Gaussian 16 GINC-PIMPOLLAR PAULAPLA Optimization triflumizole_E CONF359 octanol EM64L-G16RevC.01 22-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=n-Octanol) 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-2985509/Gau-18515.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2985509/" chk=/home/paulapla/almacen/ADAMA/censo_results/triflumizole_E/octanol/CONF359/o #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32201,71=1,72=25,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,70=32205,71=1,72=25,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=25/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization triflumizole_E CONF359 octanol 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 1.7303 1.3408 1.3376 1.3355 1.3949 1.4122 1.3956 1.3815 1.3697 1.2611 1.3887 1.2948 1.3745 1.5059 1.1006 1.0961 1.5133 1.0986 1.0993 1.4005 1.3932 1.5217 1.0929 1.0936 1.3885 1.4984 1.3825 1.0819 1.383 1.0808 1.3544 1.075 1.0908 1.0897 1.0919 1.0776 1.3849 1.0815 1.0785 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 38 113.2252 128.1788 125.2855 106.5141 123.6102 105.8724 117.1626 116.1001 126.7372 107.9464 112.2484 112.1426 108.9318 109.1925 106.3153 109.1111 110.3029 110.1955 110.1112 110.1011 107.003 121.6715 119.4441 118.6894 113.7775 107.0684 109.4534 109.8436 110.1657 106.2169 120.367 119.6598 119.9715 121.0694 119.2405 119.686 119.6917 120.769 119.5393 105.4013 123.6192 130.977 110.747 111.9346 111.3958 107.4057 107.4472 107.6996 111.6433 121.9055 126.4488 106.8167 106.7356 111.6759 106.8674 112.1421 112.241 119.4102 119.8372 120.7522 119.4382 119.7906 120.7706 110.5666 121.8454 127.5877 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 11 11 11 10 10 10 17 17 19 19 9 9 19 19 9 9 17 17 12 12 9 9 23 23 19 19 6 6 6 7 7 7 5 5 5 26 26 26 27 27 27 7 7 15 15 7 7 14 14 11 11 11 28 28 28 29 29 29 12 12 20 20 12 12 12 16 16 16 12 12 30 30 14 14 31 31 6 6 32 32 15 15 37 37 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 21 21 21 21 10 10 10 11 11 11 9 9 9 9 17 17 17 17 19 19 19 19 9 9 12 12 19 19 23 23 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 18 18 18 18 18 18 18 18 18 16 16 16 16 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 22 22 22 22 9 24 25 13 26 27 7 10 7 10 23 32 23 32 8 36 8 36 6 10 14 15 6 36 17 38 5 24 25 5 24 25 18 28 29 18 28 29 18 28 29 16 20 16 20 21 30 21 30 33 34 35 33 34 35 33 34 35 22 31 22 31 2 3 4 2 3 4 22 37 22 37 1 21 1 21 8 38 8 38 1 16 1 16 177.9912 -61.9452 57.6686 179.6435 58.5658 -59.3586 -168.5112 11.59 9.5644 -170.3344 178.1697 -1.305 -0.192 -179.6667 -178.553 1.9798 -0.1307 -179.5979 -179.6951 0.1914 94.2626 -90.8803 0.3913 179.8291 -0.5197 179.6851 54.729 -67.4008 176.8864 -125.1586 112.7116 -3.0012 59.8482 -178.5976 -63.8718 -178.9573 -57.4031 57.3227 -61.2073 60.347 175.0727 175.3845 -5.0856 0.4898 -179.9803 -175.4701 3.7937 -0.4592 178.8046 176.4545 -63.7183 56.9317 56.4556 176.2828 -63.0672 -60.2128 59.6144 -179.7356 -0.2997 179.6527 -179.8282 0.1243 -62.6958 57.1617 177.4823 116.836 -123.3065 -2.986 0.235 -179.9897 -179.0256 0.7498 -179.6539 0.0684 0.3931 -179.8846 0.4375 -179.7822 179.858 -0.3616 179.6867 -0.0347 -0.0866 -179.808 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2162.8495663195 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= 1.48D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 9.30D-07 NBFU= 602 Berny optimization. local minimum Step number 14 out of a maximum of 199 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00356 0.00425 0.00524 0.00653 0.00873 0.00976 0.01453 0.01644 0.01745 0.01942 0.02061 0.02226 0.02242 0.02261 0.02272 0.02299 0.02300 0.02316 0.02350 0.02441 0.02464 0.02545 0.03233 0.03609 0.04332 0.04881 0.05414 0.05565 0.05610 0.05655 0.06333 0.07153 0.07871 0.08536 0.10628 0.11244 0.11367 0.12266 0.12318 0.13698 0.14223 0.15315 0.15902 0.15997 0.16000 0.16003 0.16005 0.16020 0.16031 0.16055 0.20919 0.21830 0.22234 0.22357 0.23392 0.23406 0.23670 0.24120 0.24581 0.24945 0.24998 0.25003 0.25019 0.25065 0.25283 0.26604 0.27876 0.30137 0.30433 0.30798 0.31347 0.31844 0.33135 0.33442 0.33655 0.33827 0.33992 0.34271 0.34469 0.34537 0.34652 0.34831 0.35433 0.35770 0.35828 0.36110 0.36265 0.36391 0.36715 0.40064 0.43258 0.44220 0.44352 0.45749 0.45895 0.47235 0.47645 0.47877 0.48042 0.48432 0.50063 0.50791 0.53386 0.56580 0.57547 0.58421 0.66017 0.82059 -2.46932913e-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 3.33196 2.56962 2.56498 2.55552 2.67362 2.71118 2.66234 2.63479 2.61045 2.39967 2.64810 2.46932 2.62574 2.85871 2.08010 2.06782 2.86967 2.07671 2.07783 2.65994 2.64521 2.89156 2.07067 2.07063 2.63508 2.84174 2.62539 2.04725 2.62233 2.04316 2.57107 2.03159 2.06724 2.06528 2.07010 2.03602 2.62839 2.04640 2.03903 1.96859 2.22916 2.19561 1.85817 2.14237 1.84757 2.05183 2.02399 2.20732 1.89153 1.94284 1.94002 1.90386 1.90404 1.88106 1.89429 1.90706 1.90740 1.93689 1.93175 1.88622 2.11494 2.09594 2.06905 1.97684 1.87517 1.89754 1.92192 1.92393 1.86443 2.10619 2.09134 2.08548 2.11290 2.07586 2.09443 2.08189 2.09911 2.10219 1.84315 2.13958 2.30042 1.93645 1.94106 1.93651 1.88312 1.88227 1.88205 1.94696 2.12187 2.21429 1.85409 1.85688 1.95807 1.85713 1.96418 1.96524 2.08144 2.09736 2.10439 2.08108 2.08733 2.11478 1.92891 2.12293 2.23133 -3.13787 -1.04412 1.05306 -3.08828 1.08059 -0.98003 -2.91928 0.23204 0.19507 -2.93680 3.11377 -0.03601 -0.00478 3.12862 -3.11859 0.03488 0.00053 -3.12918 -3.13237 -0.00165 1.76041 -1.46908 0.00387 3.13281 -0.00707 3.13976 0.96704 -1.15091 3.08166 -2.16383 2.00141 -0.04921 1.10103 -3.05571 -1.04398 -3.08631 -0.95987 1.05186 -0.99210 1.13434 -3.13711 3.07328 -0.08841 0.01827 3.13976 -3.07193 0.06811 -0.01594 3.12410 3.11407 -1.07292 1.02197 1.01400 3.11020 -1.07810 -1.03877 1.05743 -3.13087 -0.01015 3.12901 -3.13171 0.00745 -1.04904 1.04087 3.13987 2.07269 -2.12059 -0.02159 0.00551 -3.13501 -3.13452 0.00815 -3.14123 -0.00067 0.00279 -3.13983 0.00733 -3.13991 -3.12501 0.01094 -3.13961 0.00302 0.00090 -3.13966 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 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 0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00002 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 -0.00002 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00002 0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00002 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00009 0.00009 0.00008 -0.00001 -0.00000 -0.00000 -0.00025 -0.00024 -0.00023 -0.00022 0.00003 -0.00001 0.00002 -0.00002 0.00000 -0.00004 0.00001 -0.00003 -0.00001 -0.00002 -0.00004 -0.00005 -0.00004 0.00001 0.00005 0.00002 0.00011 0.00010 0.00010 0.00012 0.00011 0.00011 0.00005 0.00007 0.00006 0.00004 0.00006 0.00005 0.00006 0.00008 0.00007 -0.00001 0.00002 0.00000 0.00003 0.00000 0.00000 -0.00001 -0.00000 0.00002 0.00001 0.00002 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00000 -0.00002 -0.00002 -0.00001 -0.00000 -0.00001 0.00001 0.00003 0.00002 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00004 -0.00001 0.00000 0.00004 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00002 -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 -0.00002 0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00002 -0.00000 0.00001 0.00002 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -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 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00002 0.00001 -0.00000 0.00001 -0.00002 0.00002 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00002 -0.00001 0.00001 0.00002 0.00002 0.00002 -0.00003 -0.00011 -0.00006 -0.00014 -0.00007 -0.00004 -0.00004 -0.00001 -0.00003 0.00004 -0.00006 0.00001 -0.00014 -0.00005 0.00014 0.00014 0.00012 0.00005 -0.00015 -0.00006 0.00012 0.00013 0.00011 0.00003 0.00004 0.00002 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00001 -0.00003 -0.00002 -0.00003 -0.00002 0.00002 0.00001 0.00003 0.00001 0.00005 0.00005 0.00005 0.00005 0.00004 0.00004 0.00005 0.00004 0.00004 0.00002 0.00001 0.00000 -0.00001 0.00004 0.00001 0.00002 0.00006 0.00002 0.00004 -0.00000 -0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00002 0.00011 0.00002 0.00008 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00003 -0.00000 0.00001 0.00001 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00003 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 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00002 -0.00000 0.00000 -0.00002 -0.00000 -0.00002 0.00001 0.00002 0.00001 0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00000 -0.00002 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00007 0.00009 0.00009 0.00001 0.00002 0.00002 -0.00027 -0.00034 -0.00030 -0.00037 -0.00004 -0.00004 -0.00002 -0.00002 -0.00003 0.00000 -0.00005 -0.00002 -0.00015 -0.00008 0.00009 0.00009 0.00009 0.00006 -0.00010 -0.00004 0.00023 0.00023 0.00021 0.00015 0.00015 0.00014 0.00006 0.00008 0.00006 0.00005 0.00007 0.00005 0.00008 0.00010 0.00008 -0.00004 0.00000 -0.00003 0.00001 0.00002 0.00002 0.00002 0.00001 0.00007 0.00006 0.00007 0.00004 0.00003 0.00004 0.00006 0.00005 0.00006 0.00002 0.00001 -0.00002 -0.00003 0.00003 0.00001 0.00001 0.00007 0.00005 0.00006 0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00007 0.00001 0.00008 0.00002 -0.00000 -0.00001 -0.00000 -0.00001 3.33197 2.56961 2.56497 2.55551 2.67363 2.71120 2.66233 2.63480 2.61046 2.39968 2.64811 2.46932 2.62575 2.85871 2.08011 2.06782 2.86966 2.07671 2.07783 2.65994 2.64521 2.89155 2.07068 2.07064 2.63508 2.84176 2.62539 2.04725 2.62233 2.04316 2.57107 2.03159 2.06725 2.06528 2.07010 2.03602 2.62840 2.04640 2.03903 1.96859 2.22915 2.19562 1.85816 2.14238 1.84757 2.05184 2.02400 2.20731 1.89151 1.94284 1.94001 1.90388 1.90404 1.88106 1.89427 1.90706 1.90738 1.93690 1.93177 1.88623 2.11494 2.09592 2.06906 1.97685 1.87518 1.89752 1.92193 1.92393 1.86442 2.10618 2.09136 2.08548 2.11290 2.07585 2.09443 2.08189 2.09911 2.10218 1.84315 2.13958 2.30042 1.93645 1.94106 1.93652 1.88311 1.88227 1.88205 1.94696 2.12187 2.21429 1.85408 1.85688 1.95808 1.85715 1.96416 1.96524 2.08143 2.09736 2.10439 2.08108 2.08732 2.11478 1.92891 2.12293 2.23133 -3.13780 -1.04404 1.05315 -3.08827 1.08061 -0.98001 -2.91955 0.23170 0.19477 -2.93716 3.11373 -0.03606 -0.00480 3.12860 -3.11861 0.03488 0.00049 -3.12920 -3.13252 -0.00173 1.76050 -1.46899 0.00396 3.13287 -0.00717 3.13972 0.96727 -1.15068 3.08187 -2.16368 2.00156 -0.04907 1.10109 -3.05562 -1.04392 -3.08626 -0.95979 1.05192 -0.99203 1.13444 -3.13703 3.07324 -0.08841 0.01823 3.13977 -3.07191 0.06813 -0.01592 3.12411 3.11414 -1.07286 1.02203 1.01405 3.11023 -1.07806 -1.03871 1.05748 -3.13081 -0.01013 3.12902 -3.13173 0.00742 -1.04901 1.04088 3.13988 2.07276 -2.12054 -0.02153 0.00551 -3.13501 -3.13451 0.00816 -3.14124 -0.00067 0.00280 -3.13982 0.00740 -3.13990 -3.12493 0.01095 -3.13962 0.00301 0.00090 -3.13967 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.001259 0.000218 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.541117e-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 1.3598 1.3573 1.3523 1.4148 1.4347 1.4088 1.3943 1.3814 1.2699 1.4013 1.3067 1.3895 1.5128 1.1007 1.0942 1.5186 1.0989 1.0995 1.4076 1.3998 1.5301 1.0958 1.0957 1.3944 1.5038 1.3893 1.0834 1.3877 1.0812 1.3606 1.0751 1.0939 1.0929 1.0954 1.0774 1.3909 1.0829 1.079 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 38 112.7919 127.7212 125.7995 106.4651 122.749 105.858 117.5613 115.966 126.47 108.3765 111.3167 111.1547 109.0833 109.0935 107.7765 108.535 109.2665 109.2859 110.9757 110.6812 108.0723 121.1771 120.0884 118.5479 113.2645 107.4392 108.7209 110.1182 110.2331 106.8241 120.6756 119.8252 119.4893 121.0601 118.9378 120.0021 119.2832 120.2702 120.4464 105.6045 122.5889 131.8045 110.9503 111.2145 110.9539 107.895 107.8464 107.8335 111.5524 121.5741 126.8696 106.2314 106.3914 112.1892 106.406 112.539 112.5998 119.2575 120.1698 120.5727 119.2369 119.5951 121.1679 110.5183 121.635 127.8458 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -179.7868 -59.8237 60.3358 -176.9455 61.9134 -56.1514 -167.2625 13.295 11.1766 -168.266 178.4057 -2.0632 -0.2741 179.2569 -178.6819 1.9985 0.0306 -179.289 -179.4715 -0.0947 100.864 -84.1722 0.2216 179.497 -0.4049 179.895 55.4074 -65.9422 176.5661 -123.9781 114.6723 -2.8194 63.0846 -175.0791 -59.8156 -176.8326 -54.9964 60.2672 -56.8432 64.9931 -179.7433 176.086 -5.0657 1.0465 179.8948 -176.0086 3.9026 -0.9135 178.9977 178.4231 -61.4737 58.5543 58.0982 178.2014 -61.7706 -59.5169 60.5864 -179.3857 -0.5817 179.2792 -179.4338 0.4271 -60.1056 59.6373 179.9013 118.7564 -121.5007 -1.2367 0.3155 -179.6227 -179.5948 0.4671 -179.9793 -0.0385 0.16 -179.8992 0.42 -179.9034 -179.0499 0.6267 -179.8865 0.1729 0.0514 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0402317378 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 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 6.014144 0.000000 6.070664 2.150510 0.000000 5.151174 2.147667 2.146947 0.000000 7.587866 3.020684 4.625406 5.128833 0.000000 8.065501 3.919077 4.146493 5.696387 2.812813 0.000000 5.897599 3.005473 2.848411 4.194942 3.400447 2.268250 0.000000 9.922143 5.571009 5.244526 7.144297 4.720005 2.204663 4.034143 0.000000 6.728042 3.066373 3.550923 4.772835 2.346902 1.395609 1.261079 3.539460 0.000000 6.689690 3.181789 4.431384 5.068498 1.394888 2.462657 2.475865 4.641228 1.505905 0.000000 7.955304 3.853203 5.750391 5.829798 1.412208 4.162139 4.641187 6.009860 3.645392 2.343858 0.000000 4.511920 2.976661 2.940573 3.645316 3.951251 3.586580 1.388659 5.421716 2.336113 2.930943 4.937099 0.000000 9.123372 4.396445 6.335035 6.335681 2.384069 4.960498 5.727923 6.463270 4.720162 3.659774 1.513300 6.126663 0.000000 3.986791 2.350931 2.354806 2.354438 4.327103 4.480638 2.435605 6.245630 3.267100 3.650066 5.174292 1.400536 6.181289 0.000000 3.983602 4.272818 4.251027 4.756799 4.820956 4.428499 2.402386 6.249168 3.208707 3.574659 5.636275 1.393200 6.984554 2.403315 0.000000 2.694242 3.402045 3.447906 2.698470 5.408076 5.810289 3.697662 7.608773 4.532686 4.696560 6.028733 2.419874 7.062171 1.388543 2.771440 0.000000 9.203176 4.854413 5.381831 6.811910 2.922339 1.381512 3.578885 2.243170 2.497964 2.934434 4.035597 4.818530 4.642041 5.704114 5.550506 7.004923 0.000000 8.972258 3.763875 5.688587 5.483970 2.925228 5.282338 5.801219 6.665386 5.001450 4.225339 2.542166 6.130155 1.521713 5.879857 7.183131 6.738110 5.227830 0.000000 8.639679 4.517714 4.110406 6.005640 4.052540 1.369660 2.768805 1.294768 2.456026 3.765416 5.433988 4.149962 6.078264 4.974034 5.029764 6.328375 2.204601 6.200238 0.000000 5.189734 1.340795 1.337618 1.335481 4.124587 4.402940 2.875733 5.938605 3.460810 3.912887 5.029935 2.506685 5.709014 1.498359 3.777873 2.500375 5.567236 5.092055 4.758247 0.000000 2.700574 4.931294 4.941988 4.939817 5.809599 5.766964 3.674246 7.607691 4.488548 4.636768 6.429071 2.416697 7.774437 2.779400 1.382520 2.406377 6.876795 7.901246 6.368775 4.277753 0.000000 1.730289 4.570318 4.608744 4.081267 6.054328 6.341992 4.167758 8.194979 5.018072 5.104497 6.597570 2.781638 7.802224 2.396513 2.389535 1.383025 7.503140 7.695122 6.914797 3.769824 1.384936 0.000000 10.236325 5.742587 5.914428 7.583005 4.157688 2.176437 4.403104 1.374542 3.542924 4.241258 5.273322 5.751390 5.667693 6.621941 6.514106 7.970949 1.354414 6.121207 2.130558 6.360510 7.877519 8.512655 0.000000 7.180838 4.280605 5.432985 6.123531 2.078333 2.790533 3.125329 4.841557 2.134112 1.100570 2.662344 3.599080 4.041570 4.520673 3.896923 5.469206 2.917516 4.912944 4.127526 4.956237 4.963852 5.649980 4.245766 0.000000 5.710125 2.991643 4.358314 4.598607 2.073545 3.374107 2.621202 5.575940 2.134091 1.096067 2.626482 2.508086 4.022305 3.047913 3.017029 3.872239 4.011286 4.456423 4.572493 3.564752 3.848037 4.205397 5.294977 1.757945 0.000000 8.392392 4.807690 6.591942 6.778715 2.068326 4.423831 5.075712 6.232125 3.999216 2.611335 1.098619 5.407943 2.154147 5.852776 5.896453 6.671877 4.074141 3.485559 5.758407 5.901602 6.709111 7.056479 5.333321 2.451107 2.972847 0.000000 7.181043 3.677783 5.697381 5.411356 2.067492 4.785597 4.756712 6.780692 3.978972 2.615978 1.099252 4.735978 2.154495 4.788060 5.351392 5.430487 4.896323 2.809486 6.047832 4.761873 5.933739 5.962935 6.172375 3.036906 2.417799 1.766808 0.000000 9.551232 5.254881 7.281834 7.072220 3.306562 5.959520 6.644312 7.492573 5.649525 4.443511 2.110809 6.922759 1.092942 6.939091 7.672858 7.685636 5.581272 2.153893 7.123266 6.545736 8.353900 8.353321 6.624962 4.689602 4.668299 2.426275 2.445906 0.000000 9.943972 4.977547 6.721501 7.014777 2.665905 4.795000 5.980413 6.007742 4.862193 3.965477 2.142073 6.594507 1.093635 6.795052 7.469038 7.798774 4.205499 2.158487 5.837170 6.283238 8.391208 8.532454 5.078687 4.209916 4.570589 2.462760 3.055583 1.748766 0.000000 4.836662 5.007579 4.962626 5.726147 5.016774 4.276301 2.618757 5.988492 3.240103 3.661154 5.856083 2.141080 7.259015 3.383650 1.081940 3.853298 5.282715 7.637470 4.868423 4.645096 2.136244 3.370241 6.196950 3.701159 3.324318 5.940794 5.711340 7.947569 7.626057 0.000000 2.823728 3.638201 3.708749 2.353740 5.989160 6.601551 4.582418 8.342967 5.367060 5.470130 6.511448 3.403923 7.389684 2.152132 3.852144 1.080800 7.779242 6.878254 7.080166 2.715228 3.380188 2.134196 8.725167 6.315902 4.637552 7.250666 5.836205 7.965099 8.192695 4.933988 0.000000 9.298736 5.072623 5.968444 7.135946 2.554621 2.169959 4.066920 3.296464 2.846613 2.704290 3.370491 5.132160 4.007835 5.996953 5.762960 7.215771 1.074994 4.865793 3.236490 5.932286 7.019103 7.653522 2.213502 2.448740 3.787811 3.203016 4.307072 4.836066 3.538396 5.487327 7.983452 0.000000 9.958878 4.683225 6.505239 6.261159 3.929575 6.142529 6.809487 7.304403 5.997495 5.270712 3.481347 7.181822 2.163660 6.882244 8.262733 7.722479 5.966606 1.090789 6.970896 5.987203 8.974771 8.723460 6.725078 5.909771 5.542832 4.302114 3.783448 2.476455 2.505155 8.716484 7.785914 5.600355 0.000000 8.788534 3.124832 4.838975 4.914971 2.679665 4.578272 5.147779 5.820659 4.411547 3.947409 2.854107 5.612132 2.177577 5.372071 6.784046 6.369181 4.647750 1.089684 5.345494 4.436239 7.597921 7.407919 5.430074 4.757691 4.291351 3.849898 3.237444 3.072694 2.518426 7.241300 6.540317 4.497791 1.757369 0.000000 8.280773 3.502997 5.553083 4.951894 3.281449 5.757781 5.860427 7.328020 5.225595 4.382015 2.795861 5.940573 2.172600 5.497841 6.951225 6.171719 5.902426 1.091911 6.702013 4.753335 7.496706 7.140235 6.886111 5.145254 4.340340 3.797704 2.618934 2.528358 3.074310 7.525102 6.196581 5.557889 1.759633 1.761580 0.000000 8.173347 4.409098 3.507857 5.550690 4.632060 2.144159 2.560628 2.120278 2.754763 4.220836 6.042468 3.828167 6.733228 4.557560 4.738648 5.870800 3.233013 6.686630 1.077626 4.351551 6.009358 6.480949 3.183067 4.710606 4.833234 6.464514 6.513181 7.788493 6.613898 4.679575 6.593076 4.220886 7.483009 5.776568 7.063249 0.000000 2.855522 5.983849 5.994071 5.994150 6.615351 6.520410 4.537692 8.325893 5.289430 5.370366 7.153773 3.392760 8.560083 3.860904 2.137500 3.388751 7.560027 8.800989 7.129662 5.359260 1.081521 2.149302 8.558349 5.516291 4.596327 7.305600 6.646814 9.077406 9.165888 2.456475 4.274412 7.653473 9.881762 8.552148 8.396928 6.796888 0.000000 11.280339 6.692742 6.929721 8.575257 4.901448 3.231311 5.472902 2.148700 4.568664 5.113297 5.860462 6.811295 6.089026 7.679663 7.538674 9.026295 2.186240 6.624880 3.154646 7.380202 8.902332 9.561270 1.078506 5.005261 6.195267 5.816885 6.841129 6.977220 5.341713 7.171513 9.771026 2.717555 7.105869 5.998344 7.486683 4.169727 9.551843 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3344165 0.1465577 0.1314961 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6.082639 0.000000 6.113256 2.173281 0.000000 5.184909 2.171550 2.169790 0.000000 7.572863 3.252948 4.911596 5.337311 0.000000 8.128132 3.945736 4.290882 5.786656 2.847806 0.000000 5.953764 2.984185 2.903280 4.224213 3.426623 2.291927 0.000000 10.036188 5.515155 5.337507 7.191187 4.755435 2.223040 4.086574 0.000000 6.767922 3.139661 3.704640 4.875949 2.374796 1.408847 1.269853 3.573723 0.000000 6.689844 3.397107 4.654031 5.249580 1.414819 2.477818 2.486895 4.670916 1.512762 0.000000 7.940084 4.201764 6.102661 6.137598 1.434692 4.202899 4.689810 6.047047 3.687606 2.373332 0.000000 4.554506 2.987993 2.989328 3.676504 3.956450 3.615804 1.401316 5.487064 2.345517 2.927344 4.965531 0.000000 9.037421 4.653332 6.667309 6.577518 2.397814 5.026018 5.761524 6.532885 4.763561 3.688317 1.518566 6.122040 0.000000 4.022344 2.378002 2.380858 2.377630 4.414584 4.532459 2.446876 6.300070 3.318272 3.732818 5.314599 1.407581 6.261339 0.000000 4.022914 4.295481 4.299790 4.790073 4.739669 4.441838 2.426903 6.336948 3.182620 3.478596 5.543064 1.399784 6.873976 2.413271 0.000000 2.724813 3.440816 3.461470 2.710242 5.461314 5.861564 3.719615 7.675303 4.575922 4.752856 6.128548 2.434834 7.091663 1.394424 2.788185 0.000000 9.252863 4.950348 5.579577 6.954475 2.969082 1.394272 3.609009 2.259871 2.516438 2.949186 4.069063 4.848184 4.737414 5.777277 5.537856 7.069365 0.000000 8.752181 3.962058 6.045004 5.667092 2.957447 5.424806 5.837329 6.862411 5.068704 4.242090 2.546165 6.081975 1.530149 5.887669 7.023701 6.659809 5.431620 0.000000 8.746820 4.436580 4.173717 6.028431 4.082377 1.381388 2.812969 1.306707 2.483929 3.791961 5.475472 4.207836 6.133503 5.013030 5.117305 6.382248 2.223516 6.348611 0.000000 5.223516 1.359784 1.357329 1.352322 4.329337 4.480247 2.884991 5.973500 3.555017 4.088220 5.317273 2.519552 5.937147 1.503782 3.794684 2.504044 5.694675 5.279752 4.767383 0.000000 2.732354 4.965958 4.981360 4.968468 5.726676 5.787903 3.703083 7.701249 4.475228 4.553774 6.327943 2.428217 7.639114 2.789700 1.389296 2.420340 6.871044 7.685045 6.460405 4.293432 0.000000 1.763198 4.606943 4.629975 4.097880 6.026126 6.374633 4.190747 8.274204 5.028757 5.083741 6.580496 2.791317 7.726145 2.400624 2.398650 1.387676 7.527431 7.509479 6.986986 3.776527 1.390885 0.000000 10.316529 5.776737 6.081117 7.694186 4.196710 2.194461 4.448075 1.389484 3.571350 4.262268 5.300884 5.801025 5.755031 6.692658 6.548233 8.041290 1.360554 6.347378 2.151840 6.456878 7.917126 8.563983 0.000000 7.202943 4.495749 5.635771 6.306842 2.084613 2.794592 3.148845 4.859922 2.142173 1.100742 2.656663 3.616103 4.060871 4.615558 3.820673 5.545996 2.900225 4.923666 4.151834 5.127531 4.900761 5.653254 4.241345 0.000000 5.697582 3.239288 4.570113 4.791466 2.077621 3.387669 2.626022 5.606460 2.137469 1.094245 2.655258 2.493738 4.024044 3.138920 2.889743 3.932520 4.024398 4.397779 4.599452 3.751001 3.735699 4.171547 5.315689 1.773267 0.000000 8.444669 5.146045 6.911256 7.091386 2.075210 4.412268 5.117803 6.195842 4.020916 2.646549 1.098946 5.457031 2.169911 6.017399 5.833173 6.817769 4.026511 3.498777 5.745518 6.184350 6.654850 7.096121 5.272387 2.453388 3.044930 0.000000 7.134720 4.107033 6.077967 5.786951 2.075904 4.809725 4.786411 6.815458 3.997356 2.602652 1.099542 4.742547 2.166662 4.942207 5.203556 5.539368 4.907405 2.785484 6.085510 5.097333 5.775086 5.918200 6.188862 2.972742 2.405956 1.779430 0.000000 9.519366 5.595054 7.664878 7.407491 3.328758 6.007814 6.698065 7.528449 5.698846 4.482495 2.122282 6.954961 1.095753 7.082335 7.583435 7.787273 5.630237 2.166895 7.163348 6.846556 8.247066 8.330683 6.660152 4.701376 4.705658 2.436035 2.497664 0.000000 9.846079 5.084604 6.932586 7.129605 2.630501 4.802863 5.957563 6.005190 4.855468 3.972323 2.138874 6.545318 1.095731 6.802790 7.349727 7.771726 4.269638 2.168334 5.815260 6.393708 8.254981 8.433659 5.120897 4.241686 4.556443 2.489518 3.061264 1.759637 0.000000 4.879122 5.020252 5.016348 5.760119 4.880320 4.267833 2.640790 6.083192 3.179819 3.497840 5.684123 2.144895 7.093027 3.393296 1.083358 3.871515 5.228974 7.449707 4.967662 4.661544 2.146860 3.383154 6.210590 3.540601 3.131297 5.782131 5.470277 7.781469 7.467917 0.000000 2.861742 3.671265 3.698013 2.344922 6.072319 6.651559 4.595671 8.391447 5.415975 5.553933 6.662585 3.414793 7.460305 2.152518 3.869369 1.081193 7.853405 6.827345 7.113358 2.705834 3.399259 2.148295 8.794036 6.419481 4.733386 7.449111 6.021340 8.126102 8.189495 4.952705 0.000000 9.300403 5.221913 6.184453 7.301025 2.594039 2.171282 4.072995 3.316071 2.843169 2.696412 3.389172 5.129881 4.114461 6.060464 5.689607 7.261509 1.075073 5.061808 3.250791 6.079970 6.951216 7.635392 2.226416 2.398705 3.777173 3.137090 4.288168 4.885917 3.655882 5.353247 8.051564 0.000000 9.718971 4.801744 6.811624 6.386199 3.946891 6.262966 6.823135 7.477643 6.046053 5.283892 3.492180 7.116227 2.176023 6.859398 8.098214 7.617357 6.161338 1.093937 7.088745 6.121153 8.752306 8.522183 6.941655 5.926912 5.487704 4.326676 3.784314 2.504599 2.515193 8.529391 7.699808 5.801548 0.000000 8.471065 3.123214 5.099151 4.923862 2.673421 4.731518 5.127084 6.068023 4.443695 3.916916 2.829220 5.479902 2.178545 5.252756 6.565765 6.159318 4.899405 1.092899 5.511959 4.474551 7.313562 7.121871 5.724637 4.744603 4.154732 3.843690 3.157740 3.081195 2.525321 7.023560 6.334890 4.737386 1.768009 0.000000 8.066524 3.887852 6.047631 5.305881 3.351791 5.943632 5.957657 7.576836 5.340068 4.418343 2.804047 5.945532 2.177208 5.592333 6.806566 6.159021 6.117239 1.095448 6.914404 5.087466 7.282910 6.977869 7.133564 5.145149 4.298355 3.798367 2.594731 2.528612 3.082349 7.337067 6.233804 5.735148 1.769524 1.768540 0.000000 8.304427 4.243882 3.476326 5.505882 4.648709 2.151194 2.607113 2.134885 2.778962 4.244198 6.079374 3.896663 6.763855 4.574373 4.871393 5.915842 3.250200 6.790463 1.077415 4.290828 6.144597 6.573555 3.205557 4.741895 4.859053 6.460700 6.552531 7.818382 6.556927 4.846084 6.602657 4.230891 7.548687 5.875483 7.250329 0.000000 2.875927 6.019697 6.036373 6.022009 6.493813 6.537197 4.572819 8.433896 5.266054 5.252118 6.988250 3.407694 8.366936 3.872606 2.148261 3.401208 7.536051 8.528838 7.237822 5.376335 1.082908 2.153938 8.592778 5.411173 4.444442 7.186008 6.405293 8.897364 8.991666 2.475252 4.293099 7.551954 9.606630 8.230999 8.105536 6.963374 0.000000 11.355284 6.740460 7.106411 8.697664 4.942490 3.250589 5.517710 2.160480 4.597473 5.134611 5.884026 6.859594 6.188036 7.753494 7.565930 9.097987 2.194716 6.879874 3.175072 7.486408 8.934193 9.608836 1.079009 4.997633 6.215541 5.741839 6.852992 7.010470 5.410813 7.174836 9.843939 2.739685 7.362713 6.337507 7.749086 4.192194 9.575076 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3196539 0.1434215 0.1310313 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= 621 621 621 621 621 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 2140.3268558743 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 -0.0395714683 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2145.3233046288 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 -0.0399750010 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2139.6569670308 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 -0.0396233655 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2141.9047740945 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 -0.0397278939 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2140.3758666398 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 -0.0396487229 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2140.3842137683 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 -0.0396556902 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2140.3979565341 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 -0.0396555698 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2140.3167968800 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 -0.0396566321 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2140.1686009306 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 -0.0396521908 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2140.0352569157 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 -0.0396467043 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2140.0568984053 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 -0.0396478911 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2140.1048432012 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 -0.0396506453 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2140.1057247049 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 -0.0396506615 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 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= 1.59D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 8.91D-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= 622 622 622 622 622 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1579.69705276488 -1579.89320941465 -0.196156649773 -1580.17482953246 -0.281620117810 -1580.19765889586 -0.022829363396 -1580.20962845090 -0.011969555037 -1580.21015212479 -0.000523673893 -1580.21021570427 -0.000063579477 -1580.21022276718 -0.000007062909 -1580.21022310900 -0.000000341824 -1580.21022318479 -0.000000075795 -1580.21022318935 -0.000000004559 -1580.21022318998 -0.000000000630 -1580.21022318999 -0.000000000003 -1580.21022318998 0.000000000003 -1580.21022318997 0.000000000015 -1580.21022319 15 1.575514161441e+03 -8.042312440241e+03 2.723781648587e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323822737 LenY= 11323428981 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 4.72332285e-01 1.27066797e+00 -2.86954653e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 -0.014142915 0.004929678 -0.000235514 0.013455764 0.009117075 -0.002794502 0.006114763 -0.015522672 -0.001906715 -0.008861307 0.001984229 -0.013312163 0.005005266 -0.003965529 -0.005656076 -0.001474559 0.002297663 -0.000183069 -0.002818867 -0.008160090 0.000251614 0.008710015 -0.012956585 -0.000571855 0.000038709 0.005458876 0.001517678 -0.008259574 -0.001246205 0.008236772 0.001039363 0.011881107 -0.000405483 -0.001137070 0.001221313 0.000716364 0.002395278 0.001928416 -0.000132443 -0.001634772 -0.000311734 0.000458155 0.000684249 -0.000531341 0.004812085 -0.002917010 0.001040287 -0.004693255 0.006226874 0.008750379 0.003464528 -0.000462960 -0.000824638 -0.003253925 -0.012801682 -0.008681701 -0.003850694 -0.008284218 0.003559380 0.010916137 -0.001093223 0.000590604 0.005203316 0.007063299 -0.002353947 -0.000249606 0.012351158 0.003247769 0.002254209 0.002301742 0.000307903 0.000423772 0.000056361 -0.000447161 -0.001782649 0.000515160 -0.000984386 0.001731097 -0.001840380 -0.001194225 -0.000460791 0.000053047 0.002149356 -0.000096682 0.000941132 -0.001562076 0.000847370 0.001149964 -0.000204167 0.000546160 0.000790630 -0.000413294 -0.001212420 -0.001557716 0.000330807 -0.000725331 0.001547778 0.000753081 -0.001672963 -0.000196336 -0.002163315 0.001041605 -0.002379771 0.000832974 0.000113660 -0.000265116 0.000751857 -0.000114315 -0.000949364 0.000412563 0.000725896 0.000636287 -0.000022250 0.000050035 0.015522672 0.004885056 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1580.21407300714 -1580.21407342580 -0.000000418655 -1580.21407342903 -0.000000003228 -1580.21407343115 -0.000000002120 -1580.21407343141 -0.000000000260 -1580.21407343153 -0.000000000122 -1580.21407343156 -0.000000000035 -1580.21407343147 0.000000000095 -1580.21407343 8 1.574851640554e+03 -7.996365170217e+03 2.701235920432e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323822737 LenY= 11323428981 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) PT41976.400S Wed Dec 22 15:20:53 2021 4.68502725e-01 1.62779758e+00 -2.92761123e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1580.2140734 2.661E-9 3.811E-6 -4.9958005,-2.5351305,7.530931,16.3930644,0.2885198,3.0149963 C01 [X(C15H15Cl1F3N3O1)] -0.3237367 2.8969376 1.7155391 -0.000002337 -0.000004784 -0.000002113 -0.000001631 -0.000003485 -0.000000195 0.000001411 0.000003080 0.000002166 0.000005227 -0.000002062 0.000004852 0.000001056 -0.000007186 0.000001323 -0.000005277 0.000006147 0.000001051 0.000002616 -0.000003022 -0.000005213 0.000004442 -0.000001987 -0.000003431 0.000005072 0.000000849 -0.000000057 -0.000002913 0.000002198 0.000001612 0.000000995 0.000011527 -0.000002544 -0.000003348 0.000000775 0.000000594 -0.000009983 -0.000002145 -0.000002055 -0.000002852 0.000000873 0.000005715 0.000001914 -0.000002047 0.000000522 0.000005132 -0.000007412 0.000000784 0.000001788 0.000008836 0.000001698 0.000000587 0.000003777 0.000005477 -0.000000751 -0.000005558 0.000003520 0.000006292 -0.000006248 -0.000018032 0.000001234 -0.000003968 0.000001692 -0.000005162 -0.000002706 -0.000005394 0.000004830 0.000002823 0.000005917 -0.000000061 0.000003378 0.000001589 -0.000002625 -0.000000336 0.000000738 -0.000002537 0.000001733 0.000000947 -0.000004000 -0.000001010 0.000000673 -0.000000815 0.000003066 0.000000790 0.000000964 0.000002291 0.000001590 -0.000000016 -0.000001209 -0.000000729 -0.000000028 -0.000003411 -0.000002879 0.000000109 0.000003014 -0.000001085 0.000000058 0.000001129 -0.000001505 -0.000000358 -0.000000579 0.000000132 -0.000002543 0.000000543 -0.000001418 0.000003278 0.000000728 0.000001467 -0.000000856 -0.000002891 -0.000001249 0.000001090 0.000005280 0.000003050 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-PIMPOLLAR PAULAPLA Optimization triflumizole_E CONF359 octanol 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 CONF359 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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/octanol/CONF359/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 1.3598 1.3573 1.3523 1.4148 1.4347 1.4088 1.3943 1.3814 1.2699 1.4013 1.3067 1.3895 1.5128 1.1007 1.0942 1.5186 1.0989 1.0995 1.4076 1.3998 1.5301 1.0958 1.0957 1.3944 1.5038 1.3893 1.0834 1.3877 1.0812 1.3606 1.0751 1.0939 1.0929 1.0954 1.0774 1.3909 1.0829 1.079 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 38 112.7919 127.7212 125.7995 106.4651 122.749 105.858 117.5613 115.966 126.47 108.3765 111.3167 111.1547 109.0833 109.0935 107.7765 108.535 109.2665 109.2859 110.9757 110.6812 108.0723 121.1771 120.0884 118.5479 113.2645 107.4392 108.7209 110.1182 110.2331 106.8241 120.6756 119.8252 119.4893 121.0601 118.9378 120.0021 119.2832 120.2702 120.4464 105.6045 122.5889 131.8045 110.9503 111.2145 110.9539 107.895 107.8464 107.8335 111.5524 121.5741 126.8696 106.2314 106.3914 112.1892 106.406 112.539 112.5998 119.2575 120.1698 120.5727 119.2369 119.5951 121.1679 110.5183 121.635 127.8458 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 -179.7868 -59.8237 60.3358 -176.9455 61.9134 -56.1514 -167.2625 13.295 11.1766 -168.266 178.4057 -2.0632 -0.2741 179.2569 -178.6819 1.9985 0.0306 -179.289 -179.4715 -0.0947 100.864 -84.1722 0.2216 179.497 -0.4049 179.895 55.4074 -65.9422 176.5661 -123.9781 114.6723 -2.8194 63.0846 -175.0791 -59.8156 -176.8326 -54.9964 60.2672 -56.8432 64.9931 -179.7433 176.086 -5.0657 1.0465 179.8948 -176.0086 3.9026 -0.9135 178.9977 178.4231 -61.4737 58.5543 58.0982 178.2014 -61.7706 -59.5169 60.5864 -179.3857 -0.5817 179.2792 -179.4338 0.4271 -60.1056 59.6373 179.9013 118.7564 -121.5007 -1.2367 0.3155 -179.6227 -179.5948 0.4671 -179.9793 -0.0385 0.16 -179.8992 0.42 -179.9034 -179.0499 0.6267 -179.8865 0.1729 0.0514 -179.8892 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00140 0.00213 0.00365 0.00425 0.00440 0.00582 0.00684 0.00717 0.01161 0.01265 0.01659 0.01793 0.01810 0.01989 0.02034 0.02343 0.02571 0.02638 0.02708 0.02774 0.03029 0.03534 0.03653 0.03796 0.04489 0.04551 0.04841 0.05170 0.05551 0.05902 0.06261 0.06344 0.07150 0.07533 0.09804 0.10261 0.10472 0.10645 0.10816 0.11332 0.11509 0.11568 0.12009 0.12115 0.12171 0.12535 0.13237 0.13718 0.14146 0.15515 0.15749 0.16499 0.18245 0.18930 0.19351 0.19409 0.20314 0.21314 0.21446 0.22021 0.22684 0.23137 0.23300 0.23450 0.23661 0.23918 0.24671 0.25268 0.26860 0.28259 0.28786 0.30345 0.31291 0.31444 0.31551 0.31669 0.32005 0.32523 0.32555 0.32888 0.33152 0.33237 0.33574 0.34079 0.34160 0.35263 0.35928 0.36087 0.36420 0.36799 0.37261 0.37551 0.37988 0.38857 0.39382 0.39443 0.41083 0.42234 0.44102 0.45017 0.46156 0.46601 0.46742 0.47976 0.50412 0.50986 0.58133 0.75966 Angle between quadratic step and forces= 75.01 degrees. 1 2 0.00071764 0.00000033 0.00000016 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 3.33196 2.56962 2.56498 2.55552 2.67362 2.71118 2.66234 2.63479 2.61045 2.39967 2.64810 2.46932 2.62574 2.85871 2.08010 2.06782 2.86967 2.07671 2.07783 2.65994 2.64521 2.89156 2.07067 2.07063 2.63508 2.84174 2.62539 2.04725 2.62233 2.04316 2.57107 2.03159 2.06724 2.06528 2.07010 2.03602 2.62839 2.04640 2.03903 1.96859 2.22916 2.19561 1.85817 2.14237 1.84757 2.05183 2.02399 2.20732 1.89153 1.94284 1.94002 1.90386 1.90404 1.88106 1.89429 1.90706 1.90740 1.93689 1.93175 1.88622 2.11494 2.09594 2.06905 1.97684 1.87517 1.89754 1.92192 1.92393 1.86443 2.10619 2.09134 2.08548 2.11290 2.07586 2.09443 2.08189 2.09911 2.10219 1.84315 2.13958 2.30042 1.93645 1.94106 1.93651 1.88312 1.88227 1.88205 1.94696 2.12187 2.21429 1.85409 1.85688 1.95807 1.85713 1.96418 1.96524 2.08144 2.09736 2.10439 2.08108 2.08733 2.11478 1.92891 2.12293 2.23133 -3.13787 -1.04412 1.05306 -3.08828 1.08059 -0.98003 -2.91928 0.23204 0.19507 -2.93680 3.11377 -0.03601 -0.00478 3.12862 -3.11859 0.03488 0.00053 -3.12918 -3.13237 -0.00165 1.76041 -1.46908 0.00387 3.13281 -0.00707 3.13976 0.96704 -1.15091 3.08166 -2.16383 2.00141 -0.04921 1.10103 -3.05571 -1.04398 -3.08631 -0.95987 1.05186 -0.99210 1.13434 -3.13711 3.07328 -0.08841 0.01827 3.13976 -3.07193 0.06811 -0.01594 3.12410 3.11407 -1.07292 1.02197 1.01400 3.11020 -1.07810 -1.03877 1.05743 -3.13087 -0.01015 3.12901 -3.13171 0.00745 -1.04904 1.04087 3.13987 2.07269 -2.12059 -0.02159 0.00551 -3.13501 -3.13452 0.00815 -3.14123 -0.00067 0.00279 -3.13983 0.00733 -3.13991 -3.12501 0.01094 -3.13961 0.00302 0.00090 -3.13966 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00001 -0.00001 0.00003 0.00004 -0.00000 0.00002 0.00003 0.00000 -0.00001 -0.00000 0.00002 0.00002 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00001 0.00004 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00002 -0.00001 0.00004 0.00000 0.00000 0.00001 -0.00001 -0.00010 -0.00000 -0.00002 0.00009 -0.00000 0.00004 -0.00002 -0.00001 -0.00003 0.00001 0.00003 0.00001 -0.00002 0.00002 -0.00000 0.00002 0.00001 -0.00002 0.00001 0.00000 -0.00003 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00002 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00043 -0.00038 -0.00035 -0.00007 -0.00007 -0.00006 -0.00130 -0.00123 -0.00144 -0.00137 -0.00009 -0.00023 0.00003 -0.00011 0.00010 0.00002 -0.00002 -0.00010 -0.00045 -0.00054 0.00086 0.00082 0.00001 0.00009 0.00001 0.00002 0.00085 0.00087 0.00077 0.00094 0.00095 0.00085 0.00003 0.00006 0.00003 0.00002 0.00005 0.00001 0.00005 0.00009 0.00005 -0.00009 -0.00007 -0.00005 -0.00004 0.00009 0.00005 0.00005 0.00001 0.00007 0.00005 0.00006 0.00004 0.00002 0.00003 0.00006 0.00005 0.00006 0.00001 -0.00000 0.00000 -0.00002 0.00012 0.00013 0.00012 0.00013 0.00014 0.00014 -0.00002 -0.00001 0.00002 0.00003 0.00002 0.00002 0.00003 0.00004 -0.00002 -0.00004 0.00013 0.00012 -0.00001 -0.00002 -0.00002 -0.00003 0.00000 -0.00002 -0.00001 -0.00001 0.00003 0.00004 -0.00000 0.00002 0.00003 0.00000 -0.00001 -0.00000 0.00002 0.00002 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00001 0.00004 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00001 -0.00001 0.00002 -0.00001 0.00004 0.00000 0.00000 0.00001 -0.00001 -0.00010 -0.00000 -0.00002 0.00009 -0.00000 0.00004 -0.00002 -0.00001 -0.00003 0.00001 0.00003 0.00001 -0.00002 0.00002 -0.00000 0.00002 0.00001 -0.00002 0.00001 0.00000 -0.00003 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00001 -0.00002 -0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00043 -0.00038 -0.00035 -0.00007 -0.00007 -0.00006 -0.00130 -0.00123 -0.00144 -0.00137 -0.00009 -0.00023 0.00003 -0.00011 0.00010 0.00002 -0.00002 -0.00010 -0.00045 -0.00054 0.00086 0.00082 0.00001 0.00009 0.00001 0.00002 0.00085 0.00087 0.00077 0.00094 0.00095 0.00085 0.00003 0.00006 0.00003 0.00002 0.00005 0.00001 0.00005 0.00009 0.00005 -0.00009 -0.00007 -0.00005 -0.00004 0.00009 0.00005 0.00005 0.00001 0.00007 0.00005 0.00006 0.00004 0.00002 0.00003 0.00006 0.00005 0.00006 0.00001 -0.00000 0.00000 -0.00002 0.00012 0.00013 0.00012 0.00013 0.00014 0.00014 -0.00002 -0.00001 0.00002 0.00003 0.00002 0.00002 0.00003 0.00004 -0.00002 -0.00004 0.00013 0.00012 -0.00001 -0.00002 -0.00002 -0.00003 3.33197 2.56960 2.56497 2.55550 2.67365 2.71121 2.66233 2.63482 2.61048 2.39968 2.64809 2.46932 2.62576 2.85873 2.08010 2.06782 2.86966 2.07671 2.07783 2.65994 2.64522 2.89155 2.07068 2.07064 2.63507 2.84177 2.62539 2.04725 2.62234 2.04316 2.57107 2.03159 2.06725 2.06528 2.07010 2.03602 2.62840 2.04640 2.03903 1.96858 2.22914 2.19564 1.85815 2.14242 1.84757 2.05183 2.02400 2.20731 1.89143 1.94284 1.94000 1.90395 1.90404 1.88109 1.89428 1.90705 1.90737 1.93690 1.93178 1.88623 2.11492 2.09595 2.06905 1.97686 1.87517 1.89752 1.92194 1.92393 1.86441 2.10619 2.09135 2.08548 2.11290 2.07585 2.09443 2.08190 2.09911 2.10218 1.84315 2.13958 2.30042 1.93645 1.94106 1.93653 1.88311 1.88227 1.88205 1.94696 2.12187 2.21428 1.85410 1.85688 1.95807 1.85715 1.96416 1.96523 2.08144 2.09735 2.10439 2.08109 2.08733 2.11477 1.92891 2.12294 2.23132 -3.13830 -1.04450 1.05271 -3.08835 1.08053 -0.98009 -2.92058 0.23081 0.19362 -2.93817 3.11367 -0.03624 -0.00476 3.12851 -3.11849 0.03490 0.00051 -3.12928 -3.13282 -0.00219 1.76127 -1.46826 0.00387 3.13290 -0.00706 3.13978 0.96790 -1.15004 3.08243 -2.16289 2.00236 -0.04835 1.10107 -3.05565 -1.04395 -3.08629 -0.95982 1.05188 -0.99205 1.13443 -3.13706 3.07319 -0.08849 0.01822 3.13972 -3.07184 0.06817 -0.01589 3.12411 3.11414 -1.07286 1.02203 1.01404 3.11023 -1.07807 -1.03870 1.05748 -3.13081 -0.01014 3.12901 -3.13171 0.00744 -1.04892 1.04099 3.13999 2.07282 -2.12045 -0.02145 0.00549 -3.13502 -3.13450 0.00818 -3.14122 -0.00065 0.00282 -3.13979 0.00731 -3.13994 -3.12488 0.01106 -3.13963 0.00299 0.00088 -3.13969 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000002 0.004079 0.000718 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -1.327475e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2140.1057247049 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 -0.0396506615 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 6.082639 0.000000 6.113256 2.173281 0.000000 5.184909 2.171550 2.169790 0.000000 7.572863 3.252948 4.911596 5.337311 0.000000 8.128132 3.945736 4.290882 5.786656 2.847806 0.000000 5.953764 2.984185 2.903280 4.224213 3.426623 2.291927 0.000000 10.036188 5.515155 5.337507 7.191187 4.755435 2.223040 4.086574 0.000000 6.767922 3.139661 3.704640 4.875949 2.374796 1.408847 1.269853 3.573723 0.000000 6.689844 3.397107 4.654031 5.249580 1.414819 2.477818 2.486895 4.670916 1.512762 0.000000 7.940084 4.201764 6.102661 6.137598 1.434692 4.202899 4.689810 6.047047 3.687606 2.373332 0.000000 4.554506 2.987993 2.989328 3.676504 3.956450 3.615804 1.401316 5.487064 2.345517 2.927344 4.965531 0.000000 9.037421 4.653332 6.667309 6.577518 2.397814 5.026018 5.761524 6.532885 4.763561 3.688317 1.518566 6.122040 0.000000 4.022344 2.378002 2.380858 2.377630 4.414584 4.532459 2.446876 6.300070 3.318272 3.732818 5.314599 1.407581 6.261339 0.000000 4.022914 4.295481 4.299790 4.790073 4.739669 4.441838 2.426903 6.336948 3.182620 3.478596 5.543064 1.399784 6.873976 2.413271 0.000000 2.724813 3.440816 3.461470 2.710242 5.461314 5.861564 3.719615 7.675303 4.575922 4.752856 6.128548 2.434834 7.091663 1.394424 2.788185 0.000000 9.252863 4.950348 5.579577 6.954475 2.969082 1.394272 3.609009 2.259871 2.516438 2.949186 4.069063 4.848184 4.737414 5.777277 5.537856 7.069365 0.000000 8.752181 3.962058 6.045004 5.667092 2.957447 5.424806 5.837329 6.862411 5.068704 4.242090 2.546165 6.081975 1.530149 5.887669 7.023701 6.659809 5.431620 0.000000 8.746820 4.436580 4.173717 6.028431 4.082377 1.381388 2.812969 1.306707 2.483929 3.791961 5.475472 4.207836 6.133503 5.013030 5.117305 6.382248 2.223516 6.348611 0.000000 5.223516 1.359784 1.357329 1.352322 4.329337 4.480247 2.884991 5.973500 3.555017 4.088220 5.317273 2.519552 5.937147 1.503782 3.794684 2.504044 5.694675 5.279752 4.767383 0.000000 2.732354 4.965958 4.981360 4.968468 5.726676 5.787903 3.703083 7.701249 4.475228 4.553774 6.327943 2.428217 7.639114 2.789700 1.389296 2.420340 6.871044 7.685045 6.460405 4.293432 0.000000 1.763198 4.606943 4.629975 4.097880 6.026126 6.374633 4.190747 8.274204 5.028757 5.083741 6.580496 2.791317 7.726145 2.400624 2.398650 1.387676 7.527431 7.509479 6.986986 3.776527 1.390885 0.000000 10.316529 5.776737 6.081117 7.694186 4.196710 2.194461 4.448075 1.389484 3.571350 4.262268 5.300884 5.801025 5.755031 6.692658 6.548233 8.041290 1.360554 6.347378 2.151840 6.456878 7.917126 8.563983 0.000000 7.202943 4.495749 5.635771 6.306842 2.084613 2.794592 3.148845 4.859922 2.142173 1.100742 2.656663 3.616103 4.060871 4.615558 3.820673 5.545996 2.900225 4.923666 4.151834 5.127531 4.900761 5.653254 4.241345 0.000000 5.697582 3.239288 4.570113 4.791466 2.077621 3.387669 2.626022 5.606460 2.137469 1.094245 2.655258 2.493738 4.024044 3.138920 2.889743 3.932520 4.024398 4.397779 4.599452 3.751001 3.735699 4.171547 5.315689 1.773267 0.000000 8.444669 5.146045 6.911256 7.091386 2.075210 4.412268 5.117803 6.195842 4.020916 2.646549 1.098946 5.457031 2.169911 6.017399 5.833173 6.817769 4.026511 3.498777 5.745518 6.184350 6.654850 7.096121 5.272387 2.453388 3.044930 0.000000 7.134720 4.107033 6.077967 5.786951 2.075904 4.809725 4.786411 6.815458 3.997356 2.602652 1.099542 4.742547 2.166662 4.942207 5.203556 5.539368 4.907405 2.785484 6.085510 5.097333 5.775086 5.918200 6.188862 2.972742 2.405956 1.779430 0.000000 9.519366 5.595054 7.664878 7.407491 3.328758 6.007814 6.698065 7.528449 5.698846 4.482495 2.122282 6.954961 1.095753 7.082335 7.583435 7.787273 5.630237 2.166895 7.163348 6.846556 8.247066 8.330683 6.660152 4.701376 4.705658 2.436035 2.497664 0.000000 9.846079 5.084604 6.932586 7.129605 2.630501 4.802863 5.957563 6.005190 4.855468 3.972323 2.138874 6.545318 1.095731 6.802790 7.349727 7.771726 4.269638 2.168334 5.815260 6.393708 8.254981 8.433659 5.120897 4.241686 4.556443 2.489518 3.061264 1.759637 0.000000 4.879122 5.020252 5.016348 5.760119 4.880320 4.267833 2.640790 6.083192 3.179819 3.497840 5.684123 2.144895 7.093027 3.393296 1.083358 3.871515 5.228974 7.449707 4.967662 4.661544 2.146860 3.383154 6.210590 3.540601 3.131297 5.782131 5.470277 7.781469 7.467917 0.000000 2.861742 3.671265 3.698013 2.344922 6.072319 6.651559 4.595671 8.391447 5.415975 5.553933 6.662585 3.414793 7.460305 2.152518 3.869369 1.081193 7.853405 6.827345 7.113358 2.705834 3.399259 2.148295 8.794036 6.419481 4.733386 7.449111 6.021340 8.126102 8.189495 4.952705 0.000000 9.300403 5.221913 6.184453 7.301025 2.594039 2.171282 4.072995 3.316071 2.843169 2.696412 3.389172 5.129881 4.114461 6.060464 5.689607 7.261509 1.075073 5.061808 3.250791 6.079970 6.951216 7.635392 2.226416 2.398705 3.777173 3.137090 4.288168 4.885917 3.655882 5.353247 8.051564 0.000000 9.718971 4.801744 6.811624 6.386199 3.946891 6.262966 6.823135 7.477643 6.046053 5.283892 3.492180 7.116227 2.176023 6.859398 8.098214 7.617357 6.161338 1.093937 7.088745 6.121153 8.752306 8.522183 6.941655 5.926912 5.487704 4.326676 3.784314 2.504599 2.515193 8.529391 7.699808 5.801548 0.000000 8.471065 3.123214 5.099151 4.923862 2.673421 4.731518 5.127084 6.068023 4.443695 3.916916 2.829220 5.479902 2.178545 5.252756 6.565765 6.159318 4.899405 1.092899 5.511959 4.474551 7.313562 7.121871 5.724637 4.744603 4.154732 3.843690 3.157740 3.081195 2.525321 7.023560 6.334890 4.737386 1.768009 0.000000 8.066524 3.887852 6.047631 5.305881 3.351791 5.943632 5.957657 7.576836 5.340068 4.418343 2.804047 5.945532 2.177208 5.592333 6.806566 6.159021 6.117239 1.095448 6.914404 5.087466 7.282910 6.977869 7.133564 5.145149 4.298355 3.798367 2.594731 2.528612 3.082349 7.337067 6.233804 5.735148 1.769524 1.768540 0.000000 8.304427 4.243882 3.476326 5.505882 4.648709 2.151194 2.607113 2.134885 2.778962 4.244198 6.079374 3.896663 6.763855 4.574373 4.871393 5.915842 3.250200 6.790463 1.077415 4.290828 6.144597 6.573555 3.205557 4.741895 4.859053 6.460700 6.552531 7.818382 6.556927 4.846084 6.602657 4.230891 7.548687 5.875483 7.250329 0.000000 2.875927 6.019697 6.036373 6.022009 6.493813 6.537197 4.572819 8.433896 5.266054 5.252118 6.988250 3.407694 8.366936 3.872606 2.148261 3.401208 7.536051 8.528838 7.237822 5.376335 1.082908 2.153938 8.592778 5.411173 4.444442 7.186008 6.405293 8.897364 8.991666 2.475252 4.293099 7.551954 9.606630 8.230999 8.105536 6.963374 0.000000 11.355284 6.740460 7.106411 8.697664 4.942490 3.250589 5.517710 2.160480 4.597473 5.134611 5.884026 6.859594 6.188036 7.753494 7.565930 9.097987 2.194716 6.879874 3.175072 7.486408 8.934193 9.608836 1.079009 4.997633 6.215541 5.741839 6.852992 7.010470 5.410813 7.174836 9.843939 2.739685 7.362713 6.337507 7.749086 4.192194 9.575076 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3196539 0.1434215 0.1310313 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= 1.59D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 8.91D-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= 622 622 622 622 622 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.21407343168 -1580.21407343 1 1.574851640171e+03 -7.996365170182e+03 2.701235920779e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323822737 LenY= 11323428981 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= 9.8629, EpsInf= 2.0435) Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 11766 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 780000000 NMat= 114 IRICut= 285 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. 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= 2.88D+02 6.53D+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= 3.77D+01 9.46D-01. 114 vectors produced by pass 2 Test12= 4.57D-14 1.00D-09 XBig12= 4.03D-01 5.81D-02. 114 vectors produced by pass 3 Test12= 4.57D-14 1.00D-09 XBig12= 2.25D-03 4.88D-03. 114 vectors produced by pass 4 Test12= 4.57D-14 1.00D-09 XBig12= 6.39D-06 1.96D-04. 102 vectors produced by pass 5 Test12= 4.57D-14 1.00D-09 XBig12= 1.39D-08 1.24D-05. 48 vectors produced by pass 6 Test12= 4.57D-14 1.00D-09 XBig12= 2.22D-11 4.22D-07. 3 vectors produced by pass 7 Test12= 4.57D-14 1.00D-09 XBig12= 3.22D-14 1.68D-08. InvSVY: IOpt=1 It= 1 EMax= 2.31D-14 Solved reduced A of dimension 723 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 292.28 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 384.061 32.964 238.966 -9.421 -1.121 253.804 398.441 35.536 265.032 -8.821 -2.477 292.648 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT36751S Wed Dec 22 16:37:34 2021 4.68502270e-01 1.62779756e+00 -2.92761084e+00 3.84060771e+02 3.29635409e+01 2.38966476e+02 -9.42074391e+00 -1.12066351e+00 2.53804166e+02 0.0008 0.0011 0.0015 2.6535 8.4790 9.4988 24.2546 25.8285 32.3353 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 24.2302 25.3120 32.3244 40.3866 46.9811 50.2550 52.8207 77.7924 114.7348 121.7849 136.5978 145.3400 167.7035 176.7989 190.5254 243.4148 267.0833 280.3604 291.4751 310.0221 337.6371 347.7863 359.5621 368.6296 439.2078 472.8320 485.2871 496.7212 511.5380 552.3310 591.8730 612.2959 616.0166 653.2310 659.0299 667.0216 689.6109 713.5963 740.6782 763.7392 780.9634 790.7699 844.6380 853.3841 860.9854 883.3918 892.5550 909.2368 914.3833 936.0162 965.4094 982.1632 995.4459 1023.9091 1055.2760 1057.9484 1067.3707 1083.7189 1085.1241 1118.8713 1122.5550 1123.6685 1127.0945 1151.4843 1167.4986 1173.1422 1235.1733 1253.2131 1264.3227 1277.5993 1282.2733 1305.9170 1307.6174 1320.1380 1323.9943 1333.9524 1375.7049 1395.0394 1410.8938 1422.9268 1438.9994 1447.4829 1465.4411 1484.2685 1494.4233 1500.6104 1503.1288 1510.5409 1514.5839 1561.9210 1597.7597 1635.2073 1733.1922 2975.2054 2979.2480 3008.5394 3018.9300 3026.2840 3054.7017 3059.2793 3079.7163 3095.3831 3191.5684 3204.9200 3220.8379 3245.1701 3271.9471 3297.8047 4.5712 6.6221 7.7472 3.4900 9.2384 5.5233 3.9222 3.9558 3.3418 4.4924 5.8787 9.9514 5.8094 1.9413 5.8426 2.0201 11.5214 7.2218 2.5124 4.7438 3.2674 11.1939 8.2218 3.8652 4.7782 5.8460 2.9584 7.5243 6.7295 3.9100 6.3776 4.7354 4.6881 4.7986 5.7409 3.9788 7.4211 4.7323 1.2602 4.2465 1.8805 2.3442 1.4818 2.2567 3.2689 1.3982 2.7439 1.4333 6.3502 1.2835 2.4180 1.3475 3.9536 2.2465 6.3539 10.0019 2.4680 8.7512 1.8044 6.8262 1.9849 2.4997 2.0293 2.0846 1.5038 1.9135 3.8967 1.3070 4.1486 1.2110 1.2622 1.2388 1.3500 7.8419 5.4756 2.1596 1.3485 1.2955 1.2817 4.7332 4.0004 1.4444 1.0743 1.0437 1.0647 1.2900 2.1028 2.5400 1.1466 4.7051 7.8496 6.2392 11.1820 1.0617 1.0619 1.0971 1.0382 1.0698 1.1012 1.0936 1.1014 1.1018 1.0896 1.0962 1.0924 1.0962 1.0991 1.1036 0.0016 0.0025 0.0048 0.0034 0.0120 0.0082 0.0064 0.0141 0.0259 0.0393 0.0646 0.1239 0.0963 0.0358 0.1250 0.0705 0.4842 0.3344 0.1258 0.2686 0.2195 0.7977 0.6263 0.3095 0.5431 0.7701 0.4105 1.0938 1.0375 0.7028 1.3163 1.0460 1.0482 1.2064 1.4691 1.0430 2.0793 1.4198 0.4073 1.4594 0.6757 0.8637 0.6228 0.9683 1.4277 0.6429 1.2879 0.6981 3.1282 0.6626 1.3278 0.7658 2.3082 1.3876 4.1689 6.5957 1.6567 6.0555 1.2518 5.0349 1.4737 1.8596 1.5189 1.6285 1.2076 1.5516 3.5027 1.2094 3.9072 1.1647 1.2227 1.2447 1.3600 8.0521 5.6552 2.2642 1.5037 1.4855 1.5033 5.6464 4.8806 1.7830 1.3592 1.3548 1.4010 1.7116 2.7992 3.4147 1.5497 6.7630 11.8064 9.8293 19.7908 5.5374 5.5533 5.8507 5.5750 5.7726 6.0539 6.0304 6.1546 6.2196 6.5394 6.6341 6.6771 6.8015 6.9324 7.0713 0.1098 0.9497 1.2374 1.5988 0.3984 1.1154 0.8114 2.2718 2.6563 3.2825 1.1329 0.2508 7.3145 5.6983 1.6123 1.1763 0.2716 0.0363 1.5055 1.2625 1.5566 0.0755 5.6538 1.1658 10.5800 19.7556 2.0308 8.5767 6.4416 15.6222 10.8042 1.3338 3.9144 10.7275 0.4893 74.5853 8.2465 74.8875 61.5712 2.3761 18.2240 36.6666 41.7127 53.8932 34.4042 0.7753 6.7631 46.3923 5.6268 18.1293 98.1854 1.9170 38.8551 49.2739 234.3761 406.4203 15.5220 223.9097 58.3873 290.1845 44.0857 156.5403 22.9660 6.8117 19.6327 9.4131 300.3724 86.4041 258.3679 19.5520 61.1715 36.0455 38.2319 212.5404 214.9432 219.6231 4.8891 38.7092 8.4720 359.3994 24.5972 40.8129 3.7764 13.6070 13.1428 109.1372 337.7177 6.8149 22.7989 0.5052 11.3240 23.2972 718.1919 37.9280 77.9010 30.2409 50.1649 80.9716 30.1806 21.1176 76.3213 58.4818 1.2932 0.0666 4.1485 4.2765 8.6910 5.5781 -0.07 0.10 -0.02 -0.06 -0.01 0.00 -0.02 0.02 0.02 -0.05 0.05 -0.01 0.04 -0.03 -0.02 -0.02 -0.06 -0.01 -0.02 -0.02 0.03 -0.01 -0.09 -0.04 -0.02 -0.05 -0.01 -0.03 -0.07 -0.04 0.13 -0.01 -0.01 -0.03 -0.01 0.02 0.25 0.06 0.04 -0.04 0.02 0.01 -0.02 -0.02 0.02 -0.05 0.05 -0.00 -0.03 -0.02 0.04 0.33 -0.02 0.02 -0.01 -0.10 -0.05 -0.04 0.02 0.01 -0.04 0.01 0.01 -0.05 0.05 -0.00 -0.03 -0.04 0.02 -0.09 -0.09 -0.02 -0.02 -0.11 -0.11 0.08 0.04 0.01 0.16 -0.10 -0.04 0.32 0.08 0.05 0.21 0.15 0.07 -0.01 -0.04 0.04 -0.06 0.08 -0.01 -0.04 0.02 0.08 0.42 0.05 0.04 0.24 -0.03 0.01 0.37 -0.13 -0.01 -0.00 -0.13 -0.09 -0.03 0.01 0.01 -0.03 -0.02 0.04 0.05 -0.11 0.02 -0.04 0.13 -0.17 -0.07 0.18 -0.03 -0.07 0.19 -0.11 -0.02 -0.01 0.06 0.01 -0.02 -0.02 0.01 -0.02 -0.03 0.02 -0.06 -0.07 0.01 -0.01 -0.00 0.00 0.02 0.04 0.04 0.04 0.15 0.01 -0.02 -0.02 0.01 -0.01 0.18 -0.01 0.05 -0.05 0.04 -0.10 0.02 -0.00 0.02 -0.04 0.01 -0.01 -0.01 -0.06 -0.15 0.24 0.02 -0.05 -0.05 -0.05 0.14 -0.09 0.05 -0.12 0.03 0.03 -0.06 0.00 0.01 -0.03 -0.04 0.02 0.05 0.03 0.00 0.03 0.07 0.09 0.12 0.11 0.06 0.03 0.23 0.07 0.04 0.25 -0.01 0.00 0.08 0.06 -0.15 0.04 -0.02 0.07 -0.06 0.01 0.01 0.01 -0.07 -0.17 0.25 -0.14 -0.20 0.17 -0.04 -0.18 0.34 0.02 -0.06 -0.07 0.08 -0.19 0.06 0.01 -0.04 -0.04 -0.00 0.11 0.06 -0.11 -0.11 -0.12 -0.06 -0.09 -0.10 -0.14 -0.04 -0.05 0.02 -0.03 -0.04 0.03 0.02 0.02 0.04 -0.09 -0.12 -0.02 0.25 0.29 0.04 -0.03 -0.05 0.05 -0.02 -0.02 0.08 -0.00 0.02 0.04 -0.06 -0.08 0.06 -0.03 0.02 -0.03 -0.04 -0.06 0.09 -0.05 -0.05 -0.04 0.02 -0.01 0.04 -0.04 -0.05 0.00 -0.12 0.07 -0.01 0.21 0.22 -0.08 -0.07 -0.08 0.08 -0.00 -0.01 0.02 0.03 0.01 0.01 0.09 0.12 0.08 -0.00 -0.04 0.05 -0.01 0.01 0.12 0.05 -0.01 0.09 -0.02 0.08 0.12 0.01 0.07 0.04 -0.00 -0.05 0.14 -0.08 -0.07 -0.09 0.04 0.00 0.07 -0.18 -0.20 -0.00 -0.12 0.07 -0.06 -0.15 0.03 0.02 -0.15 0.14 -0.02 0.31 0.32 0.12 0.01 0.01 0.01 0.08 0.13 -0.05 0.04 -0.08 0.04 0.01 0.07 0.05 0.01 0.07 0.06 0.01 0.03 0.02 -0.02 -0.06 -0.01 0.01 -0.01 -0.02 -0.00 0.08 -0.06 0.05 -0.03 0.00 -0.01 0.02 0.04 -0.03 -0.02 0.17 0.03 0.01 -0.01 -0.02 0.06 0.07 0.00 -0.07 0.01 -0.01 0.04 -0.04 -0.02 0.04 0.00 0.00 -0.00 0.02 -0.01 -0.09 -0.17 -0.15 0.07 -0.06 0.05 0.02 0.04 0.00 0.05 -0.05 -0.01 0.00 -0.03 0.01 -0.02 -0.01 0.01 -0.10 0.07 -0.04 -0.03 0.04 -0.04 0.02 0.32 0.10 -0.07 0.21 -0.00 0.19 0.23 0.06 -0.01 0.02 0.05 -0.29 -0.06 -0.03 0.06 0.02 0.02 -0.02 0.06 -0.05 -0.13 -0.22 -0.16 0.01 -0.34 -0.21 0.02 -0.11 -0.21 0.29 -0.09 0.07 0.08 -0.07 -0.01 -0.01 -0.00 0.01 -0.15 0.02 -0.04 0.04 0.20 0.31 0.01 -0.30 0.07 -0.14 0.10 -0.25 0.12 -0.07 -0.03 -0.10 -0.01 -0.04 -0.00 -0.01 0.07 -0.01 0.06 -0.03 0.12 -0.03 0.00 -0.05 -0.09 -0.04 -0.11 0.02 0.01 -0.04 -0.02 0.08 -0.02 0.07 0.02 0.00 0.01 0.01 0.01 -0.04 0.13 -0.04 0.01 -0.02 0.02 -0.03 -0.13 -0.01 0.05 -0.14 0.05 0.04 0.02 0.08 0.00 0.03 0.00 -0.03 0.10 -0.03 0.00 0.02 0.01 0.01 -0.12 0.06 -0.13 -0.08 -0.09 -0.10 -0.03 -0.17 0.03 0.09 -0.05 0.05 -0.05 0.00 0.17 0.07 0.07 0.02 0.10 -0.07 -0.06 0.18 -0.07 0.03 -0.07 0.05 -0.06 -0.18 -0.07 0.10 -0.11 0.07 -0.08 -0.19 -0.01 0.10 -0.25 0.12 0.07 0.10 0.10 -0.04 0.14 -0.04 0.01 -0.18 0.08 0.04 -0.12 0.04 -0.06 -0.09 0.06 0.17 -0.01 0.08 0.01 0.12 -0.02 -0.10 -0.03 -0.08 -0.02 -0.00 -0.05 -0.02 0.10 0.01 -0.00 0.05 0.07 -0.03 0.03 -0.06 -0.08 0.00 -0.09 -0.10 0.00 -0.02 -0.03 0.10 -0.01 0.01 0.00 0.09 0.00 0.05 0.01 -0.05 0.13 -0.03 0.02 0.00 0.01 -0.00 -0.15 -0.16 0.14 -0.09 0.05 -0.02 0.11 0.09 0.03 0.02 0.03 -0.04 0.08 -0.02 0.00 0.00 0.01 0.01 -0.12 -0.10 -0.08 -0.02 -0.09 -0.09 0.03 -0.11 -0.19 0.05 0.01 -0.10 -0.03 -0.09 0.01 0.03 0.14 0.00 0.04 0.15 -0.08 0.18 -0.04 0.05 -0.05 0.03 0.00 -0.26 -0.29 0.23 -0.07 0.13 0.14 -0.12 0.00 0.16 -0.15 -0.02 -0.03 0.25 0.21 -0.05 0.09 -0.03 0.03 -0.20 -0.15 0.04 -0.06 0.06 -0.06 -0.08 0.01 0.07 -0.04 -0.00 -0.04 0.03 -0.02 -0.01 0.03 -0.07 -0.01 -0.01 0.02 -0.01 0.06 -0.03 0.07 -0.08 0.04 -0.03 0.02 -0.03 -0.07 -0.01 -0.08 0.12 0.06 -0.03 -0.02 0.06 -0.04 0.06 0.06 -0.10 -0.01 0.03 -0.02 -0.02 0.10 -0.05 0.00 -0.00 0.01 -0.06 0.06 0.17 -0.13 -0.06 0.01 0.07 -0.09 -0.06 -0.01 -0.01 -0.01 -0.00 0.07 -0.02 0.01 0.01 0.01 -0.01 0.01 0.18 -0.14 -0.04 -0.05 -0.07 -0.03 -0.16 0.23 0.12 -0.09 0.15 0.02 0.10 0.20 0.11 -0.06 0.01 0.13 -0.27 -0.02 0.13 -0.07 0.01 -0.04 0.03 -0.12 0.13 0.26 -0.16 -0.04 -0.05 -0.29 -0.10 -0.02 -0.08 -0.13 0.19 0.12 -0.15 -0.18 0.00 0.08 -0.03 -0.03 0.04 0.28 0.01 0.02 0.01 0.03 0.03 0.03 0.02 0.03 0.03 0.04 0.02 0.01 0.08 -0.06 -0.05 0.00 -0.01 -0.08 0.00 0.02 0.02 -0.06 0.10 -0.01 0.01 -0.03 -0.07 0.01 -0.06 -0.13 -0.10 -0.08 -0.05 0.00 0.01 0.02 -0.07 -0.16 0.06 0.01 0.01 0.02 0.01 0.01 0.02 0.01 0.01 0.01 -0.02 0.14 0.05 0.04 -0.20 0.02 -0.03 -0.02 -0.10 0.02 0.02 0.02 0.01 0.01 0.02 0.01 0.01 0.01 -0.06 0.21 0.09 -0.08 -0.07 -0.09 0.01 -0.08 -0.21 -0.21 -0.12 0.00 -0.15 0.00 -0.18 -0.18 -0.14 0.12 -0.03 -0.23 0.14 0.01 0.01 0.02 0.01 0.01 0.01 -0.01 0.18 0.10 0.07 -0.25 0.11 0.13 -0.22 -0.03 0.02 -0.15 -0.05 -0.02 -0.13 -0.19 0.01 0.01 0.01 -0.08 0.33 0.19 0.00 -0.04 0.02 0.00 0.02 -0.04 -0.02 0.04 0.03 -0.01 0.03 -0.01 0.15 -0.04 0.09 -0.00 -0.08 -0.06 0.00 -0.03 0.01 -0.05 0.03 0.04 0.00 -0.08 -0.05 -0.01 -0.08 -0.05 0.14 -0.03 0.10 -0.01 0.01 -0.00 0.00 -0.09 0.03 -0.00 -0.02 0.01 -0.05 0.11 -0.05 -0.00 -0.02 0.01 0.00 -0.06 -0.05 -0.05 0.16 0.00 -0.03 -0.02 0.01 -0.01 0.01 0.00 -0.05 0.13 -0.06 -0.02 0.03 -0.02 -0.02 0.01 0.00 -0.16 -0.03 -0.00 0.01 -0.15 -0.19 0.23 -0.04 0.07 0.13 0.03 0.18 -0.16 -0.16 -0.05 0.08 -0.25 0.07 -0.07 0.16 -0.07 0.01 -0.06 0.02 0.02 -0.09 -0.10 -0.23 0.02 -0.02 0.22 0.22 0.05 -0.18 0.43 -0.05 -0.04 -0.02 0.02 -0.08 0.19 -0.09 -0.03 0.04 0.02 -0.01 0.00 0.02 -0.03 0.04 0.18 0.07 -0.05 -0.10 0.06 -0.05 0.02 0.08 0.03 -0.00 -0.02 -0.01 -0.06 -0.03 0.06 -0.04 0.03 -0.00 0.04 -0.03 0.01 -0.09 -0.07 -0.01 -0.13 0.05 0.05 0.04 -0.02 0.03 -0.02 -0.02 -0.01 0.04 -0.06 0.13 -0.06 0.05 -0.15 0.06 -0.07 0.14 -0.07 -0.04 -0.06 -0.04 -0.03 0.09 0.02 0.03 0.02 -0.01 -0.00 0.04 -0.00 0.06 -0.19 0.08 -0.01 -0.01 0.00 -0.01 -0.05 0.03 -0.23 -0.00 -0.07 -0.06 -0.07 -0.28 0.08 0.07 0.02 0.04 0.09 0.07 -0.13 -0.04 0.02 0.03 -0.12 0.07 0.09 -0.28 0.12 -0.10 0.23 -0.11 -0.08 -0.09 -0.06 -0.14 -0.02 0.04 0.14 0.11 0.02 -0.12 0.27 -0.00 0.05 0.06 -0.02 0.12 -0.35 0.15 -0.01 -0.08 0.06 0.06 -0.06 0.10 0.00 0.06 0.11 0.08 -0.02 -0.12 0.08 -0.03 -0.04 -0.09 -0.08 0.08 -0.01 -0.08 0.04 0.04 -0.11 -0.01 -0.16 0.04 -0.03 0.00 -0.09 0.09 0.01 -0.05 0.17 -0.00 -0.11 0.02 0.00 0.02 -0.05 0.05 0.01 -0.06 -0.04 0.13 -0.10 0.02 0.04 -0.05 -0.06 0.19 -0.11 0.03 0.02 -0.00 0.01 -0.02 -0.04 -0.13 -0.07 0.02 0.02 0.05 -0.04 0.01 0.09 -0.05 -0.01 0.13 -0.06 -0.06 0.09 -0.04 0.14 -0.03 0.12 0.00 -0.00 0.28 0.01 -0.13 0.02 0.02 -0.18 0.02 0.21 0.01 -0.11 -0.01 0.15 -0.11 0.06 -0.01 -0.03 -0.09 0.23 -0.12 0.11 0.03 -0.00 0.12 0.16 -0.14 -0.24 -0.00 0.04 0.12 -0.25 0.01 -0.19 -0.14 0.05 0.03 0.05 -0.03 -0.06 0.18 -0.08 -0.01 0.17 0.16 0.15 0.03 -0.03 0.10 0.09 0.17 0.23 0.04 -0.16 -0.21 -0.04 -0.03 -0.07 -0.10 -0.12 -0.05 -0.04 -0.15 -0.09 0.02 0.06 -0.08 -0.05 -0.10 -0.14 0.00 -0.02 -0.02 0.03 0.05 -0.01 -0.08 -0.08 0.02 0.11 0.01 0.01 -0.17 -0.02 0.06 -0.07 -0.05 0.03 -0.21 0.02 -0.10 -0.06 -0.04 -0.03 0.14 0.02 -0.07 -0.05 -0.05 0.11 -0.02 -0.01 0.08 -0.08 -0.00 0.06 -0.11 0.03 -0.11 0.02 0.07 -0.09 0.03 -0.04 -0.15 0.05 0.03 0.05 0.14 0.01 0.04 -0.08 0.17 0.11 0.10 -0.04 -0.03 0.20 -0.03 0.09 -0.03 -0.09 0.01 -0.24 0.05 -0.11 -0.09 -0.07 -0.01 0.21 -0.05 -0.12 0.16 0.07 0.01 0.06 0.05 -0.05 -0.06 -0.08 0.10 -0.05 -0.00 -0.12 0.07 0.14 -0.05 0.03 0.13 0.03 0.02 0.01 0.02 0.03 0.04 0.10 -0.00 -0.12 0.28 0.12 0.11 -0.05 0.14 0.16 -0.04 -0.03 -0.03 0.02 -0.08 -0.06 -0.03 0.04 0.04 0.01 -0.00 -0.03 -0.02 -0.00 -0.07 -0.04 -0.05 -0.07 -0.02 -0.03 -0.03 -0.05 -0.05 -0.06 -0.03 -0.01 -0.07 -0.06 -0.04 -0.05 -0.03 0.03 0.05 -0.00 -0.13 -0.02 -0.02 0.08 0.09 0.01 -0.01 -0.04 -0.03 0.01 -0.06 -0.05 -0.01 -0.04 0.02 -0.12 -0.09 -0.24 -0.01 0.06 0.04 -0.15 -0.28 -0.18 -0.20 0.03 -0.11 0.13 -0.30 -0.02 -0.00 0.02 -0.02 -0.04 -0.04 -0.03 0.01 -0.09 -0.07 -0.05 -0.04 -0.05 0.05 0.08 0.08 -0.04 -0.03 -0.15 -0.15 -0.02 0.07 -0.28 0.01 -0.03 0.14 0.15 -0.02 0.04 -0.07 0.05 -0.23 -0.21 0.01 -0.00 -0.04 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.03 0.01 0.03 0.09 0.04 0.12 0.01 -0.06 -0.08 0.00 0.02 -0.01 -0.00 0.03 0.04 -0.00 -0.02 -0.04 -0.04 0.01 -0.00 -0.06 -0.03 0.01 0.01 0.02 0.01 0.01 0.06 -0.03 0.01 0.01 0.02 0.01 0.00 0.02 0.02 -0.01 0.02 0.00 -0.05 -0.05 -0.04 0.01 0.00 0.01 -0.01 -0.03 -0.00 0.00 0.01 0.01 -0.01 0.02 0.02 -0.01 0.02 -0.01 0.01 0.02 -0.18 0.05 0.04 -0.03 -0.04 -0.13 -0.17 -0.16 0.08 -0.10 -0.01 -0.16 0.17 0.07 -0.06 -0.06 0.21 -0.07 0.01 0.01 0.02 0.03 -0.02 0.02 -0.00 -0.08 -0.08 0.18 0.35 -0.18 -0.49 0.05 0.15 0.17 -0.43 0.06 0.01 -0.01 -0.03 0.01 -0.02 0.02 -0.02 0.04 0.06 -0.11 -0.07 0.04 -0.04 0.04 0.13 -0.03 0.05 0.12 0.06 0.01 -0.05 -0.01 0.01 -0.01 0.08 -0.03 -0.17 0.00 -0.11 -0.08 0.18 0.05 0.07 0.07 0.00 -0.07 0.19 0.10 0.09 -0.01 0.01 -0.01 -0.02 -0.07 -0.01 -0.00 0.01 -0.01 -0.10 -0.03 -0.00 -0.06 -0.02 -0.04 -0.12 0.03 -0.04 0.04 -0.02 -0.05 0.01 -0.01 -0.01 0.18 0.02 -0.10 -0.04 0.01 0.04 -0.10 0.04 -0.07 -0.13 0.03 -0.04 0.09 0.02 0.10 0.43 0.20 -0.02 0.19 0.15 0.37 -0.02 0.00 -0.01 -0.02 0.01 -0.02 0.02 0.02 -0.00 -0.01 0.03 -0.01 -0.08 -0.03 -0.02 -0.11 0.05 -0.06 -0.01 -0.06 -0.08 0.06 0.04 -0.02 -0.06 -0.01 0.00 0.05 -0.09 -0.01 0.24 0.04 -0.16 -0.09 0.08 -0.07 0.07 0.02 0.23 -0.02 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.05 -0.10 -0.07 0.02 0.07 0.05 0.01 0.02 0.04 0.04 0.00 -0.04 0.03 0.00 -0.02 -0.00 -0.05 -0.09 0.01 -0.04 0.05 0.00 -0.01 0.00 -0.01 -0.06 0.06 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.03 0.06 0.03 -0.02 0.10 0.03 0.03 0.04 0.01 -0.00 -0.01 -0.00 -0.02 -0.00 -0.01 -0.02 0.00 -0.02 0.04 0.02 -0.03 -0.02 -0.09 -0.08 -0.02 -0.01 -0.12 0.07 0.06 0.01 0.03 -0.05 0.14 -0.06 -0.10 -0.00 0.01 -0.09 0.10 -0.02 -0.02 0.00 -0.01 0.02 -0.02 0.03 0.09 0.06 0.20 0.51 -0.24 -0.41 0.23 0.32 0.16 -0.31 -0.02 0.03 0.04 0.02 -0.01 -0.00 -0.01 0.05 -0.01 -0.06 0.14 -0.02 -0.20 -0.16 0.03 0.30 -0.18 0.10 0.26 0.02 -0.01 -0.05 -0.02 -0.03 0.00 -0.03 0.09 0.13 0.04 -0.15 -0.31 -0.03 -0.03 -0.05 -0.01 -0.04 -0.06 -0.07 -0.03 -0.04 0.02 -0.03 0.01 0.04 -0.03 -0.14 0.01 -0.02 -0.00 -0.11 -0.04 -0.01 0.19 0.04 -0.08 -0.03 -0.03 0.08 -0.01 0.06 0.07 0.00 0.00 -0.01 -0.05 0.04 0.07 -0.14 -0.01 0.08 0.18 0.09 0.04 0.10 0.05 0.10 -0.01 -0.02 -0.06 -0.14 -0.05 -0.01 -0.07 -0.03 -0.12 0.04 -0.01 -0.00 0.03 -0.04 0.04 0.01 -0.03 -0.02 0.01 -0.02 -0.00 0.28 0.06 -0.16 -0.09 -0.06 0.13 -0.01 0.10 0.11 -0.00 0.01 -0.02 0.00 0.01 0.01 0.00 0.00 -0.01 -0.07 0.05 0.11 0.25 0.14 0.06 0.01 -0.06 -0.14 0.08 -0.06 0.01 0.09 -0.09 -0.18 -0.04 0.02 0.20 0.02 -0.07 0.05 0.02 0.07 -0.09 -0.02 -0.02 -0.00 -0.02 -0.05 0.00 -0.03 -0.02 0.01 -0.00 -0.02 -0.01 -0.03 -0.01 -0.08 -0.07 0.11 -0.06 0.03 -0.14 0.06 -0.02 0.09 0.04 0.04 -0.09 0.04 0.07 -0.13 0.08 -0.09 0.29 -0.11 -0.03 -0.03 0.00 -0.03 0.05 0.06 -0.03 -0.02 0.00 0.04 -0.10 0.05 -0.00 0.09 -0.00 -0.07 0.30 -0.11 -0.03 -0.02 0.01 -0.11 -0.07 -0.04 -0.03 -0.05 -0.17 -0.18 0.13 -0.01 -0.10 0.13 -0.15 -0.01 0.12 0.08 -0.03 0.12 0.04 0.13 -0.25 0.12 -0.15 0.41 -0.15 -0.04 -0.03 -0.00 -0.05 0.03 0.07 -0.04 0.03 0.04 -0.03 0.06 0.10 -0.03 -0.02 0.00 0.01 0.02 0.02 -0.04 -0.02 0.01 -0.05 -0.01 0.02 -0.01 -0.01 0.01 -0.02 0.01 0.03 0.00 -0.01 -0.01 -0.04 -0.04 0.05 0.09 -0.01 0.04 0.05 0.02 0.02 0.03 0.04 -0.03 0.05 -0.01 0.00 -0.12 -0.05 -0.06 -0.07 -0.06 0.01 0.03 0.01 -0.01 0.06 0.10 -0.03 -0.00 -0.00 0.00 -0.01 -0.01 -0.02 -0.01 0.00 -0.01 0.14 0.04 -0.00 -0.03 0.02 0.03 0.04 -0.01 0.02 -0.01 -0.01 0.00 -0.01 -0.03 -0.03 -0.03 -0.02 -0.02 0.09 0.08 -0.05 -0.30 -0.11 0.02 -0.15 -0.01 -0.27 -0.17 -0.09 0.06 -0.06 -0.13 -0.12 0.27 0.11 -0.05 -0.04 0.30 -0.10 -0.03 -0.02 -0.00 0.00 0.01 -0.03 0.19 0.05 0.01 -0.23 -0.25 0.14 0.19 -0.06 -0.13 -0.15 0.30 0.14 0.01 -0.05 0.04 0.00 -0.03 -0.02 0.10 0.12 -0.08 0.03 -0.00 -0.00 0.05 -0.02 -0.08 0.01 0.00 0.04 -0.00 -0.02 0.04 -0.07 -0.14 0.19 -0.08 0.17 -0.06 -0.06 0.04 -0.02 0.11 0.01 -0.03 -0.03 0.04 -0.07 -0.04 0.02 0.04 0.04 -0.20 0.11 -0.03 0.01 0.01 0.06 -0.06 -0.08 0.01 -0.01 0.01 -0.00 -0.00 0.03 -0.02 0.07 -0.02 -0.15 0.07 -0.01 0.02 -0.05 -0.07 0.06 0.16 -0.07 0.03 -0.02 0.01 0.01 -0.01 0.03 -0.00 0.06 -0.01 -0.03 -0.05 0.01 -0.07 0.13 0.03 -0.06 0.09 0.05 0.14 -0.26 0.07 0.09 -0.28 0.16 0.23 -0.08 -0.17 0.00 0.07 -0.13 0.02 -0.03 0.03 -0.04 0.10 -0.03 -0.26 0.07 0.00 -0.08 -0.20 -0.01 0.17 -0.09 -0.15 -0.05 0.10 -0.06 0.13 0.25 -0.11 0.02 -0.08 0.05 -0.03 -0.17 0.06 -0.02 -0.00 0.01 -0.01 -0.06 -0.05 -0.06 0.02 0.10 0.04 -0.06 -0.04 -0.05 0.06 0.07 0.05 -0.06 0.00 0.03 0.10 0.01 -0.01 0.02 0.00 -0.01 0.05 0.04 -0.10 0.04 0.05 0.10 0.06 0.04 -0.00 0.10 -0.04 -0.09 -0.08 -0.03 0.00 0.01 -0.01 -0.02 0.05 -0.04 -0.02 0.08 -0.04 0.09 -0.02 -0.02 0.06 -0.09 -0.11 0.01 -0.05 0.01 -0.01 -0.05 0.00 0.03 -0.09 0.02 -0.01 -0.01 -0.01 0.04 0.04 -0.01 -0.16 0.03 0.08 -0.11 0.05 -0.03 0.35 0.07 -0.07 0.12 0.10 0.31 -0.27 -0.08 0.00 0.01 -0.27 0.02 -0.03 0.05 -0.03 -0.03 0.12 -0.07 0.13 -0.03 -0.03 0.26 0.04 -0.05 -0.00 -0.08 -0.09 0.13 -0.27 -0.26 -0.02 -0.08 0.02 0.08 -0.21 0.07 0.04 0.10 -0.02 -0.08 -0.01 0.05 0.14 0.11 -0.00 0.17 0.01 0.05 -0.25 0.11 0.46 -0.03 0.05 0.02 0.01 0.00 0.06 0.05 -0.14 -0.31 -0.02 -0.01 -0.02 0.00 -0.03 -0.06 -0.09 0.01 -0.00 0.05 0.06 0.02 0.04 -0.02 -0.10 -0.05 -0.02 -0.01 0.01 0.00 0.00 0.04 -0.05 -0.11 -0.01 -0.06 -0.13 0.04 0.02 0.04 0.03 -0.04 -0.05 -0.02 -0.01 0.05 0.08 0.08 0.14 0.03 -0.07 -0.19 -0.04 -0.07 -0.16 0.01 0.01 -0.03 -0.17 -0.00 0.03 -0.09 0.00 -0.10 0.18 0.07 -0.05 0.06 0.08 0.16 -0.15 -0.02 0.01 -0.00 -0.13 0.01 -0.01 -0.07 -0.06 0.04 -0.06 -0.16 0.06 0.04 0.05 0.14 0.02 -0.01 -0.00 -0.05 -0.05 0.06 -0.14 -0.14 -0.05 -0.02 0.08 0.03 -0.07 -0.19 0.02 0.02 -0.08 0.20 0.11 0.07 -0.11 -0.05 0.12 -0.15 0.06 0.11 -0.07 -0.01 0.07 0.03 -0.03 -0.02 -0.02 -0.01 -0.03 -0.02 0.10 0.18 -0.00 -0.00 0.02 -0.00 0.02 0.03 0.08 -0.00 0.01 -0.03 -0.04 -0.02 -0.02 0.03 -0.00 0.04 0.01 0.01 0.03 0.01 -0.03 -0.10 -0.01 -0.07 0.05 -0.06 -0.27 -0.03 -0.02 -0.02 -0.02 0.03 0.04 -0.00 -0.00 -0.02 -0.05 -0.00 0.05 -0.03 -0.17 -0.23 0.07 -0.13 -0.28 -0.02 -0.01 0.02 0.18 0.03 -0.03 0.09 -0.00 0.12 -0.13 -0.05 0.03 -0.04 -0.05 -0.13 0.10 0.01 -0.01 0.01 0.07 -0.00 -0.22 0.01 -0.01 0.12 -0.02 -0.34 -0.04 -0.03 -0.03 -0.10 -0.00 -0.00 -0.01 0.04 0.05 -0.04 0.09 0.10 0.01 -0.00 -0.04 -0.16 -0.29 -0.28 -0.03 -0.01 0.05 -0.06 -0.01 -0.01 0.04 -0.03 -0.09 0.02 0.02 0.08 0.01 -0.05 0.04 0.06 -0.04 -0.06 -0.02 -0.00 0.03 0.02 0.01 -0.05 -0.04 -0.03 0.00 -0.00 -0.02 -0.02 0.13 -0.01 0.01 -0.04 -0.06 -0.05 -0.02 0.14 -0.08 0.07 0.00 0.03 -0.02 0.05 -0.02 -0.04 0.19 -0.10 -0.05 0.12 -0.02 -0.02 -0.01 0.03 -0.04 0.06 0.07 -0.04 -0.02 0.03 0.02 -0.02 0.01 0.08 -0.15 0.08 0.02 -0.09 0.07 -0.03 -0.02 0.00 0.30 0.05 -0.07 0.15 -0.02 0.20 -0.23 -0.06 0.04 -0.06 -0.07 -0.24 0.14 -0.00 0.00 0.03 0.08 0.01 -0.07 0.30 -0.15 -0.09 0.23 -0.06 -0.00 -0.00 0.03 -0.17 0.02 -0.02 -0.04 0.08 0.12 -0.07 0.14 0.18 -0.04 -0.03 0.03 0.18 -0.31 0.18 -0.02 -0.02 -0.01 -0.11 -0.04 0.02 -0.04 -0.05 -0.00 -0.04 0.05 0.04 0.03 -0.04 0.02 0.02 -0.03 0.00 -0.02 -0.02 0.02 0.08 0.21 -0.03 -0.08 -0.03 0.01 0.01 0.06 -0.03 0.07 0.06 0.00 0.00 -0.07 -0.01 0.09 0.15 -0.08 0.06 -0.05 -0.00 0.04 0.10 -0.02 0.16 -0.18 0.02 0.10 -0.09 0.05 -0.04 -0.04 0.02 -0.01 0.01 0.02 -0.06 -0.03 0.02 -0.00 0.01 -0.00 0.04 0.08 -0.10 -0.05 0.12 -0.08 -0.06 -0.03 0.01 0.19 0.15 -0.06 0.09 0.06 0.17 -0.07 -0.09 0.02 0.00 -0.09 -0.10 0.06 -0.06 -0.02 0.05 -0.04 -0.00 0.22 -0.45 0.17 0.25 -0.36 0.13 -0.04 -0.04 0.02 -0.09 0.01 -0.06 -0.02 0.05 0.08 -0.02 0.06 0.08 -0.08 -0.06 0.03 0.10 0.10 -0.08 -0.06 -0.02 -0.00 -0.10 -0.04 0.02 0.05 -0.03 0.14 -0.13 -0.06 -0.09 -0.03 0.17 -0.06 0.02 -0.04 0.01 -0.03 0.02 -0.00 0.09 0.07 0.06 -0.06 -0.03 0.01 0.07 -0.01 -0.05 0.06 0.01 -0.07 -0.02 0.02 0.10 0.17 -0.10 0.04 -0.09 0.09 -0.01 0.16 -0.17 0.10 0.08 0.09 -0.08 0.04 0.12 -0.05 -0.09 -0.02 0.02 0.02 -0.02 -0.05 -0.06 0.01 0.00 0.04 -0.04 0.03 0.11 -0.04 -0.04 0.02 -0.01 -0.02 -0.08 -0.05 0.01 0.05 0.06 -0.07 0.05 0.04 -0.04 0.12 0.04 0.03 -0.03 0.08 0.24 0.08 0.09 -0.05 -0.15 0.22 -0.05 -0.03 0.31 -0.16 0.01 0.37 -0.19 -0.14 -0.01 0.03 0.13 -0.05 0.11 0.07 -0.09 -0.17 0.02 -0.06 -0.15 -0.06 0.01 0.00 0.15 -0.01 -0.03 -0.08 -0.07 0.02 0.03 0.01 -0.00 -0.04 -0.00 -0.05 0.04 0.03 0.02 0.02 -0.06 0.02 0.05 -0.08 -0.00 0.01 -0.01 0.04 -0.02 -0.01 0.01 -0.03 -0.03 -0.01 0.01 -0.07 -0.13 0.11 0.00 -0.10 -0.04 0.03 0.15 -0.04 0.03 0.00 -0.14 0.14 -0.01 -0.04 0.07 -0.03 -0.03 -0.02 0.03 -0.00 -0.03 0.01 0.03 0.00 0.05 0.02 -0.02 -0.07 -0.02 -0.02 0.05 -0.01 0.02 -0.01 -0.04 0.01 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.01 0.21 0.16 -0.17 0.13 -0.01 0.07 0.16 0.06 0.06 -0.06 0.13 0.36 0.15 0.14 -0.08 -0.25 0.37 -0.08 -0.01 -0.08 0.06 0.01 -0.10 0.05 0.06 0.03 0.07 0.20 -0.07 0.18 0.10 -0.13 -0.25 0.03 -0.09 -0.23 -0.05 -0.04 0.08 -0.06 0.01 -0.00 0.01 0.01 -0.04 0.08 0.01 -0.02 0.16 0.21 0.05 0.08 -0.18 0.07 -0.19 0.07 -0.10 0.01 -0.03 0.03 0.04 -0.05 0.07 -0.08 0.24 0.05 -0.04 -0.01 0.01 -0.07 0.07 -0.10 0.06 0.11 -0.05 0.00 -0.06 0.02 -0.08 -0.02 -0.10 0.04 -0.04 -0.01 -0.07 -0.20 -0.01 -0.02 -0.06 -0.07 -0.12 -0.03 0.03 0.12 -0.04 0.03 -0.00 -0.00 -0.00 -0.01 -0.10 0.06 -0.07 -0.11 -0.01 -0.00 -0.02 0.06 -0.07 0.14 0.01 0.04 0.04 -0.01 0.24 0.35 -0.16 0.10 0.08 0.23 -0.03 -0.09 0.03 0.01 -0.08 -0.03 0.07 -0.06 -0.04 0.03 -0.02 -0.02 0.06 -0.09 -0.11 -0.20 -0.06 0.10 0.22 -0.05 0.00 -0.05 -0.01 -0.05 -0.00 0.02 0.03 -0.01 0.03 0.03 -0.05 -0.18 0.05 0.09 -0.10 0.13 0.04 0.11 -0.05 -0.04 -0.02 -0.01 -0.04 0.16 -0.02 0.16 0.01 0.13 -0.12 -0.16 -0.00 0.01 -0.01 -0.02 -0.03 0.04 -0.07 0.06 0.02 0.26 0.03 0.02 0.02 0.06 0.02 0.20 0.00 -0.10 0.03 -0.02 0.04 0.03 0.09 -0.09 -0.10 -0.07 0.06 0.01 -0.05 0.02 -0.11 0.12 -0.03 -0.16 -0.03 -0.00 0.01 -0.11 -0.02 -0.08 0.01 -0.00 -0.01 0.01 0.05 -0.10 -0.10 -0.00 -0.07 0.13 0.06 -0.06 0.05 -0.06 0.07 -0.05 -0.02 0.03 -0.13 -0.32 0.12 -0.03 -0.07 -0.18 0.06 0.07 -0.00 -0.02 0.08 0.12 0.01 0.07 0.00 -0.09 0.12 -0.01 0.18 0.03 -0.24 -0.09 0.04 0.03 -0.18 -0.06 -0.12 0.09 -0.01 0.09 0.03 -0.04 -0.08 0.02 -0.04 -0.08 0.06 0.06 -0.17 0.21 0.23 -0.06 -0.06 -0.07 0.10 0.00 -0.00 0.00 0.11 -0.01 0.03 -0.08 -0.08 0.02 -0.03 0.10 -0.05 0.04 -0.02 -0.04 -0.02 0.02 -0.03 0.02 -0.11 0.01 0.05 0.02 -0.00 -0.00 -0.05 0.13 0.02 -0.13 0.05 -0.02 0.04 0.02 -0.07 0.20 -0.08 -0.07 0.06 0.01 -0.02 0.05 -0.02 -0.01 0.03 0.00 0.03 -0.09 0.03 -0.04 0.02 -0.04 0.00 0.01 -0.01 0.03 0.05 -0.04 0.02 -0.07 0.03 0.02 -0.07 0.03 -0.06 0.17 -0.08 0.01 0.00 0.00 -0.03 -0.31 0.10 0.01 -0.15 -0.07 0.04 0.07 -0.01 -0.03 0.09 0.10 0.03 0.07 0.00 -0.10 0.14 -0.01 0.09 -0.26 0.13 0.15 -0.40 0.17 -0.06 0.02 -0.03 0.08 -0.00 0.09 0.03 -0.03 -0.07 0.01 -0.03 -0.07 0.06 0.09 -0.06 0.14 -0.41 0.17 0.00 -0.03 0.04 -0.02 0.00 0.02 -0.02 0.19 -0.03 0.06 -0.15 0.12 -0.09 -0.10 -0.18 -0.03 0.03 0.02 0.03 -0.07 -0.10 0.11 -0.06 -0.10 -0.02 -0.02 -0.01 0.08 -0.08 -0.09 -0.02 0.01 0.01 0.01 0.02 -0.04 0.09 0.11 0.16 0.02 -0.01 -0.00 0.07 0.09 0.11 -0.01 0.06 0.17 0.11 0.04 -0.03 -0.06 0.09 0.12 0.00 -0.00 0.01 -0.04 0.08 0.07 -0.11 -0.05 -0.00 -0.05 -0.03 -0.06 0.02 -0.06 -0.08 -0.02 -0.07 -0.05 -0.06 0.03 0.02 -0.04 0.05 -0.02 -0.02 0.01 -0.02 0.02 -0.01 -0.06 -0.08 -0.00 0.03 0.05 -0.09 0.02 -0.17 0.04 0.29 0.24 0.06 -0.13 -0.13 0.24 0.29 -0.02 0.00 -0.02 -0.02 0.01 0.02 0.00 0.00 0.04 -0.09 0.24 0.25 -0.19 -0.08 -0.13 -0.01 -0.12 -0.09 -0.00 -0.01 0.00 -0.12 0.01 0.02 0.08 0.12 -0.07 0.02 -0.06 0.06 -0.02 0.03 0.02 0.02 -0.11 -0.12 -0.02 0.00 0.10 0.01 0.01 0.01 -0.01 -0.09 -0.07 -0.02 -0.01 0.02 0.01 0.03 -0.04 -0.00 -0.06 -0.03 0.01 0.00 -0.00 0.05 -0.17 0.03 -0.02 0.08 -0.09 0.02 -0.09 0.04 -0.02 0.11 0.11 -0.00 -0.00 0.01 -0.00 0.06 0.06 -0.00 0.06 -0.04 0.07 -0.11 0.06 -0.07 0.23 -0.08 0.03 -0.06 -0.08 0.02 0.10 -0.01 -0.01 -0.02 0.10 -0.02 0.01 -0.02 0.01 0.00 -0.06 -0.09 0.00 0.03 0.05 -0.08 0.02 0.02 0.09 -0.13 0.01 -0.18 0.11 -0.05 0.29 0.31 -0.02 -0.00 -0.01 -0.02 -0.00 0.01 0.00 -0.00 0.03 -0.04 0.23 0.24 0.23 -0.39 0.21 0.05 -0.12 -0.14 -0.00 0.00 -0.01 0.13 -0.09 0.02 -0.09 -0.02 0.02 -0.01 0.08 0.03 -0.02 0.02 0.02 0.03 -0.14 -0.15 -0.02 0.03 0.12 0.01 0.02 0.01 -0.02 -0.08 -0.06 -0.02 -0.01 0.02 0.01 0.03 -0.03 -0.04 0.00 -0.09 0.01 0.00 -0.00 -0.07 0.12 -0.12 0.03 -0.11 -0.05 -0.05 0.05 -0.01 -0.02 0.14 0.13 -0.00 -0.00 0.01 -0.00 0.06 0.07 0.05 -0.05 0.01 -0.01 0.11 -0.02 0.06 -0.15 0.11 0.04 -0.07 -0.10 0.04 0.09 -0.02 -0.00 -0.03 0.13 -0.02 0.01 -0.02 0.01 0.01 -0.05 -0.08 0.01 0.02 0.04 -0.07 0.02 0.12 -0.17 -0.08 -0.11 0.07 0.02 -0.05 0.34 0.37 -0.01 0.00 -0.01 -0.02 -0.00 0.01 0.00 -0.00 0.03 -0.04 0.27 0.28 -0.02 0.34 -0.08 0.06 -0.15 -0.17 0.05 0.02 -0.00 -0.02 0.00 -0.00 0.02 0.01 -0.02 0.02 -0.00 0.01 0.05 -0.05 -0.07 0.03 -0.06 -0.08 0.07 0.07 -0.18 -0.06 0.11 0.14 0.03 0.20 0.20 0.05 -0.01 -0.00 -0.02 -0.06 0.06 0.04 -0.00 -0.03 -0.02 -0.01 0.01 0.02 -0.05 0.04 -0.11 -0.09 -0.06 -0.01 0.05 0.07 -0.04 0.06 0.09 -0.00 0.00 -0.01 -0.01 -0.06 -0.08 -0.00 0.01 0.00 -0.13 -0.03 0.03 -0.08 -0.02 0.05 0.00 -0.12 -0.11 -0.07 -0.34 0.10 0.02 0.02 -0.23 0.05 -0.01 0.02 -0.03 0.00 0.13 0.21 -0.01 -0.05 -0.12 0.19 -0.06 -0.18 -0.01 -0.07 -0.03 0.13 0.03 -0.10 0.19 0.25 0.03 0.01 0.02 0.06 0.02 0.01 -0.01 0.01 -0.08 -0.01 -0.10 -0.10 -0.10 0.06 0.03 0.04 -0.28 -0.30 -0.04 -0.02 -0.01 -0.04 0.03 -0.07 -0.00 -0.08 -0.02 0.08 0.03 0.01 0.02 -0.01 -0.01 -0.02 -0.00 0.02 -0.10 0.02 0.04 -0.01 0.15 0.15 -0.09 0.02 0.02 -0.00 -0.02 -0.00 -0.00 -0.01 0.01 -0.07 0.02 0.09 -0.01 -0.00 0.00 -0.13 -0.03 0.07 0.20 0.14 0.18 -0.14 -0.11 -0.15 0.02 0.06 0.05 -0.00 0.00 -0.00 0.05 -0.11 -0.09 -0.04 0.02 0.08 0.20 0.04 -0.10 0.08 -0.01 -0.07 0.06 -0.09 -0.13 0.06 0.01 -0.03 0.03 -0.08 0.08 0.01 -0.01 0.01 -0.01 0.01 0.02 0.05 -0.00 -0.01 -0.03 0.04 -0.01 0.21 0.15 0.16 -0.15 -0.08 -0.17 0.04 0.12 0.11 0.01 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.02 0.10 -0.27 -0.29 0.08 0.01 -0.15 0.11 -0.27 -0.34 -0.01 0.00 0.01 0.04 -0.02 0.05 -0.01 0.05 0.03 -0.08 -0.03 -0.03 -0.04 0.03 0.04 -0.03 0.11 0.12 0.01 -0.07 0.06 -0.03 0.14 0.16 0.03 -0.12 -0.14 -0.02 0.02 -0.01 0.01 0.04 -0.04 0.02 -0.01 -0.02 0.02 0.01 -0.01 0.08 0.06 -0.07 -0.07 -0.02 -0.04 0.12 0.05 0.04 -0.01 0.01 0.01 0.00 -0.00 0.00 0.03 -0.11 -0.13 0.02 -0.02 -0.06 -0.06 -0.01 0.05 0.01 0.02 0.00 0.02 -0.09 -0.10 0.00 0.20 -0.05 -0.03 0.04 0.07 -0.03 0.00 -0.01 0.02 -0.01 -0.08 -0.14 0.00 0.03 0.08 -0.13 0.04 -0.03 -0.06 -0.03 0.15 -0.02 0.08 -0.01 -0.04 -0.05 -0.02 -0.01 -0.01 -0.04 -0.01 -0.01 0.01 -0.01 0.06 0.11 -0.43 -0.48 -0.02 -0.06 0.08 0.06 -0.28 -0.29 0.08 0.02 -0.02 -0.05 0.04 -0.12 -0.03 -0.16 -0.02 0.19 0.11 0.07 -0.07 0.03 0.06 0.04 0.08 0.03 0.17 -0.05 0.13 -0.07 -0.02 0.02 0.24 -0.06 -0.09 0.01 0.11 -0.06 0.01 0.03 -0.04 0.12 -0.02 -0.03 0.04 -0.00 -0.02 -0.17 0.11 0.07 -0.04 -0.02 -0.15 -0.16 -0.06 0.10 -0.06 -0.04 0.02 0.00 -0.01 -0.00 -0.06 0.01 -0.04 -0.08 0.03 0.16 -0.01 -0.07 -0.07 -0.18 -0.01 0.03 -0.08 -0.05 0.02 -0.16 0.12 0.01 -0.08 0.31 -0.23 -0.03 0.00 -0.01 0.04 -0.05 -0.08 -0.18 -0.01 0.02 0.12 -0.18 0.05 -0.11 -0.10 -0.05 -0.06 -0.22 0.14 -0.14 -0.09 -0.02 -0.05 -0.02 -0.04 -0.06 -0.02 -0.01 0.01 -0.01 0.09 -0.07 -0.12 -0.12 0.16 -0.12 0.03 -0.07 -0.06 -0.01 -0.03 -0.01 0.00 0.09 -0.06 0.04 -0.01 0.06 0.02 -0.08 -0.02 -0.02 -0.03 0.01 -0.00 0.06 -0.02 -0.06 -0.04 -0.14 0.05 -0.07 -0.04 0.01 0.13 0.18 0.07 0.04 0.22 -0.13 -0.01 -0.05 0.05 -0.02 -0.11 0.07 0.04 -0.06 -0.01 -0.07 0.13 -0.12 0.01 0.12 0.07 -0.00 -0.08 -0.05 0.02 -0.04 0.05 0.00 -0.01 -0.02 -0.05 -0.02 0.01 0.04 -0.02 -0.06 0.05 -0.02 0.06 0.05 0.07 -0.04 -0.03 -0.03 0.02 -0.20 0.02 -0.01 -0.05 0.41 -0.43 0.01 -0.02 0.03 -0.01 -0.06 0.07 0.17 -0.06 -0.03 -0.01 0.04 -0.05 0.05 0.14 0.03 0.03 -0.32 0.09 -0.05 0.00 0.11 -0.05 0.01 -0.10 0.03 0.05 0.07 -0.02 0.04 -0.03 -0.12 0.01 0.13 0.01 -0.16 0.07 -0.04 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 -0.01 0.02 0.02 -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 0.02 -0.09 -0.10 0.00 0.00 0.00 -0.00 0.03 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.04 -0.04 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.13 0.56 0.63 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.04 -0.13 -0.15 -0.00 0.00 -0.00 -0.08 0.30 0.34 0.02 0.00 -0.01 0.06 -0.06 0.05 0.05 0.14 -0.07 -0.08 -0.05 -0.03 -0.03 -0.02 0.03 0.04 0.03 0.00 0.11 -0.02 0.02 -0.03 -0.01 0.00 0.13 -0.02 -0.01 0.04 0.01 -0.01 0.01 0.02 -0.02 -0.05 0.21 -0.04 0.01 0.05 -0.01 -0.03 -0.20 0.09 0.03 0.02 0.11 -0.17 -0.04 -0.05 -0.03 -0.02 0.02 0.00 0.01 -0.00 -0.03 0.02 -0.02 0.02 -0.01 -0.05 -0.03 0.08 -0.03 -0.02 -0.09 0.04 -0.04 -0.02 0.01 -0.07 -0.07 0.05 -0.02 0.13 -0.16 -0.03 -0.01 0.01 0.03 -0.05 -0.06 -0.25 -0.00 -0.03 0.11 -0.16 0.11 0.13 -0.43 0.35 -0.31 0.19 -0.12 -0.08 -0.06 -0.02 -0.01 -0.05 0.06 -0.10 -0.08 -0.12 0.04 -0.05 0.13 -0.04 -0.03 -0.04 -0.02 -0.13 0.03 -0.03 -0.03 -0.01 -0.01 -0.00 0.00 -0.05 0.03 -0.01 -0.00 -0.03 0.00 0.03 0.01 0.02 -0.00 0.06 -0.02 0.00 0.00 -0.00 -0.03 -0.08 0.06 -0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.02 0.07 -0.01 -0.02 -0.01 0.00 -0.05 0.08 -0.06 0.00 -0.11 0.02 0.06 -0.08 0.02 -0.01 -0.01 -0.03 0.04 0.04 -0.00 0.01 -0.00 0.00 -0.00 -0.03 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.05 -0.02 0.04 -0.04 0.02 0.00 -0.00 0.00 -0.05 0.08 -0.00 -0.03 0.09 -0.06 0.06 0.04 -0.04 -0.04 0.09 0.10 0.48 0.01 0.10 -0.19 0.26 -0.24 0.14 -0.34 0.09 0.01 0.14 -0.05 0.00 0.00 0.01 -0.02 0.10 -0.18 0.21 0.18 0.29 -0.09 0.11 -0.26 -0.01 -0.01 0.00 0.07 -0.12 0.07 0.00 0.01 0.00 0.02 0.00 -0.01 0.07 -0.05 0.02 0.01 0.07 -0.02 -0.05 -0.03 -0.03 0.01 0.05 -0.01 -0.01 0.01 0.02 0.07 0.08 -0.02 0.01 0.01 -0.01 0.01 -0.07 -0.05 -0.04 -0.05 0.07 -0.01 0.01 -0.03 0.07 -0.03 0.06 -0.03 -0.09 0.03 -0.08 0.05 0.02 0.02 0.01 0.04 -0.09 -0.04 0.02 -0.02 0.01 -0.01 -0.00 -0.03 0.02 0.00 0.02 -0.00 0.00 -0.00 -0.02 0.01 -0.05 -0.02 -0.09 0.01 0.00 -0.01 0.00 -0.00 0.02 0.01 0.04 -0.02 -0.10 0.13 0.08 0.05 -0.08 -0.03 0.12 0.08 0.44 0.06 0.14 -0.21 0.26 -0.25 -0.15 0.26 -0.02 -0.06 -0.11 0.04 -0.02 -0.00 -0.02 0.02 0.12 -0.13 0.23 0.18 0.29 -0.09 0.11 -0.28 0.03 -0.04 -0.08 -0.04 0.10 -0.09 -0.01 -0.02 0.01 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.04 0.04 -0.01 -0.00 0.00 -0.00 0.03 0.03 -0.01 -0.01 -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 0.01 0.00 0.00 -0.01 -0.00 0.01 0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.03 -0.12 -0.13 -0.00 0.00 0.00 0.01 -0.00 -0.02 -0.02 -0.01 0.00 0.01 -0.03 -0.03 0.01 0.02 -0.01 0.00 -0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.02 0.01 0.01 0.01 -0.00 0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.16 0.60 0.67 0.03 -0.02 -0.01 -0.06 0.24 0.26 -0.02 -0.01 0.01 -0.04 0.02 -0.01 -0.01 -0.03 0.01 0.02 0.02 0.03 -0.01 0.00 0.01 0.03 0.03 0.01 0.06 -0.00 0.01 -0.02 0.00 0.00 0.07 -0.03 -0.02 0.02 -0.00 0.02 0.00 0.01 -0.03 -0.06 0.10 -0.08 -0.01 -0.00 -0.00 0.01 -0.06 -0.06 0.01 -0.09 0.07 -0.01 -0.04 -0.09 -0.01 -0.01 0.01 0.00 -0.00 0.01 -0.01 -0.00 -0.03 0.01 -0.01 -0.01 -0.02 -0.05 0.15 0.08 0.07 -0.03 -0.02 -0.02 -0.00 -0.06 -0.06 0.06 -0.01 0.06 -0.09 0.03 0.00 -0.04 0.01 0.01 0.01 0.02 0.03 0.04 -0.02 0.02 -0.04 -0.14 0.54 -0.27 -0.10 -0.02 -0.05 -0.05 -0.03 -0.00 0.01 0.02 -0.01 0.04 0.03 0.06 -0.01 0.02 -0.03 -0.05 0.08 0.08 -0.33 0.55 -0.16 -0.03 0.04 0.05 0.02 0.00 -0.00 0.03 -0.02 0.01 0.02 0.04 -0.03 -0.03 -0.02 -0.04 0.00 0.01 -0.02 -0.03 -0.02 -0.02 -0.09 -0.13 0.06 0.01 -0.01 0.01 -0.06 0.01 0.04 -0.00 0.07 -0.07 -0.02 -0.00 0.07 -0.03 0.14 -0.03 0.05 -0.01 0.01 0.02 -0.00 0.10 0.07 -0.09 -0.00 0.02 0.07 0.13 0.02 0.02 -0.01 -0.01 -0.01 -0.05 0.00 -0.00 0.03 -0.01 -0.00 0.02 0.10 -0.11 -0.13 -0.14 -0.00 0.00 0.03 0.02 0.00 0.01 0.11 -0.08 0.00 0.08 -0.03 -0.10 0.04 0.10 -0.03 -0.01 -0.00 0.00 -0.07 -0.07 0.06 -0.04 0.07 -0.23 0.45 -0.18 0.12 0.10 0.04 0.04 0.03 0.00 -0.08 -0.05 -0.08 -0.08 -0.04 -0.08 0.00 -0.01 0.06 0.04 -0.06 -0.06 -0.00 0.51 -0.34 0.04 -0.03 -0.05 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 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 0.07 0.07 -0.00 0.00 -0.00 -0.01 0.03 0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.10 -0.11 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 -0.30 -0.34 -0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.01 0.05 -0.17 -0.20 0.00 -0.00 -0.00 -0.13 0.56 0.59 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 -0.03 0.03 0.00 0.01 -0.02 -0.05 -0.03 0.01 -0.02 -0.02 0.02 -0.00 0.04 -0.01 0.01 0.03 -0.00 0.04 -0.11 -0.19 -0.02 0.02 -0.00 -0.15 0.04 -0.09 0.01 0.00 0.02 0.01 -0.01 -0.01 0.02 0.03 0.04 0.02 -0.00 0.01 0.05 0.06 0.22 -0.02 -0.00 0.00 -0.00 -0.00 0.01 0.03 -0.02 -0.05 -0.03 -0.01 0.00 0.02 -0.00 0.00 -0.07 0.03 0.03 -0.01 0.07 -0.09 0.46 -0.28 -0.35 0.08 -0.09 0.13 -0.14 0.11 0.02 -0.16 0.05 -0.11 -0.02 0.03 -0.02 0.05 0.03 0.02 -0.00 -0.01 0.00 0.25 0.10 0.40 0.15 0.04 0.16 0.07 -0.01 0.04 -0.01 -0.01 -0.02 0.04 0.05 -0.06 0.02 0.04 -0.02 0.00 -0.00 0.00 0.02 -0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.05 -0.02 -0.01 0.02 -0.01 0.05 -0.15 0.07 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 -0.02 0.01 -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.10 0.04 -0.30 0.84 -0.37 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.07 -0.11 0.10 -0.02 -0.03 0.01 0.14 0.32 -0.26 -0.01 0.01 0.01 -0.01 0.03 -0.02 0.00 -0.03 -0.01 -0.01 0.01 -0.00 -0.02 0.00 -0.02 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.09 -0.17 0.15 0.01 0.01 0.03 0.20 0.00 0.05 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.33 -0.03 -0.07 0.01 0.06 -0.03 -0.00 0.03 0.01 0.07 -0.05 -0.04 0.00 -0.01 0.04 -0.02 -0.01 -0.04 -0.02 0.01 0.01 -0.01 0.01 -0.00 0.01 0.02 0.00 0.30 -0.15 0.13 0.02 -0.00 0.06 -0.00 -0.01 -0.01 0.02 -0.01 0.05 -0.06 -0.28 0.20 0.01 0.03 -0.02 -0.38 -0.26 0.24 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.04 -0.02 -0.01 -0.00 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.01 -0.01 0.01 0.02 -0.09 -0.05 -0.00 0.01 -0.00 0.00 0.01 -0.03 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 -0.01 0.08 0.01 -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 0.01 0.00 -0.00 -0.03 0.01 0.03 -0.00 -0.02 -0.01 0.33 -0.00 -0.20 -0.12 0.18 0.42 0.01 -0.09 -0.13 -0.03 0.17 0.35 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.27 -0.13 -0.21 -0.20 -0.03 -0.01 0.08 0.10 0.47 0.01 0.01 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.11 0.13 0.02 0.01 -0.02 -0.06 0.01 -0.02 -0.02 0.00 -0.01 0.00 0.07 -0.02 0.10 -0.08 -0.02 -0.04 0.15 -0.10 -0.04 -0.01 0.00 0.02 0.04 0.02 0.00 0.00 0.00 0.01 -0.00 0.00 0.02 0.02 0.03 0.04 -0.04 0.05 0.02 -0.08 -0.06 -0.01 0.02 -0.01 -0.00 0.01 -0.00 0.02 0.00 -0.04 -0.01 -0.01 0.00 -0.02 -0.01 0.00 -0.02 -0.18 0.05 0.07 -0.05 -0.14 0.13 0.05 -0.15 0.01 0.07 0.11 -0.10 0.27 0.43 0.04 0.02 0.08 -0.00 0.03 -0.02 0.04 0.03 0.01 0.04 -0.06 0.03 -0.26 0.03 -0.49 0.01 0.16 0.30 -0.09 0.18 0.01 -0.02 -0.01 -0.01 0.05 -0.05 -0.01 -0.01 0.05 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 -0.01 0.01 -0.04 0.10 -0.05 -0.01 0.03 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.04 -0.11 0.05 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.01 0.02 0.00 0.00 0.01 0.21 -0.57 0.26 0.05 -0.12 0.06 0.00 0.00 -0.00 -0.01 0.00 -0.02 0.00 0.01 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.23 0.62 -0.28 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.03 -0.09 0.09 0.08 -0.04 -0.10 0.03 0.02 -0.07 -0.01 -0.01 0.04 0.03 -0.17 -0.01 -0.05 0.20 0.01 -0.03 0.04 -0.06 -0.01 0.01 0.01 -0.03 0.03 0.00 0.00 -0.00 0.00 0.00 -0.01 0.03 0.03 0.04 0.15 -0.16 0.17 -0.02 0.04 -0.02 -0.06 0.13 -0.13 0.01 -0.00 0.01 0.04 -0.01 -0.05 -0.01 -0.00 0.00 -0.04 -0.05 0.04 -0.18 -0.36 0.32 -0.03 -0.10 -0.13 -0.09 0.09 0.07 -0.03 0.03 -0.01 0.12 -0.15 -0.20 -0.03 0.06 0.05 0.02 -0.02 -0.01 0.05 0.04 0.04 0.04 -0.18 0.20 0.06 -0.05 0.17 -0.07 -0.10 -0.22 0.04 -0.09 0.02 -0.05 0.15 -0.14 0.06 0.02 -0.06 -0.01 0.22 -0.23 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.02 0.01 0.03 0.02 0.00 -0.01 0.03 -0.04 -0.00 -0.03 -0.02 0.01 -0.01 0.02 0.11 -0.12 -0.04 -0.13 -0.00 0.00 -0.00 0.04 0.02 -0.01 -0.01 -0.00 -0.02 -0.00 0.01 0.02 -0.01 -0.01 -0.01 -0.01 -0.02 -0.02 0.08 -0.07 0.09 0.02 -0.01 0.01 -0.03 0.12 -0.12 -0.01 0.00 0.02 -0.02 0.01 0.03 0.02 0.00 -0.00 -0.03 -0.03 0.02 0.36 0.35 -0.37 -0.02 -0.14 0.53 0.04 -0.08 -0.01 -0.02 0.05 0.01 -0.02 0.02 0.01 -0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.03 0.16 -0.06 0.10 -0.04 -0.00 -0.05 0.00 0.03 0.07 0.01 0.04 0.06 0.07 0.24 -0.20 -0.02 0.00 0.03 -0.02 0.12 -0.11 -0.02 -0.01 0.00 0.11 -0.09 -0.01 0.02 -0.01 -0.03 -0.06 -0.09 -0.11 -0.01 -0.01 -0.01 -0.05 -0.01 0.01 -0.05 -0.02 0.01 0.00 -0.00 0.00 -0.02 -0.01 -0.03 0.05 0.03 0.03 0.00 -0.01 -0.00 0.04 0.04 0.03 0.01 0.01 0.01 -0.05 0.06 0.29 -0.08 -0.12 -0.22 -0.02 -0.05 -0.14 0.02 -0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.12 0.32 0.20 -0.00 0.05 0.13 0.18 0.05 -0.04 -0.00 0.00 -0.00 -0.14 -0.08 0.12 0.02 0.04 -0.21 0.00 0.02 -0.01 0.01 -0.04 0.01 -0.01 0.02 0.03 0.01 -0.01 0.01 0.11 -0.13 -0.35 0.24 -0.13 -0.26 0.15 0.02 0.01 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.03 0.06 0.05 -0.03 0.21 0.19 0.22 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.13 -0.12 0.04 -0.05 -0.19 0.13 0.06 -0.00 0.09 -0.01 0.01 0.01 0.02 0.01 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.02 -0.01 -0.02 -0.03 -0.01 0.02 0.01 -0.02 -0.00 -0.02 0.00 -0.03 -0.04 0.07 -0.16 -0.09 0.03 0.07 0.10 -0.00 0.08 0.05 -0.00 -0.01 0.00 0.02 0.01 0.02 -0.01 0.01 -0.01 -0.24 0.57 -0.43 0.00 -0.04 -0.06 -0.08 -0.02 0.02 -0.00 -0.00 0.00 0.09 0.02 -0.07 -0.00 -0.02 0.09 -0.03 0.02 0.03 -0.03 0.06 -0.00 0.04 -0.07 -0.11 -0.00 -0.03 -0.08 -0.04 0.02 0.19 -0.03 -0.19 0.25 -0.06 -0.02 0.00 0.02 -0.01 0.05 -0.00 -0.01 0.00 0.02 -0.00 0.05 -0.02 -0.01 -0.01 -0.14 -0.06 -0.14 0.00 0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 0.07 -0.02 -0.07 0.01 0.00 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.10 0.08 0.05 0.08 -0.15 -0.06 0.01 0.01 -0.00 -0.02 0.13 0.18 0.01 -0.01 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.07 -0.04 -0.12 -0.00 0.00 -0.00 -0.00 0.02 -0.02 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.02 0.14 0.00 -0.08 0.06 0.10 0.19 -0.20 -0.10 0.14 -0.25 -0.03 -0.12 0.30 0.50 -0.02 0.19 0.41 -0.01 0.01 0.01 -0.01 -0.01 0.01 -0.06 -0.00 0.00 -0.08 0.01 -0.19 -0.05 0.01 -0.05 -0.10 0.02 -0.19 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.03 0.01 -0.01 -0.14 0.05 -0.01 -0.09 -0.12 0.07 -0.11 -0.08 -0.09 -0.00 -0.00 0.00 -0.02 -0.02 0.01 0.01 0.01 0.00 0.01 -0.02 0.02 -0.01 -0.03 0.01 0.02 0.02 -0.01 -0.01 0.00 0.00 -0.04 -0.01 0.00 0.00 0.00 -0.01 0.09 0.01 -0.04 0.04 0.02 0.02 -0.08 -0.06 -0.06 0.01 0.00 0.00 0.00 -0.00 0.01 0.01 0.02 -0.01 0.62 0.27 0.04 0.02 0.03 0.05 -0.25 -0.07 0.05 -0.04 0.01 -0.02 -0.04 0.01 0.01 0.01 0.04 -0.08 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.02 0.00 -0.00 0.01 -0.02 -0.02 0.16 0.03 -0.06 0.06 -0.06 -0.17 0.20 0.03 0.01 0.00 0.01 -0.01 0.02 0.01 0.02 -0.00 0.01 -0.01 0.11 0.11 -0.09 0.33 0.21 0.19 -0.04 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.09 -0.05 0.03 0.02 0.02 -0.00 0.03 -0.08 0.07 -0.03 -0.06 0.01 0.06 0.06 0.01 -0.00 -0.01 -0.00 0.02 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.02 0.00 0.01 0.02 -0.00 0.00 0.01 0.04 0.01 0.00 -0.01 -0.00 -0.00 0.04 0.05 -0.04 -0.04 -0.03 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.11 0.04 -0.06 -0.16 -0.01 0.10 0.03 0.09 -0.27 0.01 0.01 -0.01 0.02 -0.07 0.02 -0.03 0.02 0.03 0.02 -0.02 -0.00 -0.02 0.00 0.04 -0.04 -0.00 0.03 0.68 0.12 0.03 0.01 0.01 0.00 0.02 0.01 0.01 -0.01 -0.00 -0.04 0.35 0.35 -0.22 -0.05 -0.03 -0.02 -0.12 0.08 -0.10 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.20 0.39 0.07 -0.00 0.01 -0.02 -0.00 0.03 -0.03 -0.01 0.02 -0.02 -0.02 -0.02 0.02 0.26 -0.24 -0.18 0.02 -0.26 0.07 -0.02 -0.01 -0.00 0.03 0.06 0.05 -0.01 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 0.02 0.04 0.02 -0.02 0.02 -0.06 -0.03 -0.03 -0.02 0.01 -0.01 0.03 0.01 0.01 0.01 -0.01 -0.04 0.05 0.02 0.00 0.02 -0.02 0.02 0.08 -0.22 -0.08 0.21 -0.17 -0.17 0.16 -0.13 -0.04 0.06 -0.29 0.10 -0.12 0.11 0.18 0.08 -0.02 0.23 -0.10 -0.01 0.06 -0.11 0.01 0.11 -0.02 -0.04 0.01 0.05 0.06 -0.02 0.08 0.03 0.04 -0.08 -0.01 -0.22 -0.05 -0.02 0.01 -0.05 -0.05 -0.07 0.03 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.05 0.03 -0.02 -0.00 -0.01 0.00 0.06 -0.07 0.08 0.02 0.04 -0.01 -0.02 -0.04 -0.01 0.01 -0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.01 0.02 -0.01 0.00 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.07 -0.04 0.01 -0.00 0.01 -0.01 0.08 -0.06 0.07 0.00 0.01 0.01 0.01 -0.00 -0.01 0.02 0.01 -0.00 -0.11 0.11 -0.12 0.08 -0.02 -0.05 -0.01 -0.03 0.12 0.01 -0.01 -0.01 -0.00 0.03 -0.01 0.04 -0.02 -0.00 -0.02 0.04 0.03 -0.02 -0.00 -0.01 -0.00 0.00 0.01 -0.42 -0.09 0.00 0.00 -0.01 0.03 -0.02 -0.02 -0.05 0.01 -0.02 0.01 0.15 -0.01 0.04 0.02 0.01 -0.00 -0.07 0.59 -0.56 -0.02 -0.01 -0.00 -0.02 0.00 -0.00 -0.01 -0.02 0.01 -0.02 -0.02 -0.02 0.02 -0.03 -0.01 0.01 -0.01 0.01 0.02 0.01 -0.01 -0.00 -0.01 0.01 0.02 -0.00 0.00 -0.03 0.02 0.01 0.00 0.02 -0.00 -0.02 0.00 0.02 -0.01 -0.00 -0.01 -0.03 -0.01 -0.01 -0.10 -0.05 -0.02 -0.04 0.03 0.10 -0.01 0.02 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.11 0.05 0.03 0.06 -0.03 -0.13 0.23 0.09 0.02 -0.01 -0.00 -0.00 0.02 0.03 -0.02 -0.03 0.03 0.05 -0.02 -0.00 0.01 -0.01 0.03 -0.02 0.00 -0.00 -0.01 -0.01 0.00 -0.02 -0.55 -0.07 0.26 -0.49 0.01 0.42 0.08 0.04 -0.02 -0.01 -0.00 -0.01 -0.01 0.00 0.01 0.01 0.01 0.03 0.00 0.01 -0.01 -0.04 -0.11 -0.20 -0.02 -0.08 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 0.02 0.02 -0.08 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 -0.03 -0.01 -0.01 0.03 0.04 0.01 -0.04 0.14 0.00 -0.00 0.00 -0.06 0.10 -0.14 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.02 0.08 -0.10 0.06 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.04 -0.07 0.06 -0.01 0.01 -0.05 -0.14 -0.18 0.23 -0.00 -0.09 -0.13 -0.31 0.15 0.01 0.07 -0.21 -0.14 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.17 -0.05 0.02 -0.13 0.07 -0.37 0.11 0.19 0.50 -0.06 0.23 0.08 0.02 0.02 -0.01 0.01 0.00 0.00 0.03 0.13 -0.12 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.03 -0.01 0.08 0.04 -0.02 -0.03 -0.01 0.01 0.01 -0.07 0.07 0.09 0.10 -0.06 -0.06 -0.08 0.02 0.07 -0.01 0.03 -0.05 -0.01 -0.01 -0.07 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 0.00 0.02 0.01 0.01 -0.00 0.08 -0.07 0.04 -0.01 -0.01 -0.00 -0.03 0.03 -0.01 0.01 0.03 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.11 0.00 -0.03 0.20 -0.18 -0.06 -0.07 -0.03 0.21 -0.08 -0.15 0.12 0.01 0.07 -0.19 0.03 0.01 -0.01 -0.10 0.09 0.04 0.13 0.02 -0.09 0.09 0.02 -0.04 0.51 0.18 -0.06 -0.09 -0.05 -0.10 -0.07 0.02 0.06 0.02 0.06 0.15 -0.09 -0.13 0.09 -0.04 -0.02 -0.02 -0.16 -0.37 0.30 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 0.02 0.02 0.03 -0.01 0.01 0.00 -0.01 0.01 -0.01 -0.02 -0.02 -0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.02 0.00 -0.02 0.00 0.02 0.00 0.00 0.04 0.04 0.06 -0.02 -0.01 0.00 0.04 0.01 -0.01 -0.06 -0.03 -0.02 -0.02 -0.04 -0.08 0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.03 -0.05 -0.08 0.06 0.03 0.02 -0.03 0.00 0.03 -0.01 -0.00 -0.00 0.02 -0.04 -0.00 0.01 -0.03 0.01 -0.02 -0.04 0.02 0.00 0.02 -0.05 0.02 -0.00 0.00 -0.03 0.03 0.01 -0.48 -0.05 0.27 -0.02 -0.05 -0.09 0.06 0.01 0.00 -0.02 -0.02 -0.01 -0.02 -0.00 -0.00 0.01 0.01 0.04 -0.01 -0.03 0.02 0.65 0.36 0.27 -0.01 -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 -0.06 -0.01 0.01 -0.05 -0.03 0.01 0.01 0.01 -0.01 -0.01 0.03 -0.03 -0.03 -0.03 0.03 0.05 0.02 -0.03 0.16 0.03 -0.01 0.01 -0.00 -0.01 -0.14 -0.06 0.05 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.01 0.00 -0.02 0.02 0.08 0.04 -0.04 0.00 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.04 -0.00 0.01 -0.07 0.02 0.02 0.01 0.10 -0.13 -0.15 -0.27 0.17 0.05 0.15 -0.44 0.21 -0.01 0.04 -0.28 0.28 0.06 0.03 0.00 -0.01 -0.02 0.00 0.02 -0.12 -0.05 0.02 -0.17 -0.15 -0.08 -0.22 -0.03 -0.08 0.11 0.05 0.36 0.07 0.08 -0.05 -0.08 -0.05 -0.03 0.06 0.11 -0.09 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.07 -0.09 -0.10 -0.09 0.06 -0.01 0.03 -0.03 -0.02 0.13 -0.09 -0.02 -0.04 0.03 -0.00 0.00 0.00 0.31 0.09 -0.04 0.00 0.00 -0.00 0.08 0.03 0.00 0.06 0.01 -0.03 -0.11 -0.05 -0.02 0.06 -0.03 0.04 -0.00 -0.00 0.00 0.04 -0.09 0.09 0.03 -0.00 -0.03 -0.08 -0.00 0.06 0.00 0.00 0.00 0.01 -0.01 0.01 0.06 -0.16 0.02 0.01 -0.13 0.07 -0.00 0.01 0.00 -0.00 0.00 0.02 -0.01 -0.01 -0.02 0.01 -0.01 0.00 -0.01 0.00 0.04 -0.48 -0.08 0.22 0.20 -0.00 0.05 0.00 0.01 -0.00 0.01 0.00 0.01 -0.01 0.00 -0.01 0.05 -0.08 0.08 -0.51 -0.24 -0.12 0.03 0.08 -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 -0.02 -0.01 -0.02 0.06 0.04 -0.03 0.00 -0.01 -0.00 0.05 -0.03 0.04 -0.05 -0.01 0.04 0.04 0.00 0.02 0.00 -0.00 -0.00 0.02 0.01 0.01 -0.02 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.02 0.00 -0.01 -0.03 0.02 -0.03 0.01 -0.01 -0.02 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.03 0.00 -0.01 -0.34 0.56 0.06 0.19 -0.44 -0.14 -0.06 0.14 -0.00 0.05 -0.13 -0.01 0.01 0.01 0.01 -0.03 -0.00 -0.07 0.02 -0.01 -0.02 -0.04 -0.01 0.01 0.11 0.02 0.01 -0.03 -0.02 -0.02 -0.04 0.00 0.00 0.02 0.02 0.06 -0.34 -0.27 0.16 -0.05 -0.03 -0.01 -0.03 0.01 -0.01 0.00 0.00 0.00 0.03 -0.02 -0.01 0.01 0.02 -0.03 -0.02 -0.03 -0.05 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 0.02 -0.01 0.00 -0.00 0.02 0.03 -0.01 0.01 -0.01 0.02 -0.00 -0.00 -0.00 0.05 -0.10 -0.25 -0.01 0.00 0.00 0.10 -0.03 -0.14 -0.04 0.06 0.17 -0.00 0.02 0.06 -0.00 0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.10 0.09 0.28 0.06 0.05 0.06 -0.06 -0.07 -0.11 0.00 0.00 -0.00 -0.13 0.24 0.04 0.08 -0.21 -0.03 -0.03 0.10 -0.00 0.03 -0.08 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.03 -0.51 0.04 0.51 0.01 0.03 0.05 -0.05 -0.00 -0.01 -0.01 -0.01 -0.02 -0.01 0.00 0.01 0.00 0.01 0.02 0.07 0.05 -0.02 0.12 0.09 0.10 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 -0.03 -0.02 -0.01 -0.01 0.02 -0.02 0.01 0.01 -0.00 0.04 -0.01 0.02 -0.02 -0.03 0.02 0.01 0.01 -0.00 0.03 0.02 0.01 0.00 -0.01 -0.02 0.05 0.02 -0.02 0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.05 -0.03 0.02 -0.02 0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.01 -0.03 0.00 -0.04 0.11 -0.03 0.10 -0.42 0.04 -0.19 0.53 -0.10 -0.02 -0.08 -0.16 0.07 0.10 0.37 -0.04 0.00 0.04 0.00 0.00 0.00 0.16 0.02 0.02 0.09 0.09 0.02 0.14 0.01 0.05 -0.07 -0.02 -0.19 -0.27 -0.22 0.13 0.00 0.00 0.00 0.02 0.11 -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 -0.01 -0.02 0.04 -0.02 0.03 -0.01 -0.02 0.00 -0.06 0.00 -0.02 0.02 0.05 -0.01 0.01 -0.02 0.02 0.02 0.01 0.00 0.00 0.01 0.02 0.02 0.02 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.02 0.02 -0.01 -0.03 -0.03 0.02 0.02 -0.03 0.03 0.01 -0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 0.02 -0.02 -0.19 0.33 0.04 0.13 -0.33 -0.03 0.02 -0.15 0.02 -0.08 0.25 -0.06 -0.02 -0.08 -0.16 0.02 0.08 0.23 0.04 -0.00 -0.04 -0.02 -0.00 0.00 -0.28 -0.04 -0.02 0.04 0.06 -0.01 0.08 0.01 0.06 -0.05 0.01 -0.11 0.40 0.33 -0.20 -0.01 -0.01 -0.01 -0.04 -0.23 0.20 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.04 -0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.03 -0.01 0.04 0.00 0.01 0.02 0.03 -0.03 -0.02 0.06 0.02 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.06 -0.02 -0.01 0.01 -0.01 -0.02 0.00 0.02 -0.00 -0.00 0.00 -0.01 -0.02 -0.03 -0.01 0.01 -0.01 -0.01 -0.04 0.01 0.02 -0.06 -0.02 0.10 -0.37 0.04 -0.13 0.25 0.05 0.02 0.27 0.51 0.07 -0.20 -0.30 0.17 0.01 -0.12 -0.31 -0.02 0.20 -0.09 -0.01 -0.01 -0.01 -0.05 0.10 -0.06 -0.05 -0.17 0.08 -0.08 0.08 -0.00 0.02 -0.02 0.10 0.05 0.04 -0.02 -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 0.01 -0.01 0.00 -0.02 -0.02 0.03 -0.03 0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.00 0.02 0.02 -0.02 -0.05 0.02 -0.02 -0.01 -0.10 -0.03 0.01 0.02 0.00 -0.01 0.01 0.00 0.00 0.02 -0.01 0.01 0.00 0.04 -0.01 0.00 -0.03 0.02 0.04 0.00 -0.03 0.01 0.01 0.01 0.02 0.03 0.06 -0.01 -0.00 -0.00 -0.03 0.05 0.01 0.02 -0.07 -0.00 0.06 -0.22 0.02 -0.09 0.16 0.03 0.01 0.17 0.31 0.05 -0.13 -0.19 -0.34 -0.02 0.24 0.54 0.04 -0.36 0.01 -0.01 0.01 -0.00 -0.03 0.06 -0.03 -0.03 -0.10 0.05 -0.05 0.05 0.06 0.02 -0.01 -0.21 -0.12 -0.08 -0.01 -0.03 0.03 -0.00 -0.00 -0.00 -0.02 0.02 0.02 -0.01 -0.01 0.03 0.02 0.02 0.03 -0.00 0.01 0.01 0.10 -0.12 0.12 -0.08 -0.01 0.01 0.01 -0.03 0.03 -0.02 0.02 -0.03 0.01 0.02 0.00 0.00 0.00 -0.00 0.06 -0.09 -0.25 -0.00 0.00 0.01 0.10 0.17 0.31 -0.16 -0.03 0.08 -0.23 -0.01 0.16 -0.07 0.03 -0.04 -0.00 -0.00 0.00 -0.01 0.10 -0.09 0.08 -0.09 -0.27 0.17 0.11 0.11 0.07 -0.08 -0.24 0.01 0.02 -0.01 0.09 -0.24 0.02 -0.00 0.04 -0.02 0.00 0.00 -0.00 0.02 -0.05 -0.00 0.00 -0.03 -0.05 -0.01 0.02 0.03 0.02 -0.01 -0.05 0.34 0.02 -0.23 -0.16 0.02 -0.06 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 -0.01 -0.15 -0.02 -0.01 -0.26 -0.13 -0.07 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 0.00 0.00 0.02 -0.01 -0.01 -0.11 0.25 -0.24 0.13 0.04 -0.02 0.02 0.03 -0.02 -0.04 -0.11 0.09 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.12 -0.07 -0.05 -0.00 0.00 -0.00 0.04 0.05 0.09 -0.10 -0.01 0.06 -0.05 0.02 0.08 0.20 -0.07 0.10 0.00 -0.00 -0.00 -0.05 -0.18 0.15 0.00 -0.02 -0.05 0.07 0.03 0.01 0.02 -0.05 -0.14 -0.08 0.02 -0.04 -0.05 0.19 -0.03 -0.12 0.28 0.01 -0.02 0.08 -0.01 -0.00 0.02 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.28 0.02 -0.21 -0.07 0.02 0.10 -0.03 -0.11 0.11 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.28 0.10 -0.04 0.23 0.11 0.07 -0.11 -0.30 0.24 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.09 -0.01 -0.01 0.05 -0.01 0.00 -0.07 0.04 -0.05 0.12 0.08 -0.02 -0.02 -0.04 0.03 -0.01 -0.01 0.01 -0.08 -0.01 0.01 0.01 0.00 -0.01 -0.01 0.01 0.03 -0.05 -0.01 0.02 0.00 0.01 0.03 -0.09 0.01 -0.03 0.00 0.01 -0.00 0.09 -0.02 0.04 0.01 -0.01 -0.03 0.03 0.00 -0.01 0.01 -0.01 -0.04 0.06 -0.09 0.10 -0.09 0.33 -0.01 0.07 -0.27 0.02 0.00 -0.04 0.01 -0.05 0.09 0.02 -0.00 0.06 0.10 0.02 -0.06 -0.07 0.19 0.01 -0.15 0.03 0.02 0.02 0.47 0.12 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.02 0.01 -0.01 0.01 0.09 -0.03 0.05 0.16 0.07 0.04 0.11 0.43 -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 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.03 0.02 -0.02 -0.00 -0.00 -0.00 -0.01 0.07 0.14 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 -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 0.04 -0.05 -0.01 0.04 -0.11 -0.03 0.23 -0.41 -0.08 -0.00 -0.02 -0.00 0.09 -0.25 -0.42 0.07 -0.28 -0.47 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.16 -0.01 -0.23 -0.18 -0.10 -0.10 -0.04 0.10 -0.18 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.04 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.01 0.01 0.02 -0.09 0.02 0.03 -0.08 -0.03 0.02 0.00 0.00 -0.01 0.05 0.04 0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.02 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.17 0.35 0.02 -0.22 0.55 0.04 -0.11 0.31 -0.03 -0.17 0.45 0.04 -0.01 -0.00 -0.05 0.05 -0.18 -0.26 -0.02 -0.00 0.01 -0.02 -0.01 0.00 -0.01 0.00 -0.01 0.04 -0.01 0.01 -0.05 0.04 0.06 -0.02 0.08 0.09 -0.00 0.00 -0.00 -0.03 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.03 -0.01 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.03 0.05 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.05 -0.03 -0.13 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.05 -0.11 -0.00 0.07 -0.17 -0.01 0.03 -0.12 -0.01 -0.01 0.03 0.05 0.04 -0.07 -0.12 0.04 -0.09 -0.13 0.01 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.01 0.00 0.37 -0.05 0.37 0.16 0.32 0.41 -0.00 0.06 0.53 -0.01 -0.00 0.00 0.02 0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.27 0.13 -0.06 -0.03 0.02 -0.02 -0.20 -0.00 -0.04 -0.17 -0.15 0.07 0.02 0.03 -0.02 -0.02 0.04 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.12 0.04 -0.00 0.01 -0.01 -0.04 -0.04 -0.04 -0.05 -0.06 0.07 -0.07 -0.01 -0.00 -0.02 0.15 -0.02 0.06 -0.03 -0.00 0.02 0.06 0.03 0.02 -0.04 0.02 0.07 -0.06 -0.15 0.12 0.01 -0.09 0.00 -0.07 0.25 -0.08 0.10 -0.14 -0.02 0.06 -0.16 -0.05 0.02 -0.04 -0.05 -0.01 0.03 0.02 -0.17 -0.03 0.08 -0.07 -0.04 -0.04 0.29 0.15 -0.08 0.05 -0.01 0.06 0.05 0.05 0.06 0.01 -0.01 0.08 0.31 0.09 -0.02 -0.31 -0.18 -0.14 -0.05 0.24 -0.23 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.09 -0.03 0.01 0.04 -0.00 -0.02 0.06 0.01 0.01 0.07 0.03 -0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.10 0.01 0.09 -0.00 0.00 -0.00 0.24 0.05 -0.09 -0.14 -0.06 -0.02 -0.12 -0.07 -0.06 0.01 -0.02 0.02 0.00 0.00 0.00 -0.05 -0.00 -0.01 -0.08 -0.00 0.06 0.22 0.06 -0.04 -0.07 0.06 0.19 0.02 0.04 -0.03 0.03 0.06 -0.02 0.03 -0.11 0.00 -0.02 0.01 0.01 -0.01 0.02 0.01 0.00 0.01 0.01 0.00 -0.01 -0.00 0.06 -0.05 -0.19 0.19 -0.06 -0.30 -0.04 -0.04 0.03 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.06 -0.01 -0.01 -0.52 -0.35 -0.36 0.02 -0.05 0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.02 0.04 0.02 0.02 -0.01 0.03 -0.00 0.01 -0.01 0.00 -0.00 -0.03 -0.02 0.00 -0.02 0.11 -0.04 0.06 -0.10 -0.05 -0.01 -0.00 -0.00 -0.01 0.03 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.00 0.02 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.05 -0.39 0.04 0.19 -0.43 0.09 -0.29 0.38 0.05 -0.15 0.47 0.16 -0.03 0.04 0.02 0.02 -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 -0.00 0.04 0.01 -0.00 -0.03 0.02 -0.07 -0.13 -0.07 -0.06 -0.04 0.10 -0.09 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.06 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 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.02 0.04 -0.02 0.02 -0.06 -0.03 0.65 0.14 0.02 0.23 -0.50 0.37 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.10 0.03 0.08 -0.19 -0.03 0.00 -0.09 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 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.04 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.03 -0.01 -0.01 0.02 -0.04 -0.07 -0.07 0.04 0.03 -0.05 0.09 -0.07 -0.01 0.06 -0.06 0.09 -0.06 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.41 0.50 -0.18 0.01 -0.25 -0.34 -0.19 0.45 0.28 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -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 -0.04 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 -0.03 -0.03 0.01 0.01 -0.02 0.04 -0.02 0.05 -0.01 -0.00 0.02 0.00 0.20 0.02 -0.05 0.06 -0.19 0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.14 0.19 -0.35 0.64 -0.04 -0.19 0.19 -0.39 0.30 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.03 -0.01 0.00 -0.00 0.00 -0.00 -0.03 -0.02 0.01 0.00 -0.01 -0.00 0.03 0.02 -0.05 -0.02 0.00 0.04 0.03 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.03 -0.03 -0.00 0.02 -0.02 -0.00 0.02 0.06 0.03 -0.01 -0.00 -0.01 -0.00 0.07 0.03 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.02 0.02 0.01 0.01 -0.03 -0.02 0.01 -0.50 -0.18 0.20 0.06 0.02 0.56 0.30 0.11 -0.14 -0.05 -0.02 -0.35 -0.03 -0.01 0.02 -0.01 0.02 -0.03 0.11 0.00 -0.07 0.10 0.01 -0.07 -0.12 -0.00 -0.03 0.06 0.05 0.00 -0.02 -0.02 -0.03 -0.03 0.06 0.04 -0.07 -0.11 0.08 0.06 0.03 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 0.00 -0.00 0.01 0.00 -0.05 -0.01 0.00 -0.02 0.00 -0.01 -0.08 -0.04 0.01 -0.01 -0.02 0.01 -0.01 -0.01 0.03 0.02 0.00 -0.03 0.08 0.03 0.02 -0.00 0.01 -0.00 -0.01 -0.03 -0.07 -0.08 -0.00 0.06 -0.05 -0.00 0.04 0.12 0.06 -0.02 0.00 0.00 0.00 0.15 0.06 -0.02 0.00 0.01 0.02 -0.01 -0.02 -0.05 0.05 0.02 0.01 -0.07 -0.03 0.01 0.32 0.12 -0.13 -0.04 0.01 -0.37 -0.26 -0.11 0.12 0.05 0.01 0.30 0.03 0.00 -0.02 0.01 -0.02 0.02 0.27 0.02 -0.17 0.24 0.02 -0.16 -0.32 -0.01 -0.05 -0.05 -0.04 -0.01 0.02 0.02 0.02 0.02 -0.05 -0.02 -0.15 -0.23 0.17 0.16 0.07 0.02 -0.09 -0.05 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.10 0.03 -0.00 -0.01 -0.02 0.00 0.05 0.03 -0.01 -0.07 0.00 -0.01 -0.00 0.00 0.02 -0.01 -0.01 0.03 0.12 0.05 0.02 0.00 -0.00 0.00 -0.01 -0.05 -0.10 -0.10 0.00 0.08 -0.09 -0.00 0.07 -0.12 -0.05 0.02 -0.00 -0.00 -0.00 -0.12 -0.05 0.02 0.00 0.01 0.03 -0.03 -0.04 -0.07 0.08 0.03 0.01 0.06 0.02 -0.00 0.14 -0.02 -0.04 -0.02 0.01 -0.16 0.21 0.15 -0.11 -0.06 0.04 -0.28 -0.01 0.00 0.01 -0.00 -0.00 -0.02 0.38 0.03 -0.24 0.36 0.03 -0.24 0.28 0.02 0.04 0.02 0.03 -0.01 0.01 -0.01 -0.02 -0.01 0.02 0.03 0.15 0.21 -0.16 0.26 0.11 0.04 0.08 0.04 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.02 0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.03 -0.01 -0.03 0.02 0.03 -0.05 0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.02 0.00 0.01 -0.02 -0.00 0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 -0.03 -0.01 0.01 0.00 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.02 0.01 -0.00 -0.37 -0.06 0.14 0.00 0.12 0.38 -0.41 -0.32 0.21 0.14 -0.11 0.53 0.03 -0.01 -0.03 0.01 0.00 0.04 0.07 0.00 -0.04 0.06 0.00 -0.04 0.09 0.01 0.01 -0.04 -0.05 0.02 -0.02 0.02 0.04 0.01 -0.03 -0.05 0.04 0.06 -0.04 0.05 0.02 0.01 0.02 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.05 -0.05 0.04 -0.01 0.01 -0.21 -0.08 0.03 -0.04 -0.01 0.01 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.19 -0.19 0.12 0.00 -0.00 0.00 0.23 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.19 0.23 -0.16 -0.01 -0.03 0.00 0.00 0.01 0.01 0.01 0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.34 -0.13 0.19 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.09 -0.26 0.21 -0.00 -0.00 -0.00 0.18 -0.42 0.42 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.01 0.01 0.03 -0.00 -0.00 0.00 0.02 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.08 -0.16 -0.32 0.00 0.00 -0.00 0.19 0.17 0.22 0.05 0.09 0.16 -0.02 -0.08 -0.16 0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.03 -0.02 -0.03 -0.26 -0.19 -0.22 0.08 0.17 0.33 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.20 0.11 0.09 -0.15 -0.10 -0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.48 0.21 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 0.01 -0.00 -0.00 0.00 0.02 0.01 -0.01 -0.02 0.00 0.01 0.00 0.00 -0.00 -0.02 -0.01 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.18 -0.00 -0.14 -0.00 -0.00 0.00 -0.25 -0.05 0.10 -0.30 -0.03 0.17 0.30 0.02 -0.20 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.04 0.00 -0.03 0.22 0.07 -0.03 -0.14 0.01 0.14 0.00 0.00 -0.00 -0.00 -0.03 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 0.32 -0.00 -0.26 -0.43 -0.02 0.30 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.14 -0.14 -0.20 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.06 0.05 0.51 -0.20 0.16 -0.02 -0.01 0.00 -0.54 0.37 -0.27 0.04 -0.07 0.04 -0.00 0.00 0.00 -0.10 -0.03 0.01 0.00 0.00 -0.00 -0.02 -0.01 0.00 -0.02 -0.01 0.01 0.02 0.00 -0.01 0.06 0.04 -0.02 -0.00 0.00 -0.00 0.01 0.05 -0.04 -0.00 0.01 0.01 0.02 0.01 0.00 -0.01 -0.00 -0.00 -0.03 -0.03 0.03 -0.04 -0.06 0.06 -0.12 0.29 -0.06 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.02 0.00 0.03 -0.11 0.01 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.07 -0.02 -0.01 -0.01 -0.01 -0.02 -0.03 0.02 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.05 -0.03 -0.01 0.04 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.11 0.63 -0.16 -0.06 -0.00 -0.19 -0.07 -0.39 0.51 0.20 -0.05 0.01 -0.05 0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -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 -0.00 -0.05 0.02 0.01 -0.04 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.12 0.63 -0.15 -0.05 -0.00 0.22 0.07 0.44 -0.47 -0.19 0.05 -0.01 0.06 -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 -0.01 0.00 0.00 0.00 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.03 -0.04 -0.00 0.00 -0.00 0.03 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.04 0.06 0.02 -0.00 0.26 0.09 0.59 0.55 0.21 -0.08 -0.02 0.20 -0.12 -0.35 -0.16 0.05 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.03 -0.02 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 0.01 -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 -0.02 -0.04 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 0.04 0.05 0.02 -0.01 0.01 -0.10 0.06 0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.31 0.34 0.27 0.04 -0.38 0.23 0.64 0.29 -0.08 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.01 -0.02 0.00 0.00 -0.00 -0.05 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 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.05 0.02 -0.00 0.14 0.05 0.32 0.21 0.08 -0.03 0.07 -0.54 0.32 0.56 0.26 -0.08 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 0.01 -0.00 0.07 -0.04 -0.12 -0.06 0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -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 0.02 0.02 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.07 0.03 -0.01 0.01 0.00 0.02 0.11 0.04 -0.01 -0.09 0.58 -0.35 0.56 0.24 -0.07 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.08 0.10 0.07 0.03 -0.23 0.14 -0.16 -0.07 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -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 0.20 0.90 0.34 -0.07 -0.02 -0.01 -0.05 -0.04 -0.01 0.00 0.00 -0.03 0.02 -0.05 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.08 0.01 0.04 -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 -0.00 0.00 0.01 0.00 0.02 0.03 0.01 -0.01 -0.02 0.10 -0.06 0.24 0.10 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.40 -0.46 -0.37 -0.03 0.11 -0.06 0.55 0.26 -0.06 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -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 0.01 -0.09 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 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 0.17 -0.10 0.11 0.05 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.25 0.26 0.22 -0.08 0.71 -0.45 0.21 0.08 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.37 0.40 0.58 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 0.28 -0.12 -0.52 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 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 -0.04 -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 0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.29 0.30 0.43 0.01 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.38 0.16 0.68 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.04 -0.06 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.47 0.49 0.73 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -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 -0.09 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.13 -0.12 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.02 0.03 0.00 0.00 0.00 0.96 0.06 0.17 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.05 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.06 0.06 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.72 -0.41 0.54 -0.00 0.00 0.00 -0.03 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.07 0.06 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -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 -0.10 0.72 -0.65 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 -0.03 0.04 0.00 -0.00 -0.00 -0.17 -0.01 -0.03 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 0.99964 -0.0267 0.00318 0.0267 0.99964 0.00158 -0.00322 -0.00149 0.99999 asymmetric 1 0.01534 0.00688 0.00629 0.31965 0.14342 0.13103 747471.2 34.86 36.42 46.51 58.11 67.60 72.31 76.00 111.93 165.08 175.22 196.53 209.11 241.29 254.37 274.12 350.22 384.27 403.38 419.37 446.05 485.78 500.39 517.33 530.38 631.92 680.30 698.22 714.67 735.99 794.68 851.57 880.96 886.31 939.85 948.20 959.70 992.20 1026.71 1065.67 1098.85 1123.63 1137.74 1215.25 1227.83 1238.77 1271.00 1284.19 1308.19 1315.59 1346.72 1389.01 1413.11 1432.22 1473.18 1518.31 1522.15 1535.71 1559.23 1561.25 1609.81 1615.11 1616.71 1621.64 1656.73 1679.77 1687.89 1777.14 1803.09 1819.08 1838.18 1844.91 1878.92 1881.37 1899.38 1904.93 1919.26 1979.33 2007.15 2029.96 2047.27 2070.40 2082.61 2108.44 2135.53 2150.14 2159.04 2162.67 2173.33 2179.15 2247.26 2298.82 2352.70 2493.68 4280.66 4286.47 4328.62 4343.57 4354.15 4395.03 4401.62 4431.02 4453.57 4591.96 4611.17 4634.07 4669.08 4707.60 4744.81 0.284697 0.306421 0.307365 0.230174 -1579.929377 -1579.907653 -1579.906708 -1579.983900 192.282 79.601 162.462 0.000 0.000 0.000 0.889 2.981 43.410 0.889 2.981 35.236 190.504 73.640 83.817 1 0.593 1.985 6.253 2 0.593 1.985 6.167 3 0.594 1.983 5.681 4 0.594 1.981 5.240 5 0.595 1.979 4.941 6 0.595 1.977 4.807 7 0.596 1.976 4.709 8 0.599 1.964 3.946 9 0.608 1.937 3.187 10 0.609 1.931 3.072 11 0.614 1.917 2.851 12 0.617 1.908 2.732 13 0.624 1.882 2.461 14 0.628 1.871 2.362 15 0.634 1.853 2.223 16 0.659 1.774 1.778 17 0.672 1.734 1.615 18 0.680 1.710 1.531 19 0.687 1.690 1.465 20 0.699 1.655 1.362 21 0.718 1.600 1.223 22 0.725 1.580 1.176 23 0.734 1.556 1.124 24 0.741 1.537 1.085 25 0.799 1.385 0.829 26 0.830 1.310 0.730 27 0.841 1.283 0.696 28 0.852 1.257 0.666 29 0.867 1.224 0.630 30 0.908 1.135 0.539 31 0.949 1.049 0.464 32 0.972 1.006 0.429 33 0.976 0.998 0.423 0.119889e+26 25.078779 57.746023 0.424914e+10 9.628302 22.169984 0.100000e+01 0.000000 0.000000 0.251967e+09 8.401344 19.344810 0.111978e+08 7.049133 16.231229 octanol ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1580.2140734 3.073E-9 3.812E-6 0.2846968 0.3064208 -1579.9076527 -1579.9067085 -1579.9838996 -4.995797,-2.5351304,7.5309275,16.3930602,0.2885217,3.0149957 C01 [X(C15H15Cl1F3N3O1)] -0.3237362 2.8969374 1.7155387 -1.0376841 0.3231728 -0.0159792 0.3654739 -0.2112916 0.0024087 -0.0252254 0.0046551 -0.1311269 -0.9804495 -0.3031809 0.3036241 -0.306391 -0.5723162 0.0350319 0.2354652 0.0376722 -0.6295527 -0.506812 0.2699081 0.1441692 0.2550454 -1.1288358 -0.1817431 0.0619675 -0.1552653 -0.5573612 -0.6412583 0.0477292 -0.2927551 0.055509 -0.3711227 0.0087328 -0.3886985 0.0018983 -1.1150945 -0.7854717 -0.2114358 0.2264997 -0.3998755 -1.3951998 0.328511 0.2870973 0.3359064 -0.8538324 -2.0082267 0.805456 -0.0794714 1.2816638 -0.9060707 0.0772288 -0.0855099 0.0209862 -0.1043813 -2.656411 0.5480499 -0.1383994 0.1385966 -0.7835267 0.060361 -0.129615 0.0474783 -0.351598 -1.1283197 0.3699726 -0.0411764 0.1770813 -0.5787606 0.0121811 -0.1255657 0.0336241 -0.4095703 3.0896208 -0.6129388 0.1625293 -0.5216017 1.1479826 -0.0675944 0.1526941 -0.0466396 0.2403439 0.4700592 0.1755184 -0.2150321 0.1996855 0.2559252 -0.1487495 -0.2970518 -0.3393196 0.7948716 0.485008 0.0903922 0.0337145 0.2423476 1.1989785 -0.2082011 0.0610215 -0.0710139 0.4265704 1.7822576 -0.4262465 0.155087 -0.6663865 0.3261726 -0.0499781 -0.051331 0.0414879 0.1586726 0.1192555 -0.0690007 0.0655645 -0.0567072 0.1064813 0.0302116 0.0518637 0.0551422 0.1051243 -0.3898624 0.066188 0.2172106 0.0865691 -0.2242668 -0.1239042 -0.0184529 -0.0084969 -0.3717395 -0.5686552 0.0466289 -0.04723 0.0963101 -0.178551 0.0349911 0.2621431 -0.0951664 0.0349599 -0.2446274 0.0185 -0.2008812 0.0358123 -0.0731131 0.0816688 0.0539263 -0.0148501 0.0379044 0.8630638 -0.4027681 0.0891464 0.0555107 -0.1288247 -0.0293232 0.1308679 -0.1011858 -0.1284979 0.0938712 -0.0402525 -0.0157701 -0.026889 0.0962295 -0.029014 -0.0116164 -0.0285528 0.002894 0.6287285 -0.5365237 -0.0107143 -0.9908494 0.7368185 -0.0229974 -0.0193097 0.0275358 0.0605627 2.1265272 -0.0164705 -0.2382024 0.0111655 2.0882189 0.1929292 0.0207948 0.1646761 2.4954892 -0.023426 -0.0029922 0.0559155 -0.032496 -0.0939868 0.0030678 0.1009671 0.01941 0.1070537 1.3202404 -0.4959338 0.0541142 -0.5333078 0.1429065 -0.0336995 -0.1244173 0.0055616 -0.1656989 0.050913 0.1831518 0.0790033 0.3742285 0.0341603 0.0989863 0.1171453 0.0708852 -0.1469863 0.0054084 -0.075229 -0.0883736 -0.0961348 0.0266453 -0.0485553 -0.0007553 0.0637887 -0.1253824 -0.1013095 0.0184798 0.0353031 0.1245429 0.0180251 0.0142705 -0.0380428 0.0854446 0.0260131 0.0015335 -0.0641297 -0.0905884 -0.0535897 -0.0500694 0.0290401 -0.1071257 -0.1134868 -0.2186708 -0.2035805 0.1430221 0.006452 0.017638 -0.0778407 0.0439636 -0.017259 0.012206 0.0462963 0.0689156 -0.0469164 -0.0026545 -0.0795703 -0.1991681 -0.0245563 0.0089627 -0.0055451 0.0144866 -0.163232 0.087204 -0.0347169 0.1342247 0.0438964 -0.00173 -0.0380489 0.0167255 -0.0036384 0.0706034 0.0383886 -0.0749665 0.0547103 0.1625015 0.0082839 -0.0646875 0.0029738 0.0209094 0.0869369 0.0184425 -0.0509643 0.0234717 0.172661 0.0099194 -0.0420704 0.0087338 0.1006252 0.1405192 0.0149602 -0.0031434 -0.0202134 0.0764063 -0.0484677 -0.0073044 -0.0276024 0.2377495 -0.0147429 -0.0539804 0.1305651 -0.0525739 0.0749539 0.0591149 0.1075507 0.0531035 -0.1462085 0.0749159 -0.0272217 -0.0362903 -0.0509407 -0.1698064 -0.0478702 -0.0309247 -0.0080144 0.0652268 -0.1547166 0.1073885 -0.0723 0.1236316 0.029519 0.0037181 -0.0202481 -0.0165313 0.0446036 0.0883912 0.0006753 -0.0227747 -0.019453 0.1304172 -0.0132832 -0.0307096 -0.0171771 0.182063 0.0729309 0.0362819 0.061123 0.0521605 0.1565294 -0.0358383 0.0480051 -0.0339632 0.056154 -0.0309149 -0.02429 -0.0476373 0.0016011 0.1173222 -0.0191153 -0.0265022 -0.0270844 0.2007657 381.0283297|-39.2087377|246.8887997|7.3845149|7.0252903|248.9142838 -0.000002338 -0.000004784 -0.000002111 -0.000001641 -0.000003495 -0.000000194 0.000001413 0.000003077 0.000002164 0.000005234 -0.000002067 0.000004859 0.000001055 -0.000007187 0.000001326 -0.000005294 0.000006160 0.000001051 0.000002606 -0.000003034 -0.000005210 0.000004447 -0.000001973 -0.000003428 0.000005073 0.000000870 -0.000000057 -0.000002911 0.000002202 0.000001606 0.000000995 0.000011526 -0.000002546 -0.000003364 0.000000775 0.000000574 -0.000009986 -0.000002146 -0.000002056 -0.000002847 0.000000873 0.000005714 0.000001921 -0.000002051 0.000000523 0.000005139 -0.000007414 0.000000785 0.000001795 0.000008849 0.000001701 0.000000588 0.000003778 0.000005478 -0.000000721 -0.000005580 0.000003520 0.000006286 -0.000006222 -0.000018027 0.000001240 -0.000003969 0.000001699 -0.000005165 -0.000002706 -0.000005401 0.000004824 0.000002788 0.000005911 -0.000000061 0.000003377 0.000001589 -0.000002624 -0.000000337 0.000000739 -0.000002537 0.000001733 0.000000947 -0.000003999 -0.000001010 0.000000673 -0.000000815 0.000003065 0.000000790 0.000000964 0.000002291 0.000001591 -0.000000015 -0.000001210 -0.000000727 -0.000000027 -0.000003411 -0.000002875 0.000000109 0.000003021 -0.000001084 0.000000057 0.000001128 -0.000001504 -0.000000358 -0.000000577 0.000000132 -0.000002543 0.000000542 -0.000001418 0.000003268 0.000000725 0.000001465 -0.000000857 -0.000002891 -0.000001248 0.000001086 0.000005283 0.000003050 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 22-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=n-Octanol) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 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/octanol/CONF35 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction triflumizole_E CONF359 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 2140.1057247049 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 -0.0396506615 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 6.082639 0.000000 6.113256 2.173281 0.000000 5.184909 2.171550 2.169790 0.000000 7.572863 3.252948 4.911596 5.337311 0.000000 8.128132 3.945736 4.290882 5.786656 2.847806 0.000000 5.953764 2.984185 2.903280 4.224213 3.426623 2.291927 0.000000 10.036188 5.515155 5.337507 7.191187 4.755435 2.223040 4.086574 0.000000 6.767922 3.139661 3.704640 4.875949 2.374796 1.408847 1.269853 3.573723 0.000000 6.689844 3.397107 4.654031 5.249580 1.414819 2.477818 2.486895 4.670916 1.512762 0.000000 7.940084 4.201764 6.102661 6.137598 1.434692 4.202899 4.689810 6.047047 3.687606 2.373332 0.000000 4.554506 2.987993 2.989328 3.676504 3.956450 3.615804 1.401316 5.487064 2.345517 2.927344 4.965531 0.000000 9.037421 4.653332 6.667309 6.577518 2.397814 5.026018 5.761524 6.532885 4.763561 3.688317 1.518566 6.122040 0.000000 4.022344 2.378002 2.380858 2.377630 4.414584 4.532459 2.446876 6.300070 3.318272 3.732818 5.314599 1.407581 6.261339 0.000000 4.022914 4.295481 4.299790 4.790073 4.739669 4.441838 2.426903 6.336948 3.182620 3.478596 5.543064 1.399784 6.873976 2.413271 0.000000 2.724813 3.440816 3.461470 2.710242 5.461314 5.861564 3.719615 7.675303 4.575922 4.752856 6.128548 2.434834 7.091663 1.394424 2.788185 0.000000 9.252863 4.950348 5.579577 6.954475 2.969082 1.394272 3.609009 2.259871 2.516438 2.949186 4.069063 4.848184 4.737414 5.777277 5.537856 7.069365 0.000000 8.752181 3.962058 6.045004 5.667092 2.957447 5.424806 5.837329 6.862411 5.068704 4.242090 2.546165 6.081975 1.530149 5.887669 7.023701 6.659809 5.431620 0.000000 8.746820 4.436580 4.173717 6.028431 4.082377 1.381388 2.812969 1.306707 2.483929 3.791961 5.475472 4.207836 6.133503 5.013030 5.117305 6.382248 2.223516 6.348611 0.000000 5.223516 1.359784 1.357329 1.352322 4.329337 4.480247 2.884991 5.973500 3.555017 4.088220 5.317273 2.519552 5.937147 1.503782 3.794684 2.504044 5.694675 5.279752 4.767383 0.000000 2.732354 4.965958 4.981360 4.968468 5.726676 5.787903 3.703083 7.701249 4.475228 4.553774 6.327943 2.428217 7.639114 2.789700 1.389296 2.420340 6.871044 7.685045 6.460405 4.293432 0.000000 1.763198 4.606943 4.629975 4.097880 6.026126 6.374633 4.190747 8.274204 5.028757 5.083741 6.580496 2.791317 7.726145 2.400624 2.398650 1.387676 7.527431 7.509479 6.986986 3.776527 1.390885 0.000000 10.316529 5.776737 6.081117 7.694186 4.196710 2.194461 4.448075 1.389484 3.571350 4.262268 5.300884 5.801025 5.755031 6.692658 6.548233 8.041290 1.360554 6.347378 2.151840 6.456878 7.917126 8.563983 0.000000 7.202943 4.495749 5.635771 6.306842 2.084613 2.794592 3.148845 4.859922 2.142173 1.100742 2.656663 3.616103 4.060871 4.615558 3.820673 5.545996 2.900225 4.923666 4.151834 5.127531 4.900761 5.653254 4.241345 0.000000 5.697582 3.239288 4.570113 4.791466 2.077621 3.387669 2.626022 5.606460 2.137469 1.094245 2.655258 2.493738 4.024044 3.138920 2.889743 3.932520 4.024398 4.397779 4.599452 3.751001 3.735699 4.171547 5.315689 1.773267 0.000000 8.444669 5.146045 6.911256 7.091386 2.075210 4.412268 5.117803 6.195842 4.020916 2.646549 1.098946 5.457031 2.169911 6.017399 5.833173 6.817769 4.026511 3.498777 5.745518 6.184350 6.654850 7.096121 5.272387 2.453388 3.044930 0.000000 7.134720 4.107033 6.077967 5.786951 2.075904 4.809725 4.786411 6.815458 3.997356 2.602652 1.099542 4.742547 2.166662 4.942207 5.203556 5.539368 4.907405 2.785484 6.085510 5.097333 5.775086 5.918200 6.188862 2.972742 2.405956 1.779430 0.000000 9.519366 5.595054 7.664878 7.407491 3.328758 6.007814 6.698065 7.528449 5.698846 4.482495 2.122282 6.954961 1.095753 7.082335 7.583435 7.787273 5.630237 2.166895 7.163348 6.846556 8.247066 8.330683 6.660152 4.701376 4.705658 2.436035 2.497664 0.000000 9.846079 5.084604 6.932586 7.129605 2.630501 4.802863 5.957563 6.005190 4.855468 3.972323 2.138874 6.545318 1.095731 6.802790 7.349727 7.771726 4.269638 2.168334 5.815260 6.393708 8.254981 8.433659 5.120897 4.241686 4.556443 2.489518 3.061264 1.759637 0.000000 4.879122 5.020252 5.016348 5.760119 4.880320 4.267833 2.640790 6.083192 3.179819 3.497840 5.684123 2.144895 7.093027 3.393296 1.083358 3.871515 5.228974 7.449707 4.967662 4.661544 2.146860 3.383154 6.210590 3.540601 3.131297 5.782131 5.470277 7.781469 7.467917 0.000000 2.861742 3.671265 3.698013 2.344922 6.072319 6.651559 4.595671 8.391447 5.415975 5.553933 6.662585 3.414793 7.460305 2.152518 3.869369 1.081193 7.853405 6.827345 7.113358 2.705834 3.399259 2.148295 8.794036 6.419481 4.733386 7.449111 6.021340 8.126102 8.189495 4.952705 0.000000 9.300403 5.221913 6.184453 7.301025 2.594039 2.171282 4.072995 3.316071 2.843169 2.696412 3.389172 5.129881 4.114461 6.060464 5.689607 7.261509 1.075073 5.061808 3.250791 6.079970 6.951216 7.635392 2.226416 2.398705 3.777173 3.137090 4.288168 4.885917 3.655882 5.353247 8.051564 0.000000 9.718971 4.801744 6.811624 6.386199 3.946891 6.262966 6.823135 7.477643 6.046053 5.283892 3.492180 7.116227 2.176023 6.859398 8.098214 7.617357 6.161338 1.093937 7.088745 6.121153 8.752306 8.522183 6.941655 5.926912 5.487704 4.326676 3.784314 2.504599 2.515193 8.529391 7.699808 5.801548 0.000000 8.471065 3.123214 5.099151 4.923862 2.673421 4.731518 5.127084 6.068023 4.443695 3.916916 2.829220 5.479902 2.178545 5.252756 6.565765 6.159318 4.899405 1.092899 5.511959 4.474551 7.313562 7.121871 5.724637 4.744603 4.154732 3.843690 3.157740 3.081195 2.525321 7.023560 6.334890 4.737386 1.768009 0.000000 8.066524 3.887852 6.047631 5.305881 3.351791 5.943632 5.957657 7.576836 5.340068 4.418343 2.804047 5.945532 2.177208 5.592333 6.806566 6.159021 6.117239 1.095448 6.914404 5.087466 7.282910 6.977869 7.133564 5.145149 4.298355 3.798367 2.594731 2.528612 3.082349 7.337067 6.233804 5.735148 1.769524 1.768540 0.000000 8.304427 4.243882 3.476326 5.505882 4.648709 2.151194 2.607113 2.134885 2.778962 4.244198 6.079374 3.896663 6.763855 4.574373 4.871393 5.915842 3.250200 6.790463 1.077415 4.290828 6.144597 6.573555 3.205557 4.741895 4.859053 6.460700 6.552531 7.818382 6.556927 4.846084 6.602657 4.230891 7.548687 5.875483 7.250329 0.000000 2.875927 6.019697 6.036373 6.022009 6.493813 6.537197 4.572819 8.433896 5.266054 5.252118 6.988250 3.407694 8.366936 3.872606 2.148261 3.401208 7.536051 8.528838 7.237822 5.376335 1.082908 2.153938 8.592778 5.411173 4.444442 7.186008 6.405293 8.897364 8.991666 2.475252 4.293099 7.551954 9.606630 8.230999 8.105536 6.963374 0.000000 11.355284 6.740460 7.106411 8.697664 4.942490 3.250589 5.517710 2.160480 4.597473 5.134611 5.884026 6.859594 6.188036 7.753494 7.565930 9.097987 2.194716 6.879874 3.175072 7.486408 8.934193 9.608836 1.079009 4.997633 6.215541 5.741839 6.852992 7.010470 5.410813 7.174836 9.843939 2.739685 7.362713 6.337507 7.749086 4.192194 9.575076 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3196539 0.1434215 0.1310313 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= 1.59D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 8.91D-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= 622 622 622 622 622 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.21407343148 -1580.21407343 1 1.574851640483e+03 -7.996365170402e+03 2.701235920688e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323822737 LenY= 11323428981 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. PT343.900S Wed Dec 22 16:38:18 2021 GINC-PIMPOLLAR PAULAPLA 22-Dec-2021 0 Wavefunction triflumizole_E CONF359 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.2140734 RMSD=4.266e-09 Dipole=-0.3237372,2.8969379,1.7155393 Quadrupole=-4.9958039,-2.5351304,7.5309343,16.3930689,0.288518,3.0149973 PG=C01[X(C15H15Cl1F3N3O1)] 0 -5.2985981763 1.0346987579 0.6888323941 0 0.0682589816 -0.1452562807 -1.9194319075 0 -0.6663449569 -2.1763537382 -1.678289479 0 -1.8492526171 -0.7165343199 -2.7634828101 0 2.2220257598 1.4641484795 -0.0883737531 0 2.5242850701 -1.1497211163 1.0008106984 0 0.2353091025 -1.1527351452 0.8845720913 0 3.9520895595 -2.8512455043 0.9108353284 0 1.2970509599 -0.4594846681 0.9526413978 0 1.3851141974 1.0505499768 0.9747479926 0 2.3759196593 2.8891211265 -0.1524908303 0 -1.0416820512 -0.5792479224 0.8206017665 0 3.2243833875 3.2289416882 -1.365204898 0 -1.7324316228 -0.4731005261 -0.4012340998 0 -1.6981383755 -0.1951529466 1.9957322407 0 -3.0343354851 0.0247365773 -0.4415202997 0 3.7805313232 -0.6351021522 1.3186274201 0 2.573882309 2.8255594616 -2.6901524904 0 2.7022341966 -2.4991063954 0.764744773 0 -1.0538356162 -0.8755139589 -1.6814420981 0 -2.9961601899 0.2990185026 1.9629248096 0 -3.6521716636 0.4058797745 0.7411266491 0 4.634209141 -1.6930406696 1.2628867739 0 1.7853401752 1.3734904009 1.9479702208 0 0.3794466766 1.4692956304 0.8715131146 0 2.8513936718 3.2444697692 0.7723523041 0 1.3844592228 3.3584167731 -0.2283930237 0 3.4046622166 4.3096170421 -1.3474644578 0 4.2005780299 2.7427783843 -1.2588313105 0 -1.1782220935 -0.2896738371 2.9414691219 0 -3.5546199148 0.1143196991 -1.3850548145 0 3.9413515749 0.4046452729 1.5396345446 0 3.2029689684 3.1121395038 -3.5379856018 0 2.4148458058 1.7454412877 -2.7399538083 0 1.601134687 3.3139349822 -2.8136787049 0 1.8795075879 -3.1362675729 0.4855130535 0 -3.4881543597 0.5976445942 2.8802324858 0 5.697117574 -1.6965132898 1.4485582467 Gaussian 16 22-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=n-Octanol) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 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/octanol/CONF35 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=25/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum triflumizole_E CONF359 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 2140.1057247049 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 -0.0396506615 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 6.082639 0.000000 6.113256 2.173281 0.000000 5.184909 2.171550 2.169790 0.000000 7.572863 3.252948 4.911596 5.337311 0.000000 8.128132 3.945736 4.290882 5.786656 2.847806 0.000000 5.953764 2.984185 2.903280 4.224213 3.426623 2.291927 0.000000 10.036188 5.515155 5.337507 7.191187 4.755435 2.223040 4.086574 0.000000 6.767922 3.139661 3.704640 4.875949 2.374796 1.408847 1.269853 3.573723 0.000000 6.689844 3.397107 4.654031 5.249580 1.414819 2.477818 2.486895 4.670916 1.512762 0.000000 7.940084 4.201764 6.102661 6.137598 1.434692 4.202899 4.689810 6.047047 3.687606 2.373332 0.000000 4.554506 2.987993 2.989328 3.676504 3.956450 3.615804 1.401316 5.487064 2.345517 2.927344 4.965531 0.000000 9.037421 4.653332 6.667309 6.577518 2.397814 5.026018 5.761524 6.532885 4.763561 3.688317 1.518566 6.122040 0.000000 4.022344 2.378002 2.380858 2.377630 4.414584 4.532459 2.446876 6.300070 3.318272 3.732818 5.314599 1.407581 6.261339 0.000000 4.022914 4.295481 4.299790 4.790073 4.739669 4.441838 2.426903 6.336948 3.182620 3.478596 5.543064 1.399784 6.873976 2.413271 0.000000 2.724813 3.440816 3.461470 2.710242 5.461314 5.861564 3.719615 7.675303 4.575922 4.752856 6.128548 2.434834 7.091663 1.394424 2.788185 0.000000 9.252863 4.950348 5.579577 6.954475 2.969082 1.394272 3.609009 2.259871 2.516438 2.949186 4.069063 4.848184 4.737414 5.777277 5.537856 7.069365 0.000000 8.752181 3.962058 6.045004 5.667092 2.957447 5.424806 5.837329 6.862411 5.068704 4.242090 2.546165 6.081975 1.530149 5.887669 7.023701 6.659809 5.431620 0.000000 8.746820 4.436580 4.173717 6.028431 4.082377 1.381388 2.812969 1.306707 2.483929 3.791961 5.475472 4.207836 6.133503 5.013030 5.117305 6.382248 2.223516 6.348611 0.000000 5.223516 1.359784 1.357329 1.352322 4.329337 4.480247 2.884991 5.973500 3.555017 4.088220 5.317273 2.519552 5.937147 1.503782 3.794684 2.504044 5.694675 5.279752 4.767383 0.000000 2.732354 4.965958 4.981360 4.968468 5.726676 5.787903 3.703083 7.701249 4.475228 4.553774 6.327943 2.428217 7.639114 2.789700 1.389296 2.420340 6.871044 7.685045 6.460405 4.293432 0.000000 1.763198 4.606943 4.629975 4.097880 6.026126 6.374633 4.190747 8.274204 5.028757 5.083741 6.580496 2.791317 7.726145 2.400624 2.398650 1.387676 7.527431 7.509479 6.986986 3.776527 1.390885 0.000000 10.316529 5.776737 6.081117 7.694186 4.196710 2.194461 4.448075 1.389484 3.571350 4.262268 5.300884 5.801025 5.755031 6.692658 6.548233 8.041290 1.360554 6.347378 2.151840 6.456878 7.917126 8.563983 0.000000 7.202943 4.495749 5.635771 6.306842 2.084613 2.794592 3.148845 4.859922 2.142173 1.100742 2.656663 3.616103 4.060871 4.615558 3.820673 5.545996 2.900225 4.923666 4.151834 5.127531 4.900761 5.653254 4.241345 0.000000 5.697582 3.239288 4.570113 4.791466 2.077621 3.387669 2.626022 5.606460 2.137469 1.094245 2.655258 2.493738 4.024044 3.138920 2.889743 3.932520 4.024398 4.397779 4.599452 3.751001 3.735699 4.171547 5.315689 1.773267 0.000000 8.444669 5.146045 6.911256 7.091386 2.075210 4.412268 5.117803 6.195842 4.020916 2.646549 1.098946 5.457031 2.169911 6.017399 5.833173 6.817769 4.026511 3.498777 5.745518 6.184350 6.654850 7.096121 5.272387 2.453388 3.044930 0.000000 7.134720 4.107033 6.077967 5.786951 2.075904 4.809725 4.786411 6.815458 3.997356 2.602652 1.099542 4.742547 2.166662 4.942207 5.203556 5.539368 4.907405 2.785484 6.085510 5.097333 5.775086 5.918200 6.188862 2.972742 2.405956 1.779430 0.000000 9.519366 5.595054 7.664878 7.407491 3.328758 6.007814 6.698065 7.528449 5.698846 4.482495 2.122282 6.954961 1.095753 7.082335 7.583435 7.787273 5.630237 2.166895 7.163348 6.846556 8.247066 8.330683 6.660152 4.701376 4.705658 2.436035 2.497664 0.000000 9.846079 5.084604 6.932586 7.129605 2.630501 4.802863 5.957563 6.005190 4.855468 3.972323 2.138874 6.545318 1.095731 6.802790 7.349727 7.771726 4.269638 2.168334 5.815260 6.393708 8.254981 8.433659 5.120897 4.241686 4.556443 2.489518 3.061264 1.759637 0.000000 4.879122 5.020252 5.016348 5.760119 4.880320 4.267833 2.640790 6.083192 3.179819 3.497840 5.684123 2.144895 7.093027 3.393296 1.083358 3.871515 5.228974 7.449707 4.967662 4.661544 2.146860 3.383154 6.210590 3.540601 3.131297 5.782131 5.470277 7.781469 7.467917 0.000000 2.861742 3.671265 3.698013 2.344922 6.072319 6.651559 4.595671 8.391447 5.415975 5.553933 6.662585 3.414793 7.460305 2.152518 3.869369 1.081193 7.853405 6.827345 7.113358 2.705834 3.399259 2.148295 8.794036 6.419481 4.733386 7.449111 6.021340 8.126102 8.189495 4.952705 0.000000 9.300403 5.221913 6.184453 7.301025 2.594039 2.171282 4.072995 3.316071 2.843169 2.696412 3.389172 5.129881 4.114461 6.060464 5.689607 7.261509 1.075073 5.061808 3.250791 6.079970 6.951216 7.635392 2.226416 2.398705 3.777173 3.137090 4.288168 4.885917 3.655882 5.353247 8.051564 0.000000 9.718971 4.801744 6.811624 6.386199 3.946891 6.262966 6.823135 7.477643 6.046053 5.283892 3.492180 7.116227 2.176023 6.859398 8.098214 7.617357 6.161338 1.093937 7.088745 6.121153 8.752306 8.522183 6.941655 5.926912 5.487704 4.326676 3.784314 2.504599 2.515193 8.529391 7.699808 5.801548 0.000000 8.471065 3.123214 5.099151 4.923862 2.673421 4.731518 5.127084 6.068023 4.443695 3.916916 2.829220 5.479902 2.178545 5.252756 6.565765 6.159318 4.899405 1.092899 5.511959 4.474551 7.313562 7.121871 5.724637 4.744603 4.154732 3.843690 3.157740 3.081195 2.525321 7.023560 6.334890 4.737386 1.768009 0.000000 8.066524 3.887852 6.047631 5.305881 3.351791 5.943632 5.957657 7.576836 5.340068 4.418343 2.804047 5.945532 2.177208 5.592333 6.806566 6.159021 6.117239 1.095448 6.914404 5.087466 7.282910 6.977869 7.133564 5.145149 4.298355 3.798367 2.594731 2.528612 3.082349 7.337067 6.233804 5.735148 1.769524 1.768540 0.000000 8.304427 4.243882 3.476326 5.505882 4.648709 2.151194 2.607113 2.134885 2.778962 4.244198 6.079374 3.896663 6.763855 4.574373 4.871393 5.915842 3.250200 6.790463 1.077415 4.290828 6.144597 6.573555 3.205557 4.741895 4.859053 6.460700 6.552531 7.818382 6.556927 4.846084 6.602657 4.230891 7.548687 5.875483 7.250329 0.000000 2.875927 6.019697 6.036373 6.022009 6.493813 6.537197 4.572819 8.433896 5.266054 5.252118 6.988250 3.407694 8.366936 3.872606 2.148261 3.401208 7.536051 8.528838 7.237822 5.376335 1.082908 2.153938 8.592778 5.411173 4.444442 7.186008 6.405293 8.897364 8.991666 2.475252 4.293099 7.551954 9.606630 8.230999 8.105536 6.963374 0.000000 11.355284 6.740460 7.106411 8.697664 4.942490 3.250589 5.517710 2.160480 4.597473 5.134611 5.884026 6.859594 6.188036 7.753494 7.565930 9.097987 2.194716 6.879874 3.175072 7.486408 8.934193 9.608836 1.079009 4.997633 6.215541 5.741839 6.852992 7.010470 5.410813 7.174836 9.843939 2.739685 7.362713 6.337507 7.749086 4.192194 9.575076 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3196539 0.1434215 0.1310313 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= 1.59D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 8.91D-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= 622 622 622 622 622 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.21407343148 -1580.21407343 1 1.574851640483e+03 -7.996365170402e+03 2.701235920688e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323822737 LenY= 11323428981 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 4.0624 305.20 0.0425 0.000 88 90 -0.22141 89 90 0.64397 89 91 0.11822 -1580.06478422 2 Singlet-A 4.3676 283.87 0.0394 0.000 88 90 0.65063 88 91 0.11392 89 90 0.23646 3 Singlet-A 4.6563 266.27 0.0548 0.000 86 92 -0.19689 88 91 -0.24379 89 91 0.60443 4 Singlet-A 4.9459 250.68 0.0286 0.000 87 90 0.65389 87 91 0.13502 88 91 -0.19482 5 Singlet-A 4.9653 249.70 0.0207 0.000 87 90 0.19333 88 91 0.60409 89 91 0.27702 6 Singlet-A 5.1638 240.10 0.4780 0.000 85 90 0.18373 86 90 -0.20490 89 92 0.62148 7 Singlet-A 5.2875 234.49 0.0412 0.000 86 90 0.10006 88 92 0.66716 89 92 0.16218 8 Singlet-A 5.3591 231.35 0.0012 0.000 84 90 0.64349 84 91 0.22684 85 90 -0.10603 9 Singlet-A 5.5016 225.36 0.2556 0.000 85 90 0.46031 86 90 0.50447 86 91 0.13100 10 Singlet-A 5.5894 221.82 0.0094 0.000 85 90 -0.34420 85 91 0.10057 86 90 0.31537 86 91 0.14041 87 90 -0.11612 87 91 0.43348 89 92 0.14262 PT15921.600S Wed Dec 22 17:11:33 2021 GINC-PIMPOLLAR PAULAPLA 22-Dec-2021 0 Electronic spectrum triflumizole_E CONF359 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.2140734 RMSD=4.402e-09 PG=C01 [X(C15H15Cl1F3N3O1)] 0 -5.2985981763 1.0346987579 0.6888323941 0 0.0682589816 -0.1452562807 -1.9194319075 0 -0.6663449569 -2.1763537382 -1.678289479 0 -1.8492526171 -0.7165343199 -2.7634828101 0 2.2220257598 1.4641484795 -0.0883737531 0 2.5242850701 -1.1497211163 1.0008106984 0 0.2353091025 -1.1527351452 0.8845720913 0 3.9520895595 -2.8512455043 0.9108353284 0 1.2970509599 -0.4594846681 0.9526413978 0 1.3851141974 1.0505499768 0.9747479926 0 2.3759196593 2.8891211265 -0.1524908303 0 -1.0416820512 -0.5792479224 0.8206017665 0 3.2243833875 3.2289416882 -1.365204898 0 -1.7324316228 -0.4731005261 -0.4012340998 0 -1.6981383755 -0.1951529466 1.9957322407 0 -3.0343354851 0.0247365773 -0.4415202997 0 3.7805313232 -0.6351021522 1.3186274201 0 2.573882309 2.8255594616 -2.6901524904 0 2.7022341966 -2.4991063954 0.764744773 0 -1.0538356162 -0.8755139589 -1.6814420981 0 -2.9961601899 0.2990185026 1.9629248096 0 -3.6521716636 0.4058797745 0.7411266491 0 4.634209141 -1.6930406696 1.2628867739 0 1.7853401752 1.3734904009 1.9479702208 0 0.3794466766 1.4692956304 0.8715131146 0 2.8513936718 3.2444697692 0.7723523041 0 1.3844592228 3.3584167731 -0.2283930237 0 3.4046622166 4.3096170421 -1.3474644578 0 4.2005780299 2.7427783843 -1.2588313105 0 -1.1782220935 -0.2896738371 2.9414691219 0 -3.5546199148 0.1143196991 -1.3850548145 0 3.9413515749 0.4046452729 1.5396345446 0 3.2029689684 3.1121395038 -3.5379856018 0 2.4148458058 1.7454412877 -2.7399538083 0 1.601134687 3.3139349822 -2.8136787049 0 1.8795075879 -3.1362675729 0.4855130535 0 -3.4881543597 0.5976445942 2.8802324858 0 5.697117574 -1.6965132898 1.4485582467 Gaussian 16 22-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=n-Octanol) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 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/octanol/CONF35 #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-O 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point triflumizole_E CONF359 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 2140.1057247049 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 -0.0396506615 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 6.082639 0.000000 6.113256 2.173281 0.000000 5.184909 2.171550 2.169790 0.000000 7.572863 3.252948 4.911596 5.337311 0.000000 8.128132 3.945736 4.290882 5.786656 2.847806 0.000000 5.953764 2.984185 2.903280 4.224213 3.426623 2.291927 0.000000 10.036188 5.515155 5.337507 7.191187 4.755435 2.223040 4.086574 0.000000 6.767922 3.139661 3.704640 4.875949 2.374796 1.408847 1.269853 3.573723 0.000000 6.689844 3.397107 4.654031 5.249580 1.414819 2.477818 2.486895 4.670916 1.512762 0.000000 7.940084 4.201764 6.102661 6.137598 1.434692 4.202899 4.689810 6.047047 3.687606 2.373332 0.000000 4.554506 2.987993 2.989328 3.676504 3.956450 3.615804 1.401316 5.487064 2.345517 2.927344 4.965531 0.000000 9.037421 4.653332 6.667309 6.577518 2.397814 5.026018 5.761524 6.532885 4.763561 3.688317 1.518566 6.122040 0.000000 4.022344 2.378002 2.380858 2.377630 4.414584 4.532459 2.446876 6.300070 3.318272 3.732818 5.314599 1.407581 6.261339 0.000000 4.022914 4.295481 4.299790 4.790073 4.739669 4.441838 2.426903 6.336948 3.182620 3.478596 5.543064 1.399784 6.873976 2.413271 0.000000 2.724813 3.440816 3.461470 2.710242 5.461314 5.861564 3.719615 7.675303 4.575922 4.752856 6.128548 2.434834 7.091663 1.394424 2.788185 0.000000 9.252863 4.950348 5.579577 6.954475 2.969082 1.394272 3.609009 2.259871 2.516438 2.949186 4.069063 4.848184 4.737414 5.777277 5.537856 7.069365 0.000000 8.752181 3.962058 6.045004 5.667092 2.957447 5.424806 5.837329 6.862411 5.068704 4.242090 2.546165 6.081975 1.530149 5.887669 7.023701 6.659809 5.431620 0.000000 8.746820 4.436580 4.173717 6.028431 4.082377 1.381388 2.812969 1.306707 2.483929 3.791961 5.475472 4.207836 6.133503 5.013030 5.117305 6.382248 2.223516 6.348611 0.000000 5.223516 1.359784 1.357329 1.352322 4.329337 4.480247 2.884991 5.973500 3.555017 4.088220 5.317273 2.519552 5.937147 1.503782 3.794684 2.504044 5.694675 5.279752 4.767383 0.000000 2.732354 4.965958 4.981360 4.968468 5.726676 5.787903 3.703083 7.701249 4.475228 4.553774 6.327943 2.428217 7.639114 2.789700 1.389296 2.420340 6.871044 7.685045 6.460405 4.293432 0.000000 1.763198 4.606943 4.629975 4.097880 6.026126 6.374633 4.190747 8.274204 5.028757 5.083741 6.580496 2.791317 7.726145 2.400624 2.398650 1.387676 7.527431 7.509479 6.986986 3.776527 1.390885 0.000000 10.316529 5.776737 6.081117 7.694186 4.196710 2.194461 4.448075 1.389484 3.571350 4.262268 5.300884 5.801025 5.755031 6.692658 6.548233 8.041290 1.360554 6.347378 2.151840 6.456878 7.917126 8.563983 0.000000 7.202943 4.495749 5.635771 6.306842 2.084613 2.794592 3.148845 4.859922 2.142173 1.100742 2.656663 3.616103 4.060871 4.615558 3.820673 5.545996 2.900225 4.923666 4.151834 5.127531 4.900761 5.653254 4.241345 0.000000 5.697582 3.239288 4.570113 4.791466 2.077621 3.387669 2.626022 5.606460 2.137469 1.094245 2.655258 2.493738 4.024044 3.138920 2.889743 3.932520 4.024398 4.397779 4.599452 3.751001 3.735699 4.171547 5.315689 1.773267 0.000000 8.444669 5.146045 6.911256 7.091386 2.075210 4.412268 5.117803 6.195842 4.020916 2.646549 1.098946 5.457031 2.169911 6.017399 5.833173 6.817769 4.026511 3.498777 5.745518 6.184350 6.654850 7.096121 5.272387 2.453388 3.044930 0.000000 7.134720 4.107033 6.077967 5.786951 2.075904 4.809725 4.786411 6.815458 3.997356 2.602652 1.099542 4.742547 2.166662 4.942207 5.203556 5.539368 4.907405 2.785484 6.085510 5.097333 5.775086 5.918200 6.188862 2.972742 2.405956 1.779430 0.000000 9.519366 5.595054 7.664878 7.407491 3.328758 6.007814 6.698065 7.528449 5.698846 4.482495 2.122282 6.954961 1.095753 7.082335 7.583435 7.787273 5.630237 2.166895 7.163348 6.846556 8.247066 8.330683 6.660152 4.701376 4.705658 2.436035 2.497664 0.000000 9.846079 5.084604 6.932586 7.129605 2.630501 4.802863 5.957563 6.005190 4.855468 3.972323 2.138874 6.545318 1.095731 6.802790 7.349727 7.771726 4.269638 2.168334 5.815260 6.393708 8.254981 8.433659 5.120897 4.241686 4.556443 2.489518 3.061264 1.759637 0.000000 4.879122 5.020252 5.016348 5.760119 4.880320 4.267833 2.640790 6.083192 3.179819 3.497840 5.684123 2.144895 7.093027 3.393296 1.083358 3.871515 5.228974 7.449707 4.967662 4.661544 2.146860 3.383154 6.210590 3.540601 3.131297 5.782131 5.470277 7.781469 7.467917 0.000000 2.861742 3.671265 3.698013 2.344922 6.072319 6.651559 4.595671 8.391447 5.415975 5.553933 6.662585 3.414793 7.460305 2.152518 3.869369 1.081193 7.853405 6.827345 7.113358 2.705834 3.399259 2.148295 8.794036 6.419481 4.733386 7.449111 6.021340 8.126102 8.189495 4.952705 0.000000 9.300403 5.221913 6.184453 7.301025 2.594039 2.171282 4.072995 3.316071 2.843169 2.696412 3.389172 5.129881 4.114461 6.060464 5.689607 7.261509 1.075073 5.061808 3.250791 6.079970 6.951216 7.635392 2.226416 2.398705 3.777173 3.137090 4.288168 4.885917 3.655882 5.353247 8.051564 0.000000 9.718971 4.801744 6.811624 6.386199 3.946891 6.262966 6.823135 7.477643 6.046053 5.283892 3.492180 7.116227 2.176023 6.859398 8.098214 7.617357 6.161338 1.093937 7.088745 6.121153 8.752306 8.522183 6.941655 5.926912 5.487704 4.326676 3.784314 2.504599 2.515193 8.529391 7.699808 5.801548 0.000000 8.471065 3.123214 5.099151 4.923862 2.673421 4.731518 5.127084 6.068023 4.443695 3.916916 2.829220 5.479902 2.178545 5.252756 6.565765 6.159318 4.899405 1.092899 5.511959 4.474551 7.313562 7.121871 5.724637 4.744603 4.154732 3.843690 3.157740 3.081195 2.525321 7.023560 6.334890 4.737386 1.768009 0.000000 8.066524 3.887852 6.047631 5.305881 3.351791 5.943632 5.957657 7.576836 5.340068 4.418343 2.804047 5.945532 2.177208 5.592333 6.806566 6.159021 6.117239 1.095448 6.914404 5.087466 7.282910 6.977869 7.133564 5.145149 4.298355 3.798367 2.594731 2.528612 3.082349 7.337067 6.233804 5.735148 1.769524 1.768540 0.000000 8.304427 4.243882 3.476326 5.505882 4.648709 2.151194 2.607113 2.134885 2.778962 4.244198 6.079374 3.896663 6.763855 4.574373 4.871393 5.915842 3.250200 6.790463 1.077415 4.290828 6.144597 6.573555 3.205557 4.741895 4.859053 6.460700 6.552531 7.818382 6.556927 4.846084 6.602657 4.230891 7.548687 5.875483 7.250329 0.000000 2.875927 6.019697 6.036373 6.022009 6.493813 6.537197 4.572819 8.433896 5.266054 5.252118 6.988250 3.407694 8.366936 3.872606 2.148261 3.401208 7.536051 8.528838 7.237822 5.376335 1.082908 2.153938 8.592778 5.411173 4.444442 7.186008 6.405293 8.897364 8.991666 2.475252 4.293099 7.551954 9.606630 8.230999 8.105536 6.963374 0.000000 11.355284 6.740460 7.106411 8.697664 4.942490 3.250589 5.517710 2.160480 4.597473 5.134611 5.884026 6.859594 6.188036 7.753494 7.565930 9.097987 2.194716 6.879874 3.175072 7.486408 8.934193 9.608836 1.079009 4.997633 6.215541 5.741839 6.852992 7.010470 5.410813 7.174836 9.843939 2.739685 7.362713 6.337507 7.749086 4.192194 9.575076 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3196539 0.1434215 0.1310313 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= 1.07D-06 NBF= 1040 NBsUse= 1037 1.00D-06 EigRej= 8.55D-07 NBFU= 1037 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 -1580.21824982741 -1580.29433897637 -0.076089148958 -1580.29429499494 0.000043981425 -1580.29492902086 -0.000634025920 -1580.29496851465 -0.000039493786 -1580.29497182185 -0.000003307198 -1580.29497300437 -0.000001182525 -1580.29497304658 -0.000000042206 -1580.29497305491 -0.000000008328 -1580.29497305534 -0.000000000431 -1580.29497305512 0.000000000219 -1580.29497305533 -0.000000000211 -1580.29497305520 0.000000000126 -1580.29497306 13 1.574467977606e+03 -7.996513308989e+03 2.701686822529e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11321825393 LenY= 11320436531 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. PT15759.300S Wed Dec 22 17:44:27 2021 GINC-PIMPOLLAR PAULAPLA 22-Dec-2021 0 Single Point triflumizole_E CONF359 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.2949731 RMSD=1.363e-09 Dipole=-0.25121,2.8026448,1.6441488 Quadrupole=-5.2121766,-2.2560271,7.4682037,16.2183707,0.2479818,2.8663902 PG=C01 [X(C15H15Cl1F3N3O1)] 0 -5.2985981763 1.0346987579 0.6888323941 0 0.0682589816 -0.1452562807 -1.9194319075 0 -0.6663449569 -2.1763537382 -1.678289479 0 -1.8492526171 -0.7165343199 -2.7634828101 0 2.2220257598 1.4641484795 -0.0883737531 0 2.5242850701 -1.1497211163 1.0008106984 0 0.2353091025 -1.1527351452 0.8845720913 0 3.9520895595 -2.8512455043 0.9108353284 0 1.2970509599 -0.4594846681 0.9526413978 0 1.3851141974 1.0505499768 0.9747479926 0 2.3759196593 2.8891211265 -0.1524908303 0 -1.0416820512 -0.5792479224 0.8206017665 0 3.2243833875 3.2289416882 -1.365204898 0 -1.7324316228 -0.4731005261 -0.4012340998 0 -1.6981383755 -0.1951529466 1.9957322407 0 -3.0343354851 0.0247365773 -0.4415202997 0 3.7805313232 -0.6351021522 1.3186274201 0 2.573882309 2.8255594616 -2.6901524904 0 2.7022341966 -2.4991063954 0.764744773 0 -1.0538356162 -0.8755139589 -1.6814420981 0 -2.9961601899 0.2990185026 1.9629248096 0 -3.6521716636 0.4058797745 0.7411266491 0 4.634209141 -1.6930406696 1.2628867739 0 1.7853401752 1.3734904009 1.9479702208 0 0.3794466766 1.4692956304 0.8715131146 0 2.8513936718 3.2444697692 0.7723523041 0 1.3844592228 3.3584167731 -0.2283930237 0 3.4046622166 4.3096170421 -1.3474644578 0 4.2005780299 2.7427783843 -1.2588313105 0 -1.1782220935 -0.2896738371 2.9414691219 0 -3.5546199148 0.1143196991 -1.3850548145 0 3.9413515749 0.4046452729 1.5396345446 0 3.2029689684 3.1121395038 -3.5379856018 0 2.4148458058 1.7454412877 -2.7399538083 0 1.601134687 3.3139349822 -2.8136787049 0 1.8795075879 -3.1362675729 0.4855130535 0 -3.4881543597 0.5976445942 2.8802324858 0 5.697117574 -1.6965132898 1.4485582467