.00 0.01 0.01 -0.01 -0.04 -0.00 -0.03 -0.04 -0.01 -0.01 0.02 0.01 -0.01 0.02 0.01 0.07 0.19 0.15 -0.02 -0.12 -0.09 -0.03 -0.16 0.23 -0.01 0.03 0.01 -0.01 0.03 0.01 -0.02 0.00 -0.00 -0.05 -0.12 0.19 -0.18 -0.40 -0.38 0.03 0.06 -0.09 0.01 -0.01 0.00 0.05 0.03 0.05 0.01 0.01 -0.05 -0.03 -0.01 -0.02 0.01 0.05 -0.01 -0.04 -0.11 0.21 -0.02 -0.03 -0.12 0.01 -0.00 -0.01 -0.05 -0.07 0.05 0.00 0.01 0.00 0.03 0.05 0.02 -0.04 -0.02 0.05 -0.00 -0.01 -0.00 -0.04 -0.04 0.02 -0.01 0.00 0.10 -0.05 -0.02 -0.05 0.04 0.12 -0.17 -0.00 -0.02 -0.01 0.04 0.06 -0.10 0.03 -0.00 0.01 -0.01 -0.04 -0.07 0.04 0.11 0.06 -0.02 -0.07 0.11 0.03 0.04 -0.01 0.01 0.04 0.02 0.03 0.07 0.03 0.03 0.05 0.02 0.01 -0.03 -0.02 0.01 -0.03 -0.01 0.02 -0.08 0.09 -0.12 -0.08 -0.16 0.09 0.30 -0.47 0.01 -0.05 -0.02 0.01 -0.05 -0.02 0.03 0.00 0.00 0.10 0.23 -0.39 -0.01 -0.19 -0.24 -0.04 -0.13 0.20 -0.06 0.02 0.01 -0.02 -0.04 0.00 0.04 -0.02 -0.01 -0.02 0.03 0.05 -0.01 -0.06 0.03 -0.04 -0.07 0.14 -0.09 0.15 0.05 0.01 -0.08 0.11 -0.03 0.14 -0.16 -0.02 -0.01 -0.02 -0.03 -0.06 -0.03 -0.05 0.08 -0.06 0.01 0.00 0.00 -0.09 0.01 -0.06 0.25 0.02 -0.17 -0.12 -0.05 0.14 0.03 0.01 0.00 0.00 0.02 0.01 0.04 0.05 -0.12 -0.01 0.04 -0.03 0.20 -0.12 0.06 0.08 -0.10 0.04 0.04 0.02 -0.06 0.03 -0.19 -0.07 0.01 0.02 0.09 -0.05 -0.08 -0.06 -0.01 -0.03 -0.03 -0.01 0.03 0.01 -0.01 0.03 0.01 0.29 0.03 -0.12 -0.09 0.01 0.21 0.06 0.09 -0.16 -0.01 0.04 0.02 -0.01 0.05 0.02 -0.03 -0.01 -0.00 0.11 0.22 -0.41 0.11 -0.06 0.16 0.06 0.12 -0.23 0.02 -0.00 -0.00 0.01 0.02 -0.00 -0.02 0.01 0.01 0.01 -0.01 -0.02 0.00 0.01 -0.01 0.00 -0.02 0.02 0.03 -0.04 -0.00 -0.05 -0.14 0.25 0.02 -0.04 0.05 0.00 0.00 0.00 0.01 0.01 0.01 0.02 -0.03 0.02 -0.00 -0.00 -0.00 0.04 -0.01 0.02 -0.09 -0.01 0.06 0.05 0.02 -0.05 -0.02 -0.06 0.09 -0.00 -0.00 -0.00 0.02 0.11 -0.17 0.00 -0.02 0.01 -0.07 0.04 -0.02 -0.03 0.03 -0.02 0.02 0.11 -0.18 -0.02 0.05 0.02 -0.01 -0.01 -0.04 0.01 0.02 0.01 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.10 -0.01 0.05 0.05 0.01 -0.06 -0.04 -0.09 0.14 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 0.06 0.30 -0.50 -0.03 0.03 -0.04 0.08 0.32 -0.52 -0.00 -0.01 0.01 -0.08 -0.06 -0.02 0.11 -0.01 -0.02 0.00 -0.01 0.08 0.04 0.08 -0.09 0.00 0.10 -0.13 -0.04 -0.14 -0.20 0.03 -0.05 0.03 -0.16 -0.18 0.25 -0.01 0.09 0.08 0.05 0.09 0.04 -0.02 0.03 -0.06 -0.02 -0.00 0.00 -0.06 0.18 0.03 0.15 0.08 -0.04 -0.17 -0.04 0.04 0.02 -0.02 0.06 -0.00 -0.03 -0.01 0.03 -0.02 0.00 -0.02 0.06 -0.08 0.07 -0.11 0.01 0.01 0.02 0.07 0.04 0.02 -0.06 0.09 0.26 0.05 0.04 0.21 0.12 0.11 0.14 0.14 -0.03 0.02 0.07 -0.01 -0.04 -0.01 0.01 -0.03 0.00 0.11 0.04 -0.11 -0.22 -0.22 -0.10 0.00 -0.19 0.30 0.01 -0.07 -0.03 0.02 -0.07 -0.03 0.05 0.02 0.01 0.05 -0.07 0.09 -0.05 -0.23 -0.08 0.02 0.02 -0.09 0.09 -0.05 0.01 -0.11 -0.14 0.02 0.26 -0.03 -0.11 -0.05 0.07 0.18 -0.03 -0.01 0.03 0.05 -0.06 0.03 0.21 0.05 -0.00 -0.08 0.05 0.01 0.24 0.01 -0.04 0.03 -0.07 -0.05 -0.02 -0.02 -0.01 0.11 -0.05 0.05 0.01 -0.00 -0.00 -0.17 0.10 -0.15 -0.07 -0.12 0.10 -0.21 0.16 -0.04 -0.06 -0.02 -0.04 0.00 0.01 0.00 -0.05 0.04 0.01 -0.04 0.16 -0.15 -0.04 -0.05 0.10 -0.20 0.09 -0.04 -0.07 0.02 0.02 -0.19 0.06 0.08 -0.08 -0.25 -0.31 -0.04 -0.05 -0.06 0.02 0.00 -0.03 0.02 0.01 -0.00 -0.00 -0.01 -0.02 -0.15 0.01 0.09 -0.14 0.21 0.07 -0.10 0.08 -0.10 0.00 0.02 0.01 -0.01 0.02 0.00 -0.01 -0.01 -0.01 -0.13 0.07 -0.02 0.15 0.00 0.10 -0.02 0.05 0.03 0.01 0.00 -0.00 -0.10 -0.05 -0.06 0.08 -0.01 -0.02 0.00 0.03 0.06 0.02 -0.06 -0.00 -0.07 0.00 0.05 -0.01 -0.08 0.04 0.04 -0.02 -0.02 -0.12 0.22 -0.12 -0.04 0.17 0.11 -0.04 -0.09 -0.04 0.00 -0.12 -0.07 -0.00 0.00 -0.00 0.12 0.13 0.07 -0.05 -0.01 0.12 0.10 -0.01 -0.10 0.06 -0.03 0.01 0.00 0.02 0.01 -0.02 -0.06 -0.04 -0.01 0.04 -0.04 -0.06 -0.04 -0.01 -0.02 0.06 0.03 0.07 -0.04 0.01 0.22 -0.09 -0.05 0.07 0.34 0.43 0.03 -0.10 0.04 -0.12 -0.11 0.00 -0.08 0.01 0.05 0.02 0.07 0.07 -0.05 0.05 0.15 0.09 -0.22 -0.22 0.16 0.02 -0.24 -0.03 0.03 0.03 -0.00 0.07 0.05 -0.04 -0.03 -0.00 0.03 -0.06 -0.04 0.00 -0.09 -0.08 0.09 0.01 -0.08 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.02 0.03 -0.01 0.00 0.01 0.00 -0.01 0.02 -0.01 0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.02 0.00 -0.01 0.02 0.07 -0.11 0.00 0.00 0.00 -0.00 -0.02 0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.05 0.01 -0.02 -0.01 0.00 0.01 0.02 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 0.02 -0.00 -0.00 -0.11 -0.43 0.71 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 0.12 -0.20 0.01 -0.00 -0.00 -0.07 -0.24 0.39 -0.02 0.01 -0.00 -0.05 -0.06 -0.03 0.08 -0.01 -0.04 -0.04 0.14 0.08 0.01 0.01 -0.02 -0.03 0.03 -0.01 -0.11 -0.01 -0.05 0.03 -0.02 -0.01 -0.12 -0.05 0.02 -0.03 -0.00 0.00 0.02 0.04 0.01 0.04 0.16 0.21 -0.01 0.01 -0.01 0.02 -0.20 -0.16 -0.05 -0.08 0.05 0.18 0.01 -0.01 0.02 0.01 0.03 -0.00 -0.01 -0.01 0.03 -0.01 -0.01 -0.01 0.03 -0.04 0.03 0.08 0.07 0.02 -0.10 -0.07 0.02 -0.01 0.01 0.07 -0.06 -0.05 0.02 0.09 0.12 0.07 0.03 0.05 -0.03 0.03 0.04 -0.07 -0.05 0.02 0.07 -0.01 0.05 -0.17 -0.53 -0.31 0.31 0.20 0.22 0.07 0.06 -0.09 -0.01 -0.07 -0.01 0.02 -0.00 0.02 0.02 0.01 0.02 0.06 -0.04 0.04 0.02 -0.09 -0.11 0.00 0.01 -0.08 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.02 0.03 -0.01 -0.01 0.00 -0.01 -0.03 0.07 0.01 -0.00 0.00 -0.00 -0.01 0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.01 0.02 -0.01 -0.28 0.14 -0.15 0.31 -0.00 -0.15 0.46 0.21 -0.17 -0.43 0.03 -0.32 0.01 -0.01 0.02 0.02 -0.01 -0.01 0.01 0.00 -0.01 0.13 0.26 -0.01 -0.11 -0.15 -0.21 0.01 0.05 -0.10 0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.03 0.02 -0.01 -0.11 -0.04 -0.07 0.08 0.01 -0.05 -0.02 0.07 0.06 -0.02 0.03 0.01 0.02 -0.00 -0.02 -0.09 0.16 0.04 0.01 0.01 0.01 0.02 -0.09 0.06 0.03 -0.13 -0.08 0.02 0.05 0.02 -0.12 -0.10 -0.04 0.00 0.01 -0.02 0.08 0.00 0.13 -0.05 -0.05 0.03 0.11 -0.08 -0.00 -0.02 0.02 0.01 -0.00 -0.01 -0.01 0.03 0.03 0.01 0.01 0.02 -0.01 -0.00 -0.03 -0.11 0.13 0.00 0.05 -0.03 0.01 0.01 -0.11 -0.04 -0.00 -0.03 -0.23 -0.24 0.04 0.01 0.00 -0.00 0.07 0.04 -0.08 -0.07 0.02 0.11 -0.05 0.05 0.25 0.30 0.52 0.05 -0.16 -0.11 -0.05 0.06 0.01 -0.02 -0.09 -0.02 0.04 0.01 0.04 0.02 0.01 0.03 0.01 -0.00 0.06 0.12 0.27 0.18 -0.04 0.02 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.03 0.05 -0.00 -0.00 0.00 -0.01 -0.02 0.04 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 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 0.02 0.09 -0.15 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.03 0.00 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.04 0.06 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.12 -0.47 0.79 -0.00 -0.01 -0.01 -0.04 -0.16 0.27 -0.02 0.01 0.00 -0.04 -0.01 -0.03 0.03 0.01 -0.03 -0.01 0.03 0.02 -0.00 0.00 0.01 0.03 -0.01 0.00 0.06 -0.01 0.01 -0.02 0.01 0.00 0.07 0.02 -0.01 0.03 0.02 0.01 -0.02 -0.02 -0.01 -0.06 -0.10 -0.06 0.01 -0.00 -0.00 -0.01 -0.02 0.08 0.01 0.10 0.05 -0.04 -0.06 0.08 -0.02 -0.02 -0.01 0.01 -0.00 0.00 -0.01 0.01 0.01 0.01 -0.01 0.01 0.01 0.16 -0.03 0.09 -0.08 -0.03 -0.02 0.00 -0.00 -0.05 0.09 0.06 -0.01 -0.04 -0.10 -0.01 -0.03 -0.00 -0.03 -0.02 -0.01 -0.00 0.02 0.01 0.00 0.01 0.00 -0.13 -0.46 -0.39 -0.12 -0.02 0.02 -0.04 0.01 -0.00 -0.01 0.03 0.01 -0.01 0.02 0.01 -0.03 -0.03 -0.02 -0.03 0.03 -0.01 -0.29 -0.34 -0.50 0.01 0.01 0.01 0.02 -0.01 0.00 0.02 0.01 0.02 -0.03 -0.01 0.03 0.01 -0.04 -0.02 -0.01 0.00 -0.01 -0.02 0.00 -0.02 -0.11 0.16 0.05 0.04 -0.00 0.01 -0.04 -0.03 0.05 0.00 -0.10 -0.07 0.03 0.04 0.02 -0.03 -0.09 -0.13 -0.01 0.01 -0.01 0.05 0.09 -0.03 0.06 0.03 0.10 0.07 0.07 -0.12 -0.00 0.02 0.01 -0.01 0.01 -0.00 0.02 -0.01 -0.00 -0.01 0.02 -0.01 0.06 -0.08 0.18 -0.13 0.03 -0.03 -0.00 0.01 0.01 -0.05 -0.11 -0.05 -0.01 -0.13 -0.10 -0.00 0.02 -0.02 0.07 0.05 0.00 -0.01 -0.06 -0.02 0.02 -0.03 0.00 -0.20 -0.32 -0.34 0.15 -0.04 -0.10 0.01 0.00 0.02 0.00 -0.08 -0.02 0.03 -0.02 0.01 0.05 0.05 0.05 0.02 -0.01 -0.00 0.00 -0.56 -0.33 -0.03 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 -0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.05 0.08 -0.01 0.01 0.01 -0.01 -0.02 0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.08 -0.13 -0.01 -0.00 0.01 -0.01 -0.01 0.00 0.03 0.00 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.03 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.06 0.25 -0.40 0.02 -0.02 -0.01 0.01 -0.04 -0.02 0.04 0.06 0.03 0.03 0.11 -0.19 -0.00 -0.01 -0.01 -0.11 -0.42 0.70 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.05 -0.06 0.01 0.00 0.01 0.02 -0.00 0.01 -0.02 -0.00 -0.01 0.02 0.03 -0.03 -0.04 -0.03 0.04 0.18 -0.00 0.01 0.01 -0.01 0.00 -0.13 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 -0.02 -0.07 0.10 0.04 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.02 0.01 -0.01 -0.04 0.02 -0.04 -0.03 0.06 0.18 -0.02 -0.00 0.17 -0.10 -0.02 -0.05 -0.20 -0.10 -0.09 -0.15 -0.08 0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.01 -0.03 0.07 0.13 -0.24 -0.14 0.13 -0.25 -0.05 0.38 0.57 0.29 -0.01 -0.02 0.05 -0.02 0.01 -0.01 0.04 0.06 -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.02 0.00 -0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.01 0.01 -0.02 -0.03 -0.03 0.04 0.01 0.08 -0.07 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.04 0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.03 0.05 -0.04 -0.06 0.01 0.35 -0.06 0.18 -0.37 0.01 0.14 -0.05 0.35 0.13 0.07 -0.31 -0.15 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.15 0.37 0.03 -0.15 -0.28 -0.29 0.00 0.06 -0.20 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.00 -0.02 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 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 0.04 0.01 0.02 0.02 -0.05 -0.12 -0.11 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.02 0.02 -0.01 -0.01 -0.01 0.02 0.04 0.04 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.08 -0.08 0.28 0.67 0.64 -0.00 0.00 -0.00 -0.00 -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 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.13 -0.08 0.01 -0.03 -0.01 0.41 0.08 0.12 0.00 0.01 -0.02 0.00 0.04 0.03 0.02 -0.02 -0.01 0.01 0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.24 -0.04 -0.06 -0.01 0.02 0.01 0.09 -0.16 -0.09 0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.01 -0.00 0.00 -0.18 0.27 0.13 -0.02 0.06 0.04 -0.00 0.04 -0.01 0.01 -0.02 -0.01 0.03 -0.04 -0.02 -0.00 -0.04 -0.02 -0.02 -0.00 -0.01 0.01 0.02 0.01 -0.02 0.00 0.01 0.01 -0.31 -0.19 0.01 -0.04 -0.02 0.02 -0.02 0.01 0.05 0.08 0.05 -0.31 -0.11 -0.11 -0.00 0.05 0.03 -0.50 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 -0.03 0.09 0.20 0.00 -0.00 -0.02 -0.05 -0.02 -0.04 -0.01 -0.00 -0.00 -0.02 -0.08 0.03 0.17 0.15 -0.12 -0.02 -0.22 -0.13 -0.03 0.02 0.00 -0.05 -0.04 -0.04 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.03 0.01 -0.02 0.00 0.01 0.01 -0.03 0.08 0.08 0.02 0.02 0.02 0.00 -0.00 -0.00 0.01 -0.03 0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.22 -0.01 0.12 0.10 -0.24 0.13 -0.45 -0.15 -0.10 -0.09 -0.02 -0.17 0.05 0.04 0.04 -0.25 -0.11 -0.00 -0.03 -0.01 0.04 -0.00 -0.02 -0.01 0.03 0.01 0.16 0.16 -0.01 -0.01 -0.19 -0.13 0.18 0.36 0.06 0.07 0.04 -0.01 0.05 0.00 0.05 -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 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.02 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.03 0.08 0.08 0.01 0.02 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.04 -0.08 -0.08 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.01 -0.02 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.19 -0.46 -0.45 -0.04 -0.09 -0.09 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.20 0.48 0.47 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.03 0.05 -0.13 0.06 0.00 0.13 0.02 -0.00 0.06 -0.06 -0.03 -0.04 0.08 0.15 0.02 -0.08 -0.20 0.01 0.03 0.01 0.07 -0.02 0.00 0.01 0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.00 0.01 -0.06 -0.02 0.05 0.11 0.22 0.15 -0.01 -0.00 0.02 -0.20 -0.20 -0.16 -0.01 -0.00 0.00 -0.02 0.05 -0.05 0.02 -0.01 -0.00 0.10 0.02 0.03 0.09 -0.34 -0.27 0.04 -0.15 0.04 0.02 -0.14 -0.09 -0.01 0.11 0.05 -0.06 0.05 0.03 0.09 -0.13 -0.03 -0.03 -0.03 -0.03 -0.09 -0.00 0.05 0.24 0.12 0.10 0.05 0.06 -0.00 -0.03 -0.08 -0.07 0.02 0.05 -0.03 -0.27 -0.21 -0.18 -0.02 0.09 -0.02 -0.23 -0.14 -0.11 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.00 0.01 0.00 0.00 0.05 -0.05 -0.02 -0.02 -0.01 -0.04 -0.04 0.00 0.02 -0.01 -0.01 0.03 -0.01 -0.11 0.09 -0.03 0.17 -0.02 -0.02 -0.02 -0.04 0.01 0.01 -0.00 -0.05 -0.01 -0.00 -0.02 0.02 0.02 0.01 -0.02 0.03 0.02 -0.03 0.05 0.13 0.09 0.02 0.04 0.00 -0.07 -0.06 -0.04 0.00 -0.02 0.02 0.00 -0.03 0.03 -0.02 0.01 0.00 0.03 -0.02 -0.00 -0.33 0.34 0.42 -0.05 -0.10 -0.47 -0.02 0.13 0.09 -0.03 -0.09 -0.04 0.05 -0.11 -0.06 -0.06 -0.00 -0.02 0.02 0.03 -0.02 0.03 0.02 -0.03 -0.03 0.23 0.14 -0.02 -0.00 0.02 0.04 0.11 0.08 -0.00 -0.01 0.04 -0.21 -0.04 -0.06 -0.02 -0.03 0.03 -0.16 -0.10 -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 -0.04 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.03 0.06 0.04 0.00 0.09 -0.05 -0.01 -0.01 0.00 0.00 0.02 0.27 0.13 -0.00 -0.01 0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.03 0.02 -0.13 -0.18 -0.10 -0.02 -0.01 -0.01 0.01 0.00 0.02 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.07 0.13 0.08 0.04 0.06 -0.16 0.12 -0.19 -0.08 0.15 -0.14 -0.07 -0.03 0.40 0.19 -0.03 0.39 0.17 0.00 0.01 -0.01 0.00 0.01 -0.02 -0.03 0.08 0.04 -0.08 -0.35 -0.16 -0.06 -0.31 -0.13 -0.00 -0.06 -0.01 -0.05 -0.00 -0.02 -0.01 -0.01 0.01 -0.04 -0.02 -0.02 0.00 -0.00 0.00 -0.17 -0.08 -0.15 -0.02 -0.04 -0.04 0.03 -0.20 -0.11 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 0.02 -0.00 -0.02 -0.01 -0.04 -0.11 -0.09 0.01 0.01 0.01 0.01 0.05 0.04 0.00 0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 0.28 0.58 0.55 -0.00 -0.01 -0.01 -0.02 0.01 -0.00 0.00 0.00 0.00 0.02 -0.00 -0.02 -0.00 0.00 0.03 -0.01 0.01 0.00 -0.01 0.02 0.01 0.00 -0.02 -0.01 0.00 -0.03 -0.01 -0.02 -0.05 -0.06 -0.11 -0.24 -0.23 0.00 0.00 -0.00 0.01 0.02 0.01 0.00 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.05 0.05 -0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.05 0.00 -0.06 0.10 0.06 -0.11 -0.02 0.09 0.01 0.00 -0.02 0.01 0.04 -0.01 0.00 0.06 -0.01 -0.01 0.01 0.01 0.01 0.01 0.01 0.04 -0.05 0.02 -0.06 0.00 0.01 0.01 -0.05 -0.00 0.03 -0.00 -0.01 -0.01 -0.01 -0.21 0.22 0.14 0.12 -0.18 0.05 0.09 -0.11 -0.02 -0.02 -0.02 0.01 0.01 0.01 -0.03 -0.01 -0.01 -0.04 -0.22 0.23 -0.03 -0.09 0.11 -0.17 0.08 -0.01 0.00 0.00 0.00 0.16 -0.12 -0.18 0.00 0.02 0.24 -0.01 -0.02 -0.02 0.00 0.05 0.02 -0.02 -0.01 -0.00 0.02 -0.03 -0.01 0.00 0.27 -0.27 -0.15 0.26 -0.22 -0.13 0.09 0.03 0.01 0.04 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.07 -0.01 -0.01 -0.29 -0.08 0.20 0.08 0.04 0.04 0.01 -0.01 0.00 -0.07 -0.00 -0.03 -0.09 -0.02 0.06 -0.04 0.07 0.03 -0.01 -0.03 0.01 0.07 -0.03 -0.01 -0.01 0.01 -0.00 0.06 0.06 0.04 0.01 -0.02 0.00 -0.03 0.05 -0.02 0.01 0.02 0.01 -0.03 0.01 -0.01 -0.00 -0.01 -0.01 0.04 -0.01 -0.01 0.01 -0.01 0.01 -0.05 -0.01 0.03 -0.04 0.01 0.00 0.01 0.00 0.01 -0.05 -0.01 -0.01 0.37 -0.09 -0.10 0.03 0.01 -0.02 -0.10 0.05 -0.01 0.03 -0.08 -0.04 0.10 -0.01 -0.09 0.01 0.05 0.17 -0.00 -0.01 -0.01 -0.00 0.03 0.02 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.06 -0.07 0.04 0.02 -0.08 0.08 -0.49 0.48 0.21 0.00 0.03 0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.28 0.03 -0.03 0.25 0.01 -0.11 0.10 -0.05 -0.01 0.01 -0.00 0.00 -0.04 -0.00 -0.02 -0.03 -0.00 0.02 -0.02 0.04 0.01 -0.00 0.02 -0.01 -0.07 0.04 0.01 0.01 -0.01 -0.00 -0.07 -0.07 -0.05 -0.01 0.03 0.01 0.04 -0.05 0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.01 0.01 0.02 -0.03 0.02 0.02 0.01 -0.02 -0.03 0.00 0.01 0.04 -0.02 -0.00 -0.01 -0.00 -0.01 0.06 0.01 0.01 0.17 -0.07 -0.02 0.00 0.01 -0.01 -0.07 0.03 -0.01 -0.03 0.09 0.05 -0.12 0.02 0.11 -0.01 -0.07 -0.21 0.00 0.01 0.01 -0.00 -0.02 -0.02 0.01 0.00 0.00 0.00 0.00 -0.00 0.03 0.00 -0.01 -0.02 -0.01 0.02 0.57 -0.56 -0.25 -0.00 -0.03 -0.01 0.01 -0.01 0.00 0.01 0.01 0.01 0.33 -0.03 0.03 0.08 0.01 -0.04 -0.11 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 0.20 0.34 -0.01 0.01 0.01 0.01 0.03 0.04 0.02 0.02 0.01 0.01 0.00 -0.01 0.05 -0.22 -0.21 0.10 -0.02 -0.27 -0.18 0.03 -0.01 -0.00 -0.01 0.05 0.04 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.02 -0.01 0.02 -0.01 -0.01 -0.00 -0.04 -0.01 -0.03 -0.03 -0.02 -0.02 0.01 -0.00 0.01 -0.01 0.02 -0.02 -0.03 0.01 -0.00 0.01 -0.01 -0.01 0.02 -0.48 -0.08 -0.10 -0.05 0.32 0.05 0.05 0.09 0.03 -0.26 -0.19 -0.06 0.17 0.08 -0.14 0.22 0.04 0.02 -0.02 0.00 0.00 -0.04 0.04 -0.09 0.08 0.03 -0.04 -0.10 -0.04 0.02 -0.01 0.03 0.02 0.04 0.06 -0.08 -0.02 -0.02 0.03 0.02 -0.04 0.04 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.03 -0.01 -0.00 -0.01 -0.00 -0.06 -0.11 -0.07 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.02 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 -0.01 -0.07 0.03 0.00 0.01 -0.00 -0.00 0.01 -0.08 -0.05 0.01 0.01 -0.01 0.00 -0.01 0.01 0.03 -0.01 -0.00 0.06 0.17 0.11 0.00 0.01 0.01 -0.01 0.00 -0.01 0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.02 0.01 0.00 -0.03 0.01 -0.00 -0.01 0.03 -0.02 -0.28 0.25 0.11 -0.01 0.01 0.01 -0.00 0.02 0.01 -0.01 -0.02 -0.01 0.16 -0.12 -0.04 -0.00 -0.01 0.02 0.62 0.44 0.36 -0.02 0.01 0.00 -0.02 -0.00 -0.00 -0.02 -0.01 0.02 -0.01 0.01 0.01 0.01 0.01 0.00 0.01 0.00 0.00 0.02 -0.01 0.00 -0.00 0.01 0.00 0.02 -0.00 0.01 -0.02 -0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.02 -0.02 -0.02 0.00 -0.00 -0.03 0.01 0.01 -0.10 0.02 0.03 -0.01 0.08 -0.07 0.02 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.10 -0.02 -0.03 0.02 -0.11 0.10 0.23 -0.06 -0.03 -0.01 -0.01 -0.01 0.04 -0.03 -0.04 -0.01 -0.01 0.07 0.01 0.00 0.00 0.02 -0.00 -0.00 -0.03 0.03 0.01 -0.03 0.03 0.01 -0.45 0.34 -0.16 -0.38 0.43 -0.29 0.09 -0.07 -0.02 -0.01 0.03 0.02 -0.01 0.03 0.01 -0.02 -0.03 -0.02 -0.05 0.01 -0.00 -0.11 -0.11 0.17 -0.13 -0.06 -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 0.03 -0.00 -0.00 -0.01 0.02 0.01 0.01 -0.01 -0.00 0.01 0.01 0.01 -0.02 0.03 0.01 0.01 -0.02 0.00 -0.18 0.04 -0.01 0.00 0.00 0.00 0.21 0.01 0.04 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.01 -0.02 -0.02 -0.01 -0.12 0.02 -0.01 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 0.01 0.02 -0.01 -0.00 0.01 -0.01 -0.01 -0.02 -0.02 0.02 0.01 0.01 -0.05 -0.15 0.04 0.02 -0.18 -0.03 -0.03 0.32 -0.26 -0.09 0.23 -0.20 -0.09 -0.05 0.04 -0.02 -0.04 0.05 -0.03 -0.09 0.05 0.01 0.10 -0.33 -0.21 0.12 -0.34 -0.07 0.23 0.37 0.20 0.01 -0.00 -0.00 -0.02 -0.01 0.02 0.11 0.03 0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.04 0.02 -0.01 -0.10 0.11 0.05 0.03 -0.04 -0.02 0.08 0.05 0.05 -0.11 0.14 0.06 0.12 -0.11 -0.01 0.04 -0.01 0.01 0.03 0.00 0.01 -0.04 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.00 -0.07 -0.11 -0.08 0.03 -0.01 0.00 0.02 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.02 -0.00 -0.00 0.04 -0.10 -0.05 -0.32 -0.19 0.21 0.06 -0.05 -0.48 0.03 -0.02 -0.02 0.06 -0.01 -0.01 -0.08 0.06 0.02 -0.03 0.01 0.01 -0.07 0.08 -0.03 -0.07 0.06 -0.03 -0.31 0.11 0.02 -0.02 0.07 0.04 -0.03 0.07 0.01 -0.05 -0.08 -0.05 0.16 -0.01 0.01 -0.04 0.00 0.02 0.46 0.08 0.12 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.01 -0.02 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.05 0.03 -0.05 0.00 -0.00 0.00 0.03 -0.02 0.01 -0.07 0.01 0.02 -0.04 -0.05 0.06 -0.00 0.01 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.05 -0.04 0.07 0.06 -0.01 -0.02 -0.02 0.02 -0.02 0.00 0.00 0.00 -0.00 0.02 0.01 0.00 0.02 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.42 0.35 -0.17 -0.04 -0.05 0.07 -0.02 0.02 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.02 0.00 0.01 0.74 -0.03 -0.28 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.03 0.06 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 0.02 0.02 -0.04 0.02 0.07 -0.14 0.01 -0.00 -0.00 -0.03 -0.07 0.15 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.04 -0.10 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.17 -0.02 0.02 0.00 0.00 0.34 0.10 0.21 -0.32 -0.25 -0.03 0.33 0.07 -0.05 -0.35 -0.00 -0.14 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.19 -0.27 -0.03 0.16 0.25 0.22 -0.03 -0.12 0.18 0.01 0.00 -0.00 -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.16 -0.06 -0.06 -0.10 0.10 0.02 0.00 0.03 0.02 -0.01 -0.10 -0.06 -0.02 0.04 0.02 -0.00 -0.00 0.00 0.29 -0.13 0.01 0.00 -0.00 -0.00 0.08 -0.03 -0.01 0.05 -0.03 0.01 -0.11 0.02 0.03 -0.00 0.06 0.03 -0.00 -0.00 0.00 0.08 0.02 0.03 0.02 -0.03 0.02 -0.05 0.06 -0.04 0.00 -0.00 0.00 0.03 -0.03 -0.01 0.08 0.19 -0.01 -0.02 0.04 0.04 -0.00 0.01 0.00 -0.00 0.02 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.03 0.08 -0.04 -0.38 0.27 -0.12 -0.13 0.19 0.09 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.39 -0.03 0.05 -0.49 0.08 0.12 0.10 0.00 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.03 -0.00 0.01 -0.07 0.04 0.02 0.01 -0.02 -0.00 0.02 0.03 0.02 0.03 0.01 -0.02 -0.03 -0.01 -0.01 0.00 -0.01 0.01 -0.04 -0.00 0.02 -0.00 -0.01 0.03 -0.01 -0.01 0.02 -0.01 0.02 -0.02 0.02 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.03 0.00 -0.03 -0.02 -0.00 0.02 -0.03 0.01 -0.01 0.00 -0.01 -0.00 0.01 0.01 -0.03 -0.02 0.28 0.60 -0.10 -0.18 -0.51 0.14 0.01 -0.11 -0.06 0.00 0.16 0.07 0.01 0.16 0.06 -0.02 -0.13 -0.08 -0.03 0.04 -0.03 0.07 -0.04 0.02 -0.01 -0.01 -0.01 -0.06 -0.09 -0.02 0.05 0.07 0.06 -0.00 -0.03 0.06 0.21 -0.06 -0.01 0.08 -0.01 -0.02 0.12 0.02 0.03 -0.00 0.00 0.00 -0.02 0.01 -0.03 0.03 0.03 -0.05 -0.01 0.04 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.02 0.02 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.01 0.01 0.03 0.18 -0.20 -0.00 -0.00 0.01 -0.06 0.14 -0.12 -0.01 -0.13 0.14 -0.02 -0.04 0.05 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.02 -0.23 0.24 -0.08 -0.03 0.06 0.10 0.05 -0.09 -0.00 -0.00 -0.00 0.09 0.25 -0.02 -0.07 -0.20 0.03 -0.01 -0.04 -0.03 0.01 0.08 0.03 -0.00 0.08 0.03 -0.00 -0.06 -0.03 0.36 -0.51 0.36 -0.02 -0.05 0.05 0.01 -0.02 -0.01 -0.02 -0.03 -0.01 0.02 0.03 0.02 -0.00 -0.01 0.02 0.01 -0.00 0.00 -0.16 -0.03 0.10 0.02 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.04 0.05 -0.01 0.00 -0.02 0.01 0.00 0.00 -0.04 -0.02 -0.04 0.02 0.00 0.01 -0.01 0.02 -0.00 -0.03 0.06 0.03 -0.02 0.01 0.02 -0.06 0.02 0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.04 -0.07 -0.00 0.03 0.02 -0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.01 0.01 -0.05 -0.05 0.04 0.05 0.15 -0.05 -0.09 -0.21 -0.16 0.04 0.36 0.16 -0.07 0.56 0.22 0.03 -0.31 -0.15 -0.01 0.02 -0.01 -0.07 0.05 -0.02 0.03 -0.03 -0.01 -0.09 -0.18 -0.06 0.14 0.10 0.13 0.02 0.00 0.15 -0.29 0.08 0.00 -0.03 0.01 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.03 -0.05 -0.03 0.03 -0.00 -0.00 -0.03 0.04 0.02 0.01 0.01 0.01 -0.00 0.01 0.01 0.00 -0.01 0.02 -0.03 -0.01 0.02 0.01 -0.02 -0.00 -0.07 0.02 0.00 0.01 -0.01 0.00 0.02 -0.00 -0.01 0.03 -0.02 -0.01 -0.01 0.01 -0.02 -0.01 -0.01 -0.01 0.02 -0.02 0.01 0.01 -0.01 0.00 0.03 0.02 -0.03 0.03 0.04 0.03 -0.04 -0.19 0.01 0.03 0.14 -0.07 -0.05 0.01 -0.01 0.01 0.07 0.03 -0.04 0.19 0.08 0.02 -0.06 -0.03 -0.15 0.14 -0.09 0.30 -0.26 0.15 -0.20 0.22 0.10 -0.01 -0.04 -0.02 0.04 0.02 0.03 0.01 0.02 0.04 0.60 -0.11 0.03 -0.10 -0.00 0.04 -0.33 -0.13 -0.13 -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 0.01 0.00 0.00 0.00 -0.02 0.02 -0.01 0.02 -0.03 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 0.03 -0.06 0.05 -0.01 0.01 0.00 -0.07 0.04 -0.01 0.02 -0.02 0.01 -0.01 0.01 -0.01 -0.02 0.03 0.01 0.00 -0.00 0.01 0.02 0.02 0.02 0.03 -0.04 0.03 0.02 0.01 -0.02 0.04 0.03 -0.04 -0.01 -0.03 -0.02 0.02 0.08 -0.01 -0.01 -0.05 0.04 0.02 -0.03 -0.00 -0.01 -0.02 -0.01 0.02 -0.08 -0.03 -0.01 0.03 0.01 -0.30 0.30 -0.17 0.42 -0.40 0.24 0.12 -0.12 -0.05 0.00 0.02 0.01 -0.02 -0.01 -0.01 -0.01 -0.01 -0.02 -0.38 0.09 -0.00 -0.29 0.02 0.10 0.22 0.08 0.08 0.00 -0.00 -0.00 0.01 -0.01 0.02 -0.02 -0.01 0.02 0.00 -0.03 0.00 -0.01 -0.01 -0.00 -0.06 0.01 -0.01 0.01 0.01 0.01 0.01 0.03 0.02 0.05 -0.05 -0.01 -0.01 0.03 0.01 0.01 -0.01 0.01 0.06 0.14 -0.18 0.02 -0.03 -0.02 -0.19 -0.15 0.24 0.16 -0.12 0.06 0.16 -0.18 0.11 -0.03 0.06 0.03 -0.02 0.01 -0.01 0.04 -0.02 -0.01 0.01 0.17 -0.18 -0.19 -0.01 0.09 0.02 0.20 -0.21 -0.03 -0.06 -0.04 -0.04 -0.16 0.01 0.04 0.17 0.00 -0.08 0.18 0.07 0.02 -0.02 -0.00 -0.08 0.25 0.10 0.03 0.02 0.02 -0.14 0.17 -0.11 -0.14 0.10 -0.06 0.18 -0.14 -0.06 0.02 -0.03 -0.03 0.04 -0.00 0.03 0.03 0.05 0.03 -0.10 -0.00 -0.01 0.07 -0.02 -0.01 0.35 0.11 0.13 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.02 -0.04 0.01 -0.00 0.02 0.00 0.00 0.00 0.04 0.02 0.05 -0.04 -0.01 -0.00 0.04 -0.01 0.01 -0.01 0.02 -0.04 -0.01 0.02 0.03 -0.05 -0.06 0.01 0.02 -0.03 -0.03 0.03 -0.01 -0.01 0.03 -0.02 -0.02 0.05 0.03 -0.03 0.02 -0.01 0.03 -0.03 -0.01 -0.00 -0.03 0.03 0.03 -0.01 -0.01 -0.00 -0.03 0.03 -0.03 -0.05 -0.04 -0.04 -0.16 -0.01 0.01 0.04 0.04 -0.16 0.53 0.23 0.09 -0.29 -0.13 -0.20 0.45 0.20 0.09 0.01 0.04 0.06 -0.07 0.04 0.05 -0.03 0.01 0.14 -0.11 -0.04 0.04 -0.04 -0.06 0.06 -0.01 0.05 0.05 0.09 0.03 0.03 -0.03 -0.02 0.04 -0.01 -0.01 0.26 0.08 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 0.00 -0.01 0.07 0.16 0.11 -0.06 0.03 0.01 0.00 0.06 0.04 0.07 -0.11 -0.06 -0.01 -0.01 0.02 0.02 -0.01 -0.02 0.03 -0.03 0.00 0.03 -0.06 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.02 0.01 0.00 0.02 -0.05 -0.03 -0.03 0.00 0.01 -0.08 -0.13 -0.09 0.00 -0.01 0.01 0.01 0.01 -0.01 0.00 0.00 -0.00 -0.06 -0.00 -0.01 0.03 0.02 0.00 0.12 0.41 -0.06 0.06 -0.11 -0.06 -0.16 0.45 0.23 0.07 -0.01 -0.01 -0.17 0.42 0.16 -0.04 0.03 -0.02 0.04 -0.05 0.03 0.08 -0.12 -0.06 0.06 0.04 -0.02 0.02 -0.06 0.01 0.04 0.08 0.04 0.17 -0.19 -0.09 -0.09 0.01 0.03 0.09 0.07 0.06 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.04 -0.10 -0.10 -0.08 0.07 -0.01 0.01 -0.01 0.03 0.02 0.04 0.01 0.02 -0.02 -0.01 0.01 0.01 -0.00 -0.02 -0.07 0.02 0.00 0.01 -0.03 0.03 -0.01 0.01 -0.01 -0.03 0.03 -0.01 0.01 0.02 -0.02 -0.03 0.11 0.06 -0.01 -0.00 0.01 0.09 0.02 0.03 -0.00 -0.01 0.01 0.02 -0.01 0.01 0.00 -0.03 0.03 -0.01 -0.07 -0.04 -0.04 -0.20 -0.00 0.06 0.24 -0.02 0.10 -0.35 -0.18 -0.15 0.48 0.24 0.13 -0.16 -0.08 -0.16 0.28 0.10 0.11 -0.12 0.06 0.04 -0.00 -0.01 0.14 -0.07 -0.02 0.02 0.04 0.00 0.00 -0.04 -0.01 0.01 0.02 0.02 0.04 0.03 0.03 0.15 -0.02 -0.04 0.29 0.07 0.09 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.00 -0.03 -0.02 0.01 -0.01 -0.00 0.01 -0.05 -0.03 -0.05 0.05 0.02 0.01 -0.03 -0.03 0.04 -0.01 -0.04 0.01 0.00 0.00 0.05 -0.09 -0.04 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.02 -0.01 -0.05 -0.00 0.03 -0.00 0.06 0.04 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.04 0.03 0.02 0.05 0.21 -0.02 -0.05 -0.22 0.01 -0.01 0.29 0.14 -0.13 0.22 0.13 -0.04 0.18 0.08 -0.17 0.62 0.27 -0.02 0.02 -0.01 -0.03 0.02 -0.01 -0.11 0.08 0.03 0.13 0.06 -0.06 0.04 -0.10 0.03 0.08 0.16 0.03 -0.12 0.09 0.03 -0.01 0.00 0.00 -0.16 -0.06 -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 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.04 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 -0.03 -0.12 -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 0.01 0.01 -0.01 0.01 0.04 -0.01 -0.06 0.10 0.02 -0.05 0.05 0.05 0.03 -0.08 -0.03 0.05 -0.11 -0.05 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 0.55 0.06 -0.00 0.42 0.38 0.39 0.35 0.19 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.02 0.02 -0.05 0.02 0.00 0.02 0.01 0.01 0.02 -0.03 -0.02 0.02 -0.02 -0.01 -0.01 -0.04 -0.01 0.05 -0.09 -0.04 -0.01 -0.00 0.00 -0.01 0.07 0.03 -0.02 0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.03 0.02 0.00 -0.01 0.03 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.01 0.03 0.01 0.01 0.11 0.17 -0.05 0.11 0.34 -0.05 -0.17 0.55 0.20 -0.15 0.36 0.22 0.02 -0.19 -0.05 0.06 -0.27 -0.15 0.03 -0.02 0.01 0.02 -0.00 -0.01 -0.04 0.02 0.00 -0.08 -0.13 0.03 -0.06 -0.04 -0.12 -0.08 -0.11 -0.05 -0.07 0.05 0.02 0.06 -0.00 -0.02 -0.03 -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 -0.01 -0.01 -0.01 0.16 -0.09 -0.03 -0.03 -0.02 -0.01 -0.08 0.10 0.05 -0.11 0.09 0.04 0.03 0.04 -0.01 0.04 -0.08 -0.03 0.01 0.01 0.00 0.00 0.05 0.02 0.07 -0.02 -0.01 0.00 -0.02 0.02 -0.03 -0.01 0.03 0.02 0.05 0.03 0.01 0.00 0.00 0.04 -0.09 -0.05 -0.02 0.01 -0.01 0.03 -0.00 -0.01 -0.02 0.04 -0.03 -0.10 -0.02 -0.03 -0.09 -0.14 0.03 -0.15 -0.48 -0.03 -0.16 0.37 0.09 -0.18 0.34 0.23 0.02 -0.15 -0.03 0.01 -0.10 -0.07 -0.10 0.08 -0.03 -0.07 0.02 0.01 0.15 -0.07 -0.02 -0.04 -0.07 0.02 -0.04 -0.03 -0.07 -0.04 -0.05 -0.03 0.16 -0.12 -0.05 -0.20 0.01 0.08 0.09 0.08 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 0.00 0.04 0.07 -0.06 -0.02 0.02 -0.01 0.00 -0.04 0.05 0.02 -0.06 0.08 0.01 -0.03 -0.15 -0.03 -0.02 0.04 -0.00 -0.01 0.00 0.01 -0.00 -0.02 -0.01 0.01 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.01 0.01 0.00 0.03 0.02 -0.00 0.00 0.00 0.03 -0.03 -0.02 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.03 -0.01 -0.01 0.25 0.58 -0.09 0.20 0.58 -0.12 0.13 -0.03 0.09 0.14 -0.21 -0.17 -0.02 0.07 0.02 0.01 0.01 0.02 -0.03 0.04 -0.02 -0.04 0.03 -0.02 0.07 -0.03 -0.01 0.01 0.00 -0.01 0.01 0.01 0.01 0.01 0.01 -0.01 0.08 -0.05 -0.01 -0.01 0.01 -0.00 0.03 0.02 0.02 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 -0.06 0.02 -0.00 0.03 -0.03 0.02 0.02 -0.03 -0.01 0.05 -0.02 -0.01 -0.01 -0.02 0.00 -0.00 0.01 0.00 -0.08 0.09 -0.07 -0.00 -0.00 -0.00 0.23 -0.14 0.04 -0.15 0.03 0.04 -0.14 -0.01 0.06 -0.02 -0.01 -0.01 0.00 0.00 -0.00 -0.01 0.03 0.02 -0.06 0.06 -0.04 0.21 -0.09 0.00 -0.02 0.15 -0.15 0.04 0.00 0.01 0.04 0.06 -0.01 0.06 0.20 0.01 0.03 -0.03 0.01 0.03 -0.04 -0.03 -0.00 0.01 0.00 0.01 -0.01 -0.00 -0.02 -0.13 0.13 0.08 -0.24 0.22 -0.04 0.01 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.02 0.04 0.02 -0.64 -0.07 0.35 -0.02 -0.03 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 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 0.02 0.00 0.00 -0.00 0.00 0.00 -0.05 -0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.03 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 0.01 0.01 0.01 0.02 -0.16 0.01 -0.17 -0.20 -0.12 0.08 0.40 0.25 -0.20 0.35 -0.00 0.37 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.31 -0.14 0.17 -0.31 0.11 -0.23 0.15 0.16 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 0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.01 -0.03 0.03 -0.01 -0.01 -0.04 -0.01 0.01 -0.01 -0.04 0.05 0.03 0.05 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.26 0.37 0.21 0.25 -0.41 -0.12 -0.04 -0.29 0.64 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.02 -0.00 0.05 0.00 0.00 -0.00 0.00 -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 -0.03 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.03 0.06 0.03 0.03 0.05 0.05 -0.30 0.03 -0.32 -0.35 -0.24 0.16 0.14 0.04 -0.10 0.13 -0.07 0.11 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.40 0.10 -0.23 0.34 -0.09 0.28 -0.20 -0.18 -0.13 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 -0.05 -0.03 -0.02 -0.01 0.00 0.00 -0.06 0.01 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.02 0.00 0.00 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.08 -0.08 -0.05 -0.04 -0.05 -0.11 0.29 0.02 0.35 0.35 0.29 -0.14 0.36 0.13 -0.22 0.32 -0.09 0.29 -0.02 0.02 -0.01 -0.02 0.02 -0.01 0.02 -0.03 -0.01 0.21 0.07 -0.12 0.18 -0.04 0.16 -0.10 -0.09 -0.06 0.04 0.00 0.01 -0.02 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 0.02 0.00 -0.02 -0.00 -0.00 -0.08 0.04 0.01 -0.03 0.02 0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.13 -0.02 -0.03 -0.01 0.00 -0.00 -0.05 -0.07 0.09 -0.09 0.10 -0.06 -0.07 0.07 -0.05 0.12 -0.06 -0.01 -0.00 0.00 0.00 0.15 -0.08 -0.02 0.01 0.02 -0.02 -0.04 -0.05 0.06 0.08 -0.01 -0.03 -0.06 0.04 0.01 -0.04 0.04 0.02 0.01 -0.03 0.04 0.07 0.02 0.09 0.08 0.07 -0.03 0.08 0.03 -0.05 0.07 -0.02 0.06 0.34 -0.31 0.18 0.31 -0.29 0.17 -0.14 0.22 0.11 0.04 0.02 -0.02 0.04 -0.01 0.03 -0.02 -0.02 -0.01 -0.41 0.00 -0.07 0.27 -0.07 -0.05 -0.10 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 -0.12 0.05 0.01 0.02 -0.01 -0.01 -0.09 0.04 0.01 0.06 0.00 0.01 0.01 -0.01 -0.03 -0.01 -0.01 -0.00 -0.12 0.02 0.02 -0.01 0.00 0.00 0.03 0.06 -0.07 0.06 -0.08 0.05 0.07 -0.06 0.04 0.13 -0.07 -0.02 -0.00 0.00 -0.00 0.18 -0.09 -0.02 -0.01 -0.02 0.02 0.05 0.03 -0.06 -0.08 0.01 0.03 -0.05 0.04 0.02 -0.20 0.02 0.10 0.07 0.05 0.24 0.05 -0.00 0.06 0.06 0.06 -0.02 0.03 0.01 -0.02 0.03 -0.02 0.02 -0.27 0.24 -0.14 -0.24 0.24 -0.14 -0.18 0.26 0.13 0.02 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.48 0.02 -0.07 -0.24 0.05 0.05 -0.13 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 -0.01 0.02 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.03 -0.02 -0.07 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.02 -0.01 -0.00 -0.59 0.21 0.31 0.16 0.04 0.64 0.07 0.00 0.08 0.08 0.09 -0.03 0.03 0.00 -0.02 0.03 -0.02 0.01 0.02 -0.02 0.01 0.03 -0.02 0.01 0.03 -0.05 -0.02 0.01 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.14 -0.02 0.00 0.03 -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 0.05 0.05 0.04 -0.03 -0.00 -0.01 -0.17 0.10 0.03 0.02 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.31 0.05 -0.02 -0.00 -0.00 0.00 0.16 -0.11 -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.36 -0.02 0.05 0.04 -0.03 -0.02 -0.02 -0.03 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.36 -0.22 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.31 -0.05 -0.08 0.00 0.00 -0.00 -0.36 -0.41 -0.31 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 0.02 -0.01 -0.01 -0.02 -0.02 0.02 0.00 -0.00 0.00 -0.03 0.02 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.19 0.20 -0.27 0.00 0.00 0.00 -0.27 -0.09 0.21 -0.10 -0.09 0.14 0.07 0.10 -0.14 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.04 0.01 -0.03 0.32 0.07 -0.21 -0.17 -0.20 0.28 -0.00 -0.00 -0.00 0.02 0.04 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 -0.21 -0.01 0.10 0.20 0.01 -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 0.03 -0.00 0.00 -0.48 0.11 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 0.02 -0.01 0.00 -0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.14 -0.15 0.10 0.00 0.00 0.00 -0.23 0.15 -0.05 -0.25 0.21 -0.11 0.25 -0.24 0.13 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.03 -0.03 0.02 0.21 -0.09 0.00 -0.10 0.14 -0.10 0.00 -0.00 -0.00 -0.03 0.03 0.01 0.01 0.01 0.03 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.24 -0.27 0.18 -0.35 0.34 -0.21 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.00 0.00 -0.19 -0.09 0.17 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.04 -0.03 -0.52 -0.22 -0.19 0.02 -0.02 -0.01 0.58 0.38 0.28 -0.04 -0.06 -0.04 0.00 -0.00 -0.00 0.07 -0.03 -0.00 0.00 0.00 0.00 0.02 -0.01 -0.00 0.02 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.02 0.02 -0.00 -0.00 -0.00 -0.05 0.03 0.01 -0.00 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.10 -0.06 0.08 0.20 0.06 0.00 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.02 -0.00 0.01 -0.02 0.01 0.03 0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.01 0.02 0.01 0.01 -0.01 0.04 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.05 0.01 -0.05 0.00 -0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.01 0.04 0.01 -0.00 -0.00 0.17 0.14 -0.19 0.46 -0.26 0.78 -0.06 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.01 -0.04 -0.03 -0.03 0.04 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -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 -0.03 -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 -0.06 0.01 -0.10 0.03 -0.01 -0.00 0.01 0.01 -0.01 0.04 -0.03 0.07 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 0.30 -0.12 0.52 0.37 0.29 -0.39 -0.37 0.28 0.10 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.07 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.44 -0.10 0.82 -0.27 0.09 0.03 -0.02 -0.01 0.02 -0.00 0.01 -0.01 0.05 -0.02 0.08 0.07 0.05 -0.08 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.04 -0.01 0.06 0.04 0.03 -0.05 -0.06 0.04 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.06 -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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.02 -0.13 0.01 -0.00 0.00 0.01 0.01 -0.01 0.04 -0.03 0.08 0.37 -0.15 0.63 0.38 0.29 -0.41 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 0.01 -0.06 -0.03 -0.03 0.03 -0.05 0.04 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.01 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 -0.02 0.04 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 0.05 0.07 -0.02 -0.01 0.20 0.14 -0.19 -0.01 0.00 -0.01 0.28 -0.10 0.45 -0.41 -0.30 0.40 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.15 0.05 -0.25 0.19 0.15 -0.19 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.02 0.04 0.00 -0.00 0.00 0.00 0.01 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.02 0.05 -0.02 -0.01 0.32 0.23 -0.31 -0.07 0.03 -0.10 0.08 -0.03 0.14 -0.10 -0.08 0.10 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.30 -0.10 0.49 -0.35 -0.28 0.35 0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 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 -0.01 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 -0.08 0.04 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.04 -0.01 -0.01 -0.18 -0.13 0.18 0.05 -0.03 0.08 0.09 -0.03 0.14 -0.03 -0.02 0.03 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.19 -0.07 0.34 0.12 0.11 -0.14 0.63 -0.49 -0.18 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.01 0.00 -0.03 -0.03 0.05 0.00 0.00 0.00 -0.01 -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -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 -0.04 0.01 -0.07 -0.29 0.10 0.05 0.43 0.30 -0.43 -0.11 0.06 -0.18 -0.12 0.05 -0.19 0.20 0.14 -0.20 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.02 -0.09 0.21 0.18 -0.22 0.24 -0.19 -0.06 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.08 0.03 -0.01 -0.01 -0.01 0.02 0.00 -0.00 -0.00 -0.01 -0.01 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -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 0.11 -0.02 0.22 0.84 -0.28 -0.15 0.12 0.08 -0.11 -0.04 0.03 -0.07 -0.06 0.02 -0.09 0.13 0.09 -0.13 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.01 -0.05 0.07 0.06 -0.07 0.05 -0.04 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.03 0.05 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.58 0.28 -0.54 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 0.12 -0.38 0.34 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.01 0.03 -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 0.05 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 0.36 0.17 -0.33 0.02 0.01 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.19 0.62 -0.55 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.06 -0.03 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 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 0.02 0.68 0.33 -0.64 0.00 0.00 0.00 -0.00 0.00 -0.00 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 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.05 -0.07 -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.15 -0.11 -0.09 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.04 0.02 0.00 -0.00 0.00 -0.52 0.74 0.36 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.08 -0.05 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -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 0.10 0.07 0.06 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.11 0.84 0.51 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.07 -0.04 -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 0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.71 0.50 0.42 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.11 -0.06 -0.00 0.00 -0.00 -0.11 0.15 0.07 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 0.99962 0.02685 0.00614 -0.02706 0.99893 0.03748 -0.00513 -0.03763 0.99928 asymmetric 1 0.01268 0.00767 0.00560 0.26412 0.15987 0.11666 749511.0 12.58 29.75 47.51 52.15 67.83 70.80 102.73 122.30 145.95 171.71 181.90 208.89 219.45 292.92 324.65 344.43 379.99 406.21 412.53 433.77 488.48 500.01 517.82 559.57 627.90 684.61 691.05 717.38 763.55 798.44 852.61 881.04 882.62 941.65 943.68 955.71 988.10 1053.59 1081.77 1099.74 1110.90 1142.75 1209.78 1226.98 1246.06 1281.07 1289.17 1300.34 1306.20 1316.24 1396.86 1415.27 1435.32 1475.08 1492.95 1500.62 1517.69 1548.35 1548.92 1573.30 1609.10 1613.39 1619.42 1644.85 1675.07 1714.04 1773.08 1806.54 1821.45 1858.48 1875.09 1880.59 1901.11 1911.72 1918.36 1923.73 1935.16 2018.97 2035.95 2043.64 2058.65 2067.12 2117.15 2130.67 2140.55 2159.54 2162.07 2175.15 2195.01 2253.23 2301.77 2349.72 2662.10 4318.44 4344.12 4344.54 4355.48 4396.55 4429.72 4445.17 4446.60 4455.93 4599.04 4618.90 4634.59 4683.86 4726.00 4748.33 0.285474 0.307169 0.308113 0.229928 -1579.920660 -1579.898965 -1579.898021 -1579.976205 192.751 79.527 164.553 0.000 0.000 0.000 0.889 2.981 43.410 0.889 2.981 35.433 190.974 73.565 85.710 1 0.593 1.987 8.277 2 0.593 1.986 6.568 3 0.594 1.983 5.639 4 0.594 1.982 5.454 5 0.595 1.979 4.934 6 0.595 1.978 4.849 7 0.598 1.968 4.114 8 0.601 1.960 3.772 9 0.604 1.948 3.427 10 0.609 1.933 3.111 11 0.611 1.927 3.000 12 0.617 1.908 2.734 13 0.619 1.900 2.640 14 0.639 1.835 2.100 15 0.650 1.802 1.913 16 0.657 1.780 1.807 17 0.671 1.739 1.634 18 0.681 1.706 1.520 19 0.684 1.698 1.493 20 0.693 1.671 1.409 21 0.719 1.597 1.214 22 0.725 1.580 1.177 23 0.734 1.555 1.123 24 0.757 1.494 1.004 25 0.797 1.391 0.838 26 0.832 1.304 0.721 27 0.837 1.294 0.709 28 0.854 1.253 0.662 29 0.886 1.182 0.586 30 0.910 1.129 0.534 31 0.950 1.048 0.463 32 0.972 1.006 0.429 33 0.973 1.003 0.427 0.354041e+26 25.549053 58.828869 0.113629e+11 10.055490 23.153622 0.100000e+01 0.000000 0.000000 0.251967e+09 8.401344 19.344810 0.123657e+08 7.092219 16.330437 water ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1580.2061335 4.665E-9 6.322E-6 0.2854736 0.3071687 -1579.8989648 -1579.8980206 -1579.9762052 -15.9066156,6.1337392,9.7728764,7.6830423,5.8425946,4.0157473 C01 [X(C15H15Cl1F3N3O1)] -0.4830406 2.1653847 0.6401813 -0.9986638 0.4064443 0.0678964 0.4413562 -0.3261874 -0.0063785 0.0929442 -0.0181824 -0.1152631 -0.9026931 0.0816973 -0.4822718 0.0003661 -0.581216 0.118601 -0.4011404 0.132385 -0.8048604 -0.8686871 -0.1812532 0.3482549 -0.2419097 -0.6220093 0.2622739 0.4193953 0.2606327 -0.7326571 -0.4423336 0.2035673 0.0372536 0.1235872 -1.2335752 -0.2481757 0.0846549 -0.2772053 -0.6551447 -0.8680477 -0.330942 -0.1050521 -0.4431918 -1.4571172 -0.2947349 -0.0670538 -0.2418239 -0.875759 -2.340539 0.7504294 0.1526527 1.0881214 -0.6088145 -0.1598366 0.3606981 -0.2379348 -0.23755 -2.5750039 0.6576927 0.0866994 0.3040722 -0.7598909 -0.2111807 -0.2079057 -0.1493701 -0.5138646 -1.0320863 0.2267141 0.0514892 0.5625904 -0.6479319 -0.053749 0.3544592 -0.1380297 -0.4632174 3.159919 -0.7519669 0.0017622 -0.7578391 0.9145744 0.3678327 0.0012673 0.3642386 0.550098 0.4445029 0.2334504 -0.0811346 0.3779369 0.7453439 -0.1958719 -0.0602722 -0.4126721 0.3405811 0.5401144 0.1151121 0.1603078 0.1478196 0.9598987 0.3164894 0.2513926 0.4119029 0.7320303 1.6731952 -0.4648813 -0.1357892 -0.7915153 0.4607151 0.0593891 -0.1122827 0.0324547 0.1532071 0.0362163 0.0772696 0.0618695 -0.0127615 -0.0038733 -0.1242435 -0.0334323 -0.1322432 0.1179181 -0.2970369 0.1699481 -0.1105636 0.0155998 -0.4391483 0.1767403 0.0692553 0.0563675 -0.2790022 -0.4877219 0.06742 -0.040023 0.3596569 -0.1809557 -0.124803 -0.2296889 0.007172 -0.0819786 -0.2907425 -0.0785726 0.1017682 0.1576532 0.0029318 -0.120086 -0.0761425 -0.0160356 -0.0336306 0.1516658 -0.1691916 -0.083279 -0.6129192 0.1643379 0.1275656 -0.4553519 0.2290465 -0.0596405 0.1183361 0.0433777 0.0089279 0.0128367 0.0649074 -0.057481 -0.0010916 -0.0537875 0.1111345 1.654957 -0.4863817 -0.0366792 -0.3017343 0.1653066 -0.0098334 0.0936989 -0.0636454 0.0265175 2.1868256 -0.0990572 0.1141085 0.1504239 2.6286168 -0.2547669 -0.0784358 -0.2335743 2.2906698 0.0370281 0.0555375 -0.0643743 0.0716373 -0.0097338 -0.0722426 -0.1147247 -0.0846361 -0.025023 1.1773665 -0.6085941 -0.0981462 -0.7834533 0.2313624 0.1072799 0.0203226 0.0681179 -0.0822404 -0.2526475 0.0692952 0.0408205 0.0367735 0.0680699 0.2329952 -0.0033212 0.2441439 0.0330185 -0.0241148 0.0158689 -0.1349647 -0.0429406 -0.0191476 0.0177881 -0.0614074 0.1185338 -0.0241331 -0.0965989 -0.0165584 0.0647449 0.0681073 -0.0162838 -0.0281103 0.0768162 0.0356745 0.092324 -0.0607951 -0.0971436 0.0752261 -0.121613 -0.05136 0.014402 0.1094251 0.027463 -0.0274743 -0.0242458 0.0459193 -0.095473 0.0969855 -0.0757798 0.1009294 -0.1621441 0.0072177 -0.1166064 -0.0233413 0.0653234 -0.1076733 0.0657852 0.0125343 0.0508391 -0.1407679 0.0505017 -0.1328647 -0.0722268 -0.0905064 0.0910198 -0.1148364 -0.0509498 0.0575686 0.1105282 0.0674155 0.0059238 0.0400471 -0.0184546 0.0867902 0.0019075 0.1169844 0.0523591 0.088304 0.0510516 0.1270259 0.0713774 -0.0078645 0.0465925 -0.0047633 0.161402 0.0304082 0.0452443 0.0309764 0.1508337 0.1171276 -0.0068156 -0.0405006 0.0034142 0.1888237 -0.0628366 -0.022403 -0.0672623 0.1955469 0.011167 0.016793 -0.1397442 0.0528043 0.0179644 0.0916169 -0.1354531 0.0450193 -0.1137012 -0.0407075 -0.1468541 0.073351 -0.1203467 -0.0330746 0.0456594 0.1110834 0.0865727 -0.0165615 -0.0668695 0.1240146 0.0702881 0.0973093 -0.0642362 -0.0998457 0.0497421 -0.101182 0.0412756 0.1368704 0.0085635 -0.0007265 0.0112787 0.1423221 -0.0671973 0.0098415 -0.0616137 0.1519968 0.1100021 0.0530108 -0.0146168 0.0565431 0.0537921 0.0732667 0.0028328 0.0712882 0.1408333 0.0983844 0.0675881 0.0291886 0.0452576 0.0813976 -0.1126311 0.0111134 -0.1089777 0.1302377 398.3052226|-42.7934596|289.4183153|-8.0610812|-0.3975038|241.7443626 0.000007772 0.000000082 -0.000002636 -0.000001054 -0.000003819 -0.000006538 -0.000004231 -0.000004427 -0.000006124 0.000000618 -0.000001636 -0.000014390 0.000006174 0.000004818 0.000012714 -0.000001724 -0.000009696 -0.000001088 -0.000001496 0.000002792 0.000003228 0.000009640 0.000001250 -0.000013130 -0.000005541 0.000013389 -0.000016351 0.000001920 0.000001685 0.000000268 -0.000008433 -0.000015714 -0.000005223 0.000013354 -0.000001805 -0.000006362 -0.000000627 0.000003483 0.000012188 -0.000008321 0.000006769 -0.000007233 0.000000775 0.000003416 -0.000000266 0.000009141 -0.000006998 -0.000003590 -0.000001507 0.000007360 -0.000006993 -0.000002997 -0.000006605 0.000010173 -0.000006564 0.000000671 0.000011903 -0.000001080 0.000002705 -0.000006264 0.000004313 0.000000445 0.000000967 -0.000013522 0.000014263 -0.000006559 0.000003905 0.000002457 0.000000724 -0.000000592 -0.000004573 0.000001035 -0.000000687 -0.000002848 0.000001198 0.000000353 -0.000000775 0.000008427 0.000001507 -0.000002199 0.000009089 0.000000379 -0.000000520 0.000007584 -0.000000317 -0.000003316 0.000005039 0.000002347 0.000005350 0.000000706 -0.000002050 -0.000000606 -0.000008389 0.000000132 0.000003813 -0.000004746 -0.000001469 -0.000007876 0.000010450 0.000000045 -0.000003841 0.000012183 -0.000001281 -0.000004786 0.000011735 -0.000001298 -0.000002654 0.000002128 0.000002066 0.000005864 -0.000000293 0.000000349 0.000004082 -0.000005564 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 13-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 scrf=(smd,Solvent=Water) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 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/water/CONF172/ #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction triflumizole_E CONF172 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 2111.0976940041 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 -0.0394465157 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 6.107821 0.000000 5.186767 2.171633 0.000000 6.087848 2.173662 2.168600 0.000000 7.259140 4.929004 6.671081 6.050791 0.000000 8.111548 4.016237 5.894892 4.484411 2.936448 0.000000 5.953721 2.924117 4.218783 2.948956 3.373369 2.295190 0.000000 10.324063 5.804786 7.802474 6.318417 4.247874 2.226668 4.505693 0.000000 6.747610 3.189588 4.942399 3.849299 2.373952 1.408233 1.273019 3.583341 0.000000 6.642279 3.517034 5.326965 4.806575 1.423021 2.475748 2.488261 4.207262 1.511784 0.000000 7.883687 5.775046 7.528378 7.197279 1.440548 4.162463 4.709577 5.075181 3.683681 2.398194 0.000000 4.551763 2.959086 3.673968 3.016028 3.794680 3.611329 1.404018 5.837995 2.335666 2.904473 4.970169 0.000000 7.106010 6.006023 7.464422 7.525395 2.479999 5.289980 5.257260 6.491989 4.476326 3.057923 1.524204 5.105155 0.000000 4.020307 2.378385 2.377680 2.382178 4.887004 4.580651 2.445685 6.760736 3.352855 3.769968 5.901533 1.406524 5.844975 0.000000 4.021773 4.270738 4.789147 4.322852 3.800392 4.373955 2.431139 6.535237 3.116403 3.368005 4.884748 1.399496 4.812195 2.413094 0.000000 2.723805 3.462198 2.711426 3.441706 5.761456 5.893744 3.719768 8.093604 4.594544 4.766971 6.623353 2.434271 6.262021 1.394096 2.789545 0.000000 8.762467 4.643814 6.299579 4.511814 4.223346 1.394155 2.829092 2.263253 2.502401 3.814297 5.491775 4.228080 6.635310 5.135493 5.032522 6.482344 0.000000 8.231782 7.284876 8.739772 8.946327 3.816316 6.599204 6.759975 7.509954 5.912789 4.457967 2.519095 6.614219 1.530576 7.274051 6.298710 7.603997 7.958233 0.000000 9.211506 4.889482 6.937522 5.675349 3.032069 1.381134 3.603508 1.308473 2.497180 2.913493 3.903654 4.827458 5.257672 5.764006 5.495228 7.047150 2.222694 6.346796 0.000000 5.221264 1.361089 1.351591 1.358797 5.507792 4.589708 2.878870 6.570155 3.634454 4.189130 6.494086 2.516710 6.605012 1.502443 3.792434 2.502592 5.008080 7.973396 5.697287 0.000000 2.731237 4.959722 4.968856 4.987448 4.868912 5.730282 3.706399 7.901736 4.421151 4.453147 5.732203 2.427265 5.308484 2.789200 1.389375 2.421656 6.396318 6.675230 6.824959 4.291480 0.000000 1.763178 4.619253 4.098677 4.616583 5.740214 6.359785 4.190775 8.578301 5.009255 5.038602 6.537529 2.788586 6.010513 2.398621 2.397768 1.387694 7.003206 7.318432 7.489907 3.773875 1.390553 0.000000 10.072923 5.665616 7.448552 5.689006 4.828022 2.193296 4.127598 1.392304 3.564414 4.621068 5.912596 5.527817 7.230718 6.426700 6.288030 7.786130 1.358907 8.409279 2.150739 6.198736 7.667253 8.311388 0.000000 7.358612 3.432920 5.440042 5.048995 2.085431 2.711088 3.197400 4.047854 2.139888 1.097705 2.577197 3.711944 3.315351 4.320831 4.364341 5.348701 4.066104 4.488943 2.775970 4.409780 5.382708 5.796959 4.665572 0.000000 5.664575 3.268757 4.779560 4.636529 2.089182 3.380317 2.626978 5.261479 2.134108 1.091007 2.803851 2.477024 2.889034 3.141749 2.832192 3.924314 4.621788 4.335274 3.980006 3.773469 3.679780 4.138288 5.568884 1.769739 0.000000 8.617648 6.755844 8.518181 8.044837 2.017422 4.624178 5.384635 5.228545 4.354092 3.280351 1.092432 5.724050 2.161604 6.777403 5.492477 7.497696 5.845350 2.748102 4.216771 7.430459 6.354972 7.299378 6.119621 3.522094 3.772039 0.000000 8.523274 5.674800 7.573365 7.285059 2.076304 4.186583 5.040289 4.805962 3.896535 2.599994 1.098266 5.436333 2.171878 6.234013 5.594868 7.044510 5.537036 2.791829 3.673963 6.588826 6.483170 7.144947 5.804834 2.295285 3.135695 1.774737 0.000000 6.561922 6.323512 7.594187 7.606614 2.681209 5.535235 5.218005 6.902854 4.621004 3.388610 2.142306 4.908110 1.095132 5.739159 4.326379 6.026683 6.796970 2.168427 5.686543 6.713054 4.697252 5.550036 7.497466 3.938971 3.090020 2.502346 3.063202 0.000000 6.486709 5.225557 6.587567 6.875659 2.774817 5.239041 4.939345 6.636079 4.265417 2.806484 2.157860 4.647600 1.094408 5.162867 4.525825 5.521900 6.598771 2.160158 5.346809 5.843716 4.930879 5.407565 7.299813 2.954756 2.352126 3.065386 2.503417 1.762718 0.000000 4.878573 4.981768 5.757612 5.049467 3.366115 4.149219 2.645178 6.162759 3.073088 3.329782 4.501348 2.144033 4.594307 3.392268 1.082892 3.872424 4.793830 6.067465 5.174336 4.657995 2.147441 3.382559 5.956188 4.414443 3.054305 4.921916 5.324150 4.009792 4.558465 0.000000 2.860362 3.710115 2.349457 3.664680 6.680021 6.708097 4.595555 8.863817 5.452199 5.595131 7.467196 3.414647 7.039176 2.153356 3.870532 1.081018 7.261672 8.303131 7.836620 2.706767 3.400033 2.148372 8.546495 6.040040 4.735134 8.393068 7.801440 6.874507 6.203848 4.953413 0.000000 8.345865 4.584571 5.930662 3.964482 4.801937 2.164469 2.629391 3.321267 2.808855 4.286068 6.163608 3.935018 7.165496 4.768584 4.761388 6.078195 1.075104 8.571450 3.247050 4.662349 6.067714 6.614295 2.230390 4.679722 4.908449 6.559701 6.316019 7.211546 7.060676 4.611985 6.835827 0.000000 8.878428 7.273783 8.841717 9.089775 4.150871 6.686305 7.063448 7.399276 6.116837 4.632113 2.781617 7.033216 2.179122 7.607408 6.916067 8.025691 8.064025 1.094644 6.276560 8.117789 7.372730 7.909238 8.407024 4.397581 4.613004 3.102040 2.605767 3.083042 2.521936 6.750531 8.655872 8.757247 0.000000 8.929694 8.107917 9.621491 9.664220 4.100266 6.935894 7.271424 7.657536 6.382068 5.017110 2.780434 7.214821 2.179145 8.015341 6.791191 8.383343 8.242617 1.094622 6.585372 8.772191 7.218767 8.007077 8.596560 5.123379 5.036580 2.558852 3.160671 2.524968 3.076778 6.397520 9.150322 8.893819 1.769006 0.000000 7.964463 7.685197 8.929155 9.355905 4.641077 7.432266 7.324676 8.497269 6.606373 5.148300 3.474312 6.982867 2.176153 7.514694 6.573139 7.649508 8.793194 1.093041 7.295848 8.285689 6.725967 7.269795 9.337297 5.227174 4.815701 3.756035 3.791297 2.515301 2.498655 6.438861 8.277737 9.331849 1.767377 1.768316 0.000000 9.240276 5.067880 7.178310 6.203205 2.589690 2.161423 4.066244 2.123845 2.819709 2.639320 3.113426 5.099840 4.507724 6.001544 5.669520 7.196014 3.253675 5.454823 1.076539 6.001176 6.917930 7.581200 3.199985 2.285507 3.709549 3.451114 2.706058 5.078552 4.645477 5.352993 7.973752 4.232518 5.296413 5.697115 6.436729 0.000000 2.874881 6.011270 6.021952 6.043684 5.274631 6.452556 4.576697 8.551721 5.192652 5.118015 6.022289 3.406591 5.479487 3.871666 2.148056 3.401978 7.124922 6.743461 7.480551 5.373909 1.082471 2.153755 8.353606 6.095177 4.375502 6.512220 6.887095 4.692015 5.250695 2.476387 4.293207 6.818679 7.559508 7.180542 6.710566 7.525953 0.000000 10.941592 6.514152 8.193339 6.313725 5.871924 3.248494 5.019582 2.161628 4.586950 5.694843 6.943906 6.417234 8.285751 7.278471 7.176666 8.639470 2.191718 9.444087 3.173630 6.980719 8.548889 9.185634 1.078314 5.730676 6.628318 7.085786 6.826139 8.533579 8.375652 6.829087 9.374057 2.745367 9.431614 9.589960 10.386988 4.184049 9.225196 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2641173 0.1598701 0.1166633 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= 1.54D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 8.80D-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= 623 623 623 623 623 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.20613349448 -1580.20613349443 0.000000000050 -1580.20613349 2 1.574842552083e+03 -7.937742246144e+03 2.671624922207e+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. PT1337S Mon Dec 13 14:27:29 2021 GINC-DEPAZ13 PAULAPLA 13-Dec-2021 0 Wavefunction triflumizole_E CONF172 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.2061335 RMSD=5.219e-09 Dipole=-0.483041,2.165384,0.6401819 Quadrupole=-15.9066175,6.1337392,9.7728783,7.6830474,5.8425926,4.0157482 PG=C01 [X(C15H15Cl1F3N3O1)] 0 -4.893279178 1.816130497 -0.3470569486 0 -0.479331878 -1.8864730816 1.6810648945 0 -2.5919869366 -2.3872490411 1.6374341509 0 -1.2859238569 -3.0719452745 0.0473969686 0 2.3591443655 1.7569075732 -0.0405351308 0 2.6716860853 -1.0921784662 -0.679092078 0 0.4008203517 -0.8494422363 -0.9074400794 0 4.828740493 -1.6441096207 -0.6558489585 0 1.4728535463 -0.4203838758 -0.3715006914 0 1.5932727316 0.7381045581 0.5922915078 0 2.8380902798 2.7697002984 0.86502558 0 -0.8253448896 -0.1917276046 -0.7198314828 0 1.7388677798 3.6871962016 1.3876241544 0 -1.8318730861 -0.7534958962 0.0861637836 0 -1.1027488185 0.9936632401 -1.4101104386 0 -3.0766195547 -0.1369731371 0.2045283917 0 2.8228385492 -2.1510817473 -1.5732645607 0 2.3222814722 4.814642015 2.2427018702 0 3.926224266 -0.8359867865 -0.1613751687 0 -1.5544108933 -2.0134997056 0.856060698 0 -2.3418160894 1.6125050769 -1.300066892 0 -3.3178536889 1.0380181379 -0.493250537 0 4.1432875926 -2.470578971 -1.5421970633 0 2.0828020577 0.3920741299 1.5118456529 0 0.5941599591 1.0885502298 0.8554603487 0 3.5647974038 3.3416470317 0.2834914987 0 3.3683429142 2.2846830689 1.6955550199 0 1.1940790342 4.102601134 0.533247974 0 1.0219688095 3.109865302 1.9796324194 0 -0.3324799629 1.4282446529 -2.034994279 0 -3.8421100327 -0.5669230674 0.8352158723 0 1.9913681032 -2.5545270018 -2.1225700913 0 2.861500391 4.4152614693 3.1075628721 0 3.0224600138 5.4262218394 1.6648458925 0 1.5324782281 5.471558474 2.6160775234 0 4.1103165767 -0.0551278121 0.556472237 0 -2.5399134846 2.5326166 -1.8347584382 0 4.6490068328 -3.2426242029 -2.0998306819 Gaussian 16 13-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 scrf=(smd,Solvent=Water) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 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/water/CONF172/ #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Water) 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=1/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum triflumizole_E CONF172 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 2111.0976940041 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 -0.0394465157 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 6.107821 0.000000 5.186767 2.171633 0.000000 6.087848 2.173662 2.168600 0.000000 7.259140 4.929004 6.671081 6.050791 0.000000 8.111548 4.016237 5.894892 4.484411 2.936448 0.000000 5.953721 2.924117 4.218783 2.948956 3.373369 2.295190 0.000000 10.324063 5.804786 7.802474 6.318417 4.247874 2.226668 4.505693 0.000000 6.747610 3.189588 4.942399 3.849299 2.373952 1.408233 1.273019 3.583341 0.000000 6.642279 3.517034 5.326965 4.806575 1.423021 2.475748 2.488261 4.207262 1.511784 0.000000 7.883687 5.775046 7.528378 7.197279 1.440548 4.162463 4.709577 5.075181 3.683681 2.398194 0.000000 4.551763 2.959086 3.673968 3.016028 3.794680 3.611329 1.404018 5.837995 2.335666 2.904473 4.970169 0.000000 7.106010 6.006023 7.464422 7.525395 2.479999 5.289980 5.257260 6.491989 4.476326 3.057923 1.524204 5.105155 0.000000 4.020307 2.378385 2.377680 2.382178 4.887004 4.580651 2.445685 6.760736 3.352855 3.769968 5.901533 1.406524 5.844975 0.000000 4.021773 4.270738 4.789147 4.322852 3.800392 4.373955 2.431139 6.535237 3.116403 3.368005 4.884748 1.399496 4.812195 2.413094 0.000000 2.723805 3.462198 2.711426 3.441706 5.761456 5.893744 3.719768 8.093604 4.594544 4.766971 6.623353 2.434271 6.262021 1.394096 2.789545 0.000000 8.762467 4.643814 6.299579 4.511814 4.223346 1.394155 2.829092 2.263253 2.502401 3.814297 5.491775 4.228080 6.635310 5.135493 5.032522 6.482344 0.000000 8.231782 7.284876 8.739772 8.946327 3.816316 6.599204 6.759975 7.509954 5.912789 4.457967 2.519095 6.614219 1.530576 7.274051 6.298710 7.603997 7.958233 0.000000 9.211506 4.889482 6.937522 5.675349 3.032069 1.381134 3.603508 1.308473 2.497180 2.913493 3.903654 4.827458 5.257672 5.764006 5.495228 7.047150 2.222694 6.346796 0.000000 5.221264 1.361089 1.351591 1.358797 5.507792 4.589708 2.878870 6.570155 3.634454 4.189130 6.494086 2.516710 6.605012 1.502443 3.792434 2.502592 5.008080 7.973396 5.697287 0.000000 2.731237 4.959722 4.968856 4.987448 4.868912 5.730282 3.706399 7.901736 4.421151 4.453147 5.732203 2.427265 5.308484 2.789200 1.389375 2.421656 6.396318 6.675230 6.824959 4.291480 0.000000 1.763178 4.619253 4.098677 4.616583 5.740214 6.359785 4.190775 8.578301 5.009255 5.038602 6.537529 2.788586 6.010513 2.398621 2.397768 1.387694 7.003206 7.318432 7.489907 3.773875 1.390553 0.000000 10.072923 5.665616 7.448552 5.689006 4.828022 2.193296 4.127598 1.392304 3.564414 4.621068 5.912596 5.527817 7.230718 6.426700 6.288030 7.786130 1.358907 8.409279 2.150739 6.198736 7.667253 8.311388 0.000000 7.358612 3.432920 5.440042 5.048995 2.085431 2.711088 3.197400 4.047854 2.139888 1.097705 2.577197 3.711944 3.315351 4.320831 4.364341 5.348701 4.066104 4.488943 2.775970 4.409780 5.382708 5.796959 4.665572 0.000000 5.664575 3.268757 4.779560 4.636529 2.089182 3.380317 2.626978 5.261479 2.134108 1.091007 2.803851 2.477024 2.889034 3.141749 2.832192 3.924314 4.621788 4.335274 3.980006 3.773469 3.679780 4.138288 5.568884 1.769739 0.000000 8.617648 6.755844 8.518181 8.044837 2.017422 4.624178 5.384635 5.228545 4.354092 3.280351 1.092432 5.724050 2.161604 6.777403 5.492477 7.497696 5.845350 2.748102 4.216771 7.430459 6.354972 7.299378 6.119621 3.522094 3.772039 0.000000 8.523274 5.674800 7.573365 7.285059 2.076304 4.186583 5.040289 4.805962 3.896535 2.599994 1.098266 5.436333 2.171878 6.234013 5.594868 7.044510 5.537036 2.791829 3.673963 6.588826 6.483170 7.144947 5.804834 2.295285 3.135695 1.774737 0.000000 6.561922 6.323512 7.594187 7.606614 2.681209 5.535235 5.218005 6.902854 4.621004 3.388610 2.142306 4.908110 1.095132 5.739159 4.326379 6.026683 6.796970 2.168427 5.686543 6.713054 4.697252 5.550036 7.497466 3.938971 3.090020 2.502346 3.063202 0.000000 6.486709 5.225557 6.587567 6.875659 2.774817 5.239041 4.939345 6.636079 4.265417 2.806484 2.157860 4.647600 1.094408 5.162867 4.525825 5.521900 6.598771 2.160158 5.346809 5.843716 4.930879 5.407565 7.299813 2.954756 2.352126 3.065386 2.503417 1.762718 0.000000 4.878573 4.981768 5.757612 5.049467 3.366115 4.149219 2.645178 6.162759 3.073088 3.329782 4.501348 2.144033 4.594307 3.392268 1.082892 3.872424 4.793830 6.067465 5.174336 4.657995 2.147441 3.382559 5.956188 4.414443 3.054305 4.921916 5.324150 4.009792 4.558465 0.000000 2.860362 3.710115 2.349457 3.664680 6.680021 6.708097 4.595555 8.863817 5.452199 5.595131 7.467196 3.414647 7.039176 2.153356 3.870532 1.081018 7.261672 8.303131 7.836620 2.706767 3.400033 2.148372 8.546495 6.040040 4.735134 8.393068 7.801440 6.874507 6.203848 4.953413 0.000000 8.345865 4.584571 5.930662 3.964482 4.801937 2.164469 2.629391 3.321267 2.808855 4.286068 6.163608 3.935018 7.165496 4.768584 4.761388 6.078195 1.075104 8.571450 3.247050 4.662349 6.067714 6.614295 2.230390 4.679722 4.908449 6.559701 6.316019 7.211546 7.060676 4.611985 6.835827 0.000000 8.878428 7.273783 8.841717 9.089775 4.150871 6.686305 7.063448 7.399276 6.116837 4.632113 2.781617 7.033216 2.179122 7.607408 6.916067 8.025691 8.064025 1.094644 6.276560 8.117789 7.372730 7.909238 8.407024 4.397581 4.613004 3.102040 2.605767 3.083042 2.521936 6.750531 8.655872 8.757247 0.000000 8.929694 8.107917 9.621491 9.664220 4.100266 6.935894 7.271424 7.657536 6.382068 5.017110 2.780434 7.214821 2.179145 8.015341 6.791191 8.383343 8.242617 1.094622 6.585372 8.772191 7.218767 8.007077 8.596560 5.123379 5.036580 2.558852 3.160671 2.524968 3.076778 6.397520 9.150322 8.893819 1.769006 0.000000 7.964463 7.685197 8.929155 9.355905 4.641077 7.432266 7.324676 8.497269 6.606373 5.148300 3.474312 6.982867 2.176153 7.514694 6.573139 7.649508 8.793194 1.093041 7.295848 8.285689 6.725967 7.269795 9.337297 5.227174 4.815701 3.756035 3.791297 2.515301 2.498655 6.438861 8.277737 9.331849 1.767377 1.768316 0.000000 9.240276 5.067880 7.178310 6.203205 2.589690 2.161423 4.066244 2.123845 2.819709 2.639320 3.113426 5.099840 4.507724 6.001544 5.669520 7.196014 3.253675 5.454823 1.076539 6.001176 6.917930 7.581200 3.199985 2.285507 3.709549 3.451114 2.706058 5.078552 4.645477 5.352993 7.973752 4.232518 5.296413 5.697115 6.436729 0.000000 2.874881 6.011270 6.021952 6.043684 5.274631 6.452556 4.576697 8.551721 5.192652 5.118015 6.022289 3.406591 5.479487 3.871666 2.148056 3.401978 7.124922 6.743461 7.480551 5.373909 1.082471 2.153755 8.353606 6.095177 4.375502 6.512220 6.887095 4.692015 5.250695 2.476387 4.293207 6.818679 7.559508 7.180542 6.710566 7.525953 0.000000 10.941592 6.514152 8.193339 6.313725 5.871924 3.248494 5.019582 2.161628 4.586950 5.694843 6.943906 6.417234 8.285751 7.278471 7.176666 8.639470 2.191718 9.444087 3.173630 6.980719 8.548889 9.185634 1.078314 5.730676 6.628318 7.085786 6.826139 8.533579 8.375652 6.829087 9.374057 2.745367 9.431614 9.589960 10.386988 4.184049 9.225196 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2641173 0.1598701 0.1166633 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= 1.54D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 8.80D-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= 623 623 623 623 623 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.20613349448 -1580.20613349441 0.000000000069 -1580.20613349 2 1.574842552083e+03 -7.937742246144e+03 2.671624922207e+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 4.0277 307.83 0.0825 0.000 89 90 0.68421 -1580.05811903 2 Singlet-A 4.3860 282.68 0.0677 0.000 88 90 0.69307 3 Singlet-A 4.6962 264.01 0.0382 0.000 86 90 -0.13555 86 92 -0.19223 89 91 0.65207 4 Singlet-A 4.9353 251.22 0.0061 0.000 87 90 0.68855 87 91 0.10528 5 Singlet-A 5.1048 242.88 0.0120 0.000 88 91 0.69044 6 Singlet-A 5.1961 238.61 0.5006 0.000 85 90 -0.37745 86 90 -0.18205 89 92 0.54996 7 Singlet-A 5.3845 230.26 0.0894 0.000 84 90 0.47539 84 91 0.12136 85 90 0.26716 86 90 -0.36090 88 92 -0.15118 89 91 -0.10404 8 Singlet-A 5.4053 229.37 0.0814 0.000 84 90 0.44261 84 91 0.12073 85 90 -0.11245 86 90 0.40565 88 92 0.29054 9 Singlet-A 5.4351 228.12 0.0926 0.000 86 90 -0.31670 88 92 0.60963 10 Singlet-A 5.5455 223.58 0.0132 0.000 84 90 -0.15558 85 90 0.47603 86 90 0.16650 86 91 0.22970 88 92 0.11290 89 92 0.35019 PT36652.800S Mon Dec 13 14:53:07 2021 GINC-DEPAZ13 PAULAPLA 13-Dec-2021 0 Electronic spectrum triflumizole_E CONF172 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.2061335 RMSD=5.222e-09 PG=C01 [X(C15H15Cl1F3N3O1)] 0 -4.893279178 1.816130497 -0.3470569486 0 -0.479331878 -1.8864730816 1.6810648945 0 -2.5919869366 -2.3872490411 1.6374341509 0 -1.2859238569 -3.0719452745 0.0473969686 0 2.3591443655 1.7569075732 -0.0405351308 0 2.6716860853 -1.0921784662 -0.679092078 0 0.4008203517 -0.8494422363 -0.9074400794 0 4.828740493 -1.6441096207 -0.6558489585 0 1.4728535463 -0.4203838758 -0.3715006914 0 1.5932727316 0.7381045581 0.5922915078 0 2.8380902798 2.7697002984 0.86502558 0 -0.8253448896 -0.1917276046 -0.7198314828 0 1.7388677798 3.6871962016 1.3876241544 0 -1.8318730861 -0.7534958962 0.0861637836 0 -1.1027488185 0.9936632401 -1.4101104386 0 -3.0766195547 -0.1369731371 0.2045283917 0 2.8228385492 -2.1510817473 -1.5732645607 0 2.3222814722 4.814642015 2.2427018702 0 3.926224266 -0.8359867865 -0.1613751687 0 -1.5544108933 -2.0134997056 0.856060698 0 -2.3418160894 1.6125050769 -1.300066892 0 -3.3178536889 1.0380181379 -0.493250537 0 4.1432875926 -2.470578971 -1.5421970633 0 2.0828020577 0.3920741299 1.5118456529 0 0.5941599591 1.0885502298 0.8554603487 0 3.5647974038 3.3416470317 0.2834914987 0 3.3683429142 2.2846830689 1.6955550199 0 1.1940790342 4.102601134 0.533247974 0 1.0219688095 3.109865302 1.9796324194 0 -0.3324799629 1.4282446529 -2.034994279 0 -3.8421100327 -0.5669230674 0.8352158723 0 1.9913681032 -2.5545270018 -2.1225700913 0 2.861500391 4.4152614693 3.1075628721 0 3.0224600138 5.4262218394 1.6648458925 0 1.5324782281 5.471558474 2.6160775234 0 4.1103165767 -0.0551278121 0.556472237 0 -2.5399134846 2.5326166 -1.8347584382 0 4.6490068328 -3.2426242029 -2.0998306819 Gaussian 16 13-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 scrf=(smd,Solvent=Water) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 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/water/CONF172/ #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=Wat 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=1/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point triflumizole_E CONF172 water Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 2111.0976940041 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 -0.0394465157 PCM SMD-Coulomb. Total charges None On-the-fly selection Water 78.355300 1.777849 0.000000 6.107821 0.000000 5.186767 2.171633 0.000000 6.087848 2.173662 2.168600 0.000000 7.259140 4.929004 6.671081 6.050791 0.000000 8.111548 4.016237 5.894892 4.484411 2.936448 0.000000 5.953721 2.924117 4.218783 2.948956 3.373369 2.295190 0.000000 10.324063 5.804786 7.802474 6.318417 4.247874 2.226668 4.505693 0.000000 6.747610 3.189588 4.942399 3.849299 2.373952 1.408233 1.273019 3.583341 0.000000 6.642279 3.517034 5.326965 4.806575 1.423021 2.475748 2.488261 4.207262 1.511784 0.000000 7.883687 5.775046 7.528378 7.197279 1.440548 4.162463 4.709577 5.075181 3.683681 2.398194 0.000000 4.551763 2.959086 3.673968 3.016028 3.794680 3.611329 1.404018 5.837995 2.335666 2.904473 4.970169 0.000000 7.106010 6.006023 7.464422 7.525395 2.479999 5.289980 5.257260 6.491989 4.476326 3.057923 1.524204 5.105155 0.000000 4.020307 2.378385 2.377680 2.382178 4.887004 4.580651 2.445685 6.760736 3.352855 3.769968 5.901533 1.406524 5.844975 0.000000 4.021773 4.270738 4.789147 4.322852 3.800392 4.373955 2.431139 6.535237 3.116403 3.368005 4.884748 1.399496 4.812195 2.413094 0.000000 2.723805 3.462198 2.711426 3.441706 5.761456 5.893744 3.719768 8.093604 4.594544 4.766971 6.623353 2.434271 6.262021 1.394096 2.789545 0.000000 8.762467 4.643814 6.299579 4.511814 4.223346 1.394155 2.829092 2.263253 2.502401 3.814297 5.491775 4.228080 6.635310 5.135493 5.032522 6.482344 0.000000 8.231782 7.284876 8.739772 8.946327 3.816316 6.599204 6.759975 7.509954 5.912789 4.457967 2.519095 6.614219 1.530576 7.274051 6.298710 7.603997 7.958233 0.000000 9.211506 4.889482 6.937522 5.675349 3.032069 1.381134 3.603508 1.308473 2.497180 2.913493 3.903654 4.827458 5.257672 5.764006 5.495228 7.047150 2.222694 6.346796 0.000000 5.221264 1.361089 1.351591 1.358797 5.507792 4.589708 2.878870 6.570155 3.634454 4.189130 6.494086 2.516710 6.605012 1.502443 3.792434 2.502592 5.008080 7.973396 5.697287 0.000000 2.731237 4.959722 4.968856 4.987448 4.868912 5.730282 3.706399 7.901736 4.421151 4.453147 5.732203 2.427265 5.308484 2.789200 1.389375 2.421656 6.396318 6.675230 6.824959 4.291480 0.000000 1.763178 4.619253 4.098677 4.616583 5.740214 6.359785 4.190775 8.578301 5.009255 5.038602 6.537529 2.788586 6.010513 2.398621 2.397768 1.387694 7.003206 7.318432 7.489907 3.773875 1.390553 0.000000 10.072923 5.665616 7.448552 5.689006 4.828022 2.193296 4.127598 1.392304 3.564414 4.621068 5.912596 5.527817 7.230718 6.426700 6.288030 7.786130 1.358907 8.409279 2.150739 6.198736 7.667253 8.311388 0.000000 7.358612 3.432920 5.440042 5.048995 2.085431 2.711088 3.197400 4.047854 2.139888 1.097705 2.577197 3.711944 3.315351 4.320831 4.364341 5.348701 4.066104 4.488943 2.775970 4.409780 5.382708 5.796959 4.665572 0.000000 5.664575 3.268757 4.779560 4.636529 2.089182 3.380317 2.626978 5.261479 2.134108 1.091007 2.803851 2.477024 2.889034 3.141749 2.832192 3.924314 4.621788 4.335274 3.980006 3.773469 3.679780 4.138288 5.568884 1.769739 0.000000 8.617648 6.755844 8.518181 8.044837 2.017422 4.624178 5.384635 5.228545 4.354092 3.280351 1.092432 5.724050 2.161604 6.777403 5.492477 7.497696 5.845350 2.748102 4.216771 7.430459 6.354972 7.299378 6.119621 3.522094 3.772039 0.000000 8.523274 5.674800 7.573365 7.285059 2.076304 4.186583 5.040289 4.805962 3.896535 2.599994 1.098266 5.436333 2.171878 6.234013 5.594868 7.044510 5.537036 2.791829 3.673963 6.588826 6.483170 7.144947 5.804834 2.295285 3.135695 1.774737 0.000000 6.561922 6.323512 7.594187 7.606614 2.681209 5.535235 5.218005 6.902854 4.621004 3.388610 2.142306 4.908110 1.095132 5.739159 4.326379 6.026683 6.796970 2.168427 5.686543 6.713054 4.697252 5.550036 7.497466 3.938971 3.090020 2.502346 3.063202 0.000000 6.486709 5.225557 6.587567 6.875659 2.774817 5.239041 4.939345 6.636079 4.265417 2.806484 2.157860 4.647600 1.094408 5.162867 4.525825 5.521900 6.598771 2.160158 5.346809 5.843716 4.930879 5.407565 7.299813 2.954756 2.352126 3.065386 2.503417 1.762718 0.000000 4.878573 4.981768 5.757612 5.049467 3.366115 4.149219 2.645178 6.162759 3.073088 3.329782 4.501348 2.144033 4.594307 3.392268 1.082892 3.872424 4.793830 6.067465 5.174336 4.657995 2.147441 3.382559 5.956188 4.414443 3.054305 4.921916 5.324150 4.009792 4.558465 0.000000 2.860362 3.710115 2.349457 3.664680 6.680021 6.708097 4.595555 8.863817 5.452199 5.595131 7.467196 3.414647 7.039176 2.153356 3.870532 1.081018 7.261672 8.303131 7.836620 2.706767 3.400033 2.148372 8.546495 6.040040 4.735134 8.393068 7.801440 6.874507 6.203848 4.953413 0.000000 8.345865 4.584571 5.930662 3.964482 4.801937 2.164469 2.629391 3.321267 2.808855 4.286068 6.163608 3.935018 7.165496 4.768584 4.761388 6.078195 1.075104 8.571450 3.247050 4.662349 6.067714 6.614295 2.230390 4.679722 4.908449 6.559701 6.316019 7.211546 7.060676 4.611985 6.835827 0.000000 8.878428 7.273783 8.841717 9.089775 4.150871 6.686305 7.063448 7.399276 6.116837 4.632113 2.781617 7.033216 2.179122 7.607408 6.916067 8.025691 8.064025 1.094644 6.276560 8.117789 7.372730 7.909238 8.407024 4.397581 4.613004 3.102040 2.605767 3.083042 2.521936 6.750531 8.655872 8.757247 0.000000 8.929694 8.107917 9.621491 9.664220 4.100266 6.935894 7.271424 7.657536 6.382068 5.017110 2.780434 7.214821 2.179145 8.015341 6.791191 8.383343 8.242617 1.094622 6.585372 8.772191 7.218767 8.007077 8.596560 5.123379 5.036580 2.558852 3.160671 2.524968 3.076778 6.397520 9.150322 8.893819 1.769006 0.000000 7.964463 7.685197 8.929155 9.355905 4.641077 7.432266 7.324676 8.497269 6.606373 5.148300 3.474312 6.982867 2.176153 7.514694 6.573139 7.649508 8.793194 1.093041 7.295848 8.285689 6.725967 7.269795 9.337297 5.227174 4.815701 3.756035 3.791297 2.515301 2.498655 6.438861 8.277737 9.331849 1.767377 1.768316 0.000000 9.240276 5.067880 7.178310 6.203205 2.589690 2.161423 4.066244 2.123845 2.819709 2.639320 3.113426 5.099840 4.507724 6.001544 5.669520 7.196014 3.253675 5.454823 1.076539 6.001176 6.917930 7.581200 3.199985 2.285507 3.709549 3.451114 2.706058 5.078552 4.645477 5.352993 7.973752 4.232518 5.296413 5.697115 6.436729 0.000000 2.874881 6.011270 6.021952 6.043684 5.274631 6.452556 4.576697 8.551721 5.192652 5.118015 6.022289 3.406591 5.479487 3.871666 2.148056 3.401978 7.124922 6.743461 7.480551 5.373909 1.082471 2.153755 8.353606 6.095177 4.375502 6.512220 6.887095 4.692015 5.250695 2.476387 4.293207 6.818679 7.559508 7.180542 6.710566 7.525953 0.000000 10.941592 6.514152 8.193339 6.313725 5.871924 3.248494 5.019582 2.161628 4.586950 5.694843 6.943906 6.417234 8.285751 7.278471 7.176666 8.639470 2.191718 9.444087 3.173630 6.980719 8.548889 9.185634 1.078314 5.730676 6.628318 7.085786 6.826139 8.533579 8.375652 6.829087 9.374057 2.745367 9.431614 9.589960 10.386988 4.184049 9.225196 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2641173 0.1598701 0.1166633 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= 1.12D-06 NBF= 1040 NBsUse= 1036 1.00D-06 EigRej= 9.64D-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= 1158 1158 1158 1158 1158 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.21040227041 -1580.28600450249 -0.075602232081 -1580.28597581937 0.000028683119 -1580.28658955059 -0.000613731220 -1580.28662747278 -0.000037922188 -1580.28663073201 -0.000003259232 -1580.28663187595 -0.000001143936 -1580.28663191330 -0.000000037349 -1580.28663192001 -0.000000006716 -1580.28663192079 -0.000000000782 -1580.28663192038 0.000000000416 -1580.28663192 11 1.574458465819e+03 -7.937918109214e+03 2.672104373115e+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. PT33328.199S Mon Dec 13 15:16:21 2021 GINC-DEPAZ13 PAULAPLA 13-Dec-2021 0 Single Point triflumizole_E CONF172 water 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.2866319 RMSD=7.934e-09 Dipole=-0.4168039,2.1005321,0.6139599 Quadrupole=-15.8479422,6.1152656,9.7326766,7.7858325,5.6684613,3.8557448 PG=C01 [X(C15H15Cl1F3N3O1)] 0 -4.893279178 1.816130497 -0.3470569486 0 -0.479331878 -1.8864730816 1.6810648945 0 -2.5919869366 -2.3872490411 1.6374341509 0 -1.2859238569 -3.0719452745 0.0473969686 0 2.3591443655 1.7569075732 -0.0405351308 0 2.6716860853 -1.0921784662 -0.679092078 0 0.4008203517 -0.8494422363 -0.9074400794 0 4.828740493 -1.6441096207 -0.6558489585 0 1.4728535463 -0.4203838758 -0.3715006914 0 1.5932727316 0.7381045581 0.5922915078 0 2.8380902798 2.7697002984 0.86502558 0 -0.8253448896 -0.1917276046 -0.7198314828 0 1.7388677798 3.6871962016 1.3876241544 0 -1.8318730861 -0.7534958962 0.0861637836 0 -1.1027488185 0.9936632401 -1.4101104386 0 -3.0766195547 -0.1369731371 0.2045283917 0 2.8228385492 -2.1510817473 -1.5732645607 0 2.3222814722 4.814642015 2.2427018702 0 3.926224266 -0.8359867865 -0.1613751687 0 -1.5544108933 -2.0134997056 0.856060698 0 -2.3418160894 1.6125050769 -1.300066892 0 -3.3178536889 1.0380181379 -0.493250537 0 4.1432875926 -2.470578971 -1.5421970633 0 2.0828020577 0.3920741299 1.5118456529 0 0.5941599591 1.0885502298 0.8554603487 0 3.5647974038 3.3416470317 0.2834914987 0 3.3683429142 2.2846830689 1.6955550199 0 1.1940790342 4.102601134 0.533247974 0 1.0219688095 3.109865302 1.9796324194 0 -0.3324799629 1.4282446529 -2.034994279 0 -3.8421100327 -0.5669230674 0.8352158723 0 1.9913681032 -2.5545270018 -2.1225700913 0 2.861500391 4.4152614693 3.1075628721 0 3.0224600138 5.4262218394 1.6648458925 0 1.5324782281 5.471558474 2.6160775234 0 4.1103165767 -0.0551278121 0.556472237 0 -2.5399134846 2.5326166 -1.8347584382 0 4.6490068328 -3.2426242029 -2.0998306819