Gaussian 16 GINC-IRENE3731 ZOUBRITL NO2_H-H- ES64L-G16RevC.01 13-Mar-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 RwB97XD GenECP FOpt # opt=maxstep=5 freq wb97xd/genecp scrf=(solvent=toluene,pcm)nosymm pop=(regular,orbitals=20) optcyc=300 scfcyc=300 105.86560320000001 -1 1 AuxInfo=1/0/N:8,1,3,14,6,15,5,4/CRV:2.3,3.3,4.3,5.4,7.2/rA:15nC3HC3NN2B4HCHHHHHC3F/rB:s1;s1;s1;s3;s3;s6;s4;s8;s8;s8;s6;s6;s4s5;s14;/rC:2.9403,1.7472,.8964;3.4878,2.4483,1.508;3.0252,.384,.7876;1.9391,2.1868,.0287;2.05,-.0208,-.1409;4.0198,-.6294,1.5491;4.6924,-1.2706,.7337;1.5232,3.5454,-.2105;2.3885,4.2078,-.1452;1.101,3.6207,-1.2143;.773,3.8788,.5155;3.3796,-1.4335,2.2379;4.7832,.0127,2.2827;1.4456,1.065,-.5488;.4389,1.0677,-1.4482; /ccc/products/gaussian-16-C.01/system/default/g16/g16 Output=F_H-H-.log nprocshared=64 mem=60GB chk=F_H-H-.chk # opt=maxstep=5 freq wb97xd/genecp scrf=(solvent=toluene,pcm) nosymm p 1/6=300,8=5,18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,15=1,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=2201,71=1,72=13,74=-58/1,2,3 4//1 5/5=2,7=300,38=5,53=13/2 6/28=1,96=20/1 7/30=1/1,2,3,16 1/6=300,8=5,18=20,19=15,26=3/3(2) 2/9=110,15=1/2 99//99 2/9=110,15=1/2 3/5=7,6=1,11=2,16=1,17=8,25=1,30=1,70=2205,71=1,72=13,74=-58,82=7/1,2,3 4/5=5,16=3,69=1/1 5/5=2,7=300,38=5,53=13/2 7/30=1/1,2,3,16 1/6=300,8=5,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/19=2,28=1,96=20/1 99/9=1/99 NO2_H-H- Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 1 1 1 3 3 4 4 5 6 6 6 8 8 8 14 2 3 4 5 6 8 14 14 7 12 13 9 10 11 15 1.0796 1.3702 1.3958 1.406 1.6113 1.4409 1.3548 1.3079 1.2362 1.2372 1.2382 1.0917 1.0916 1.0958 1.35 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 3 1 1 5 1 1 8 3 3 3 3 7 7 12 4 4 4 9 9 10 4 4 5 1 1 1 3 3 3 4 4 4 5 6 6 6 6 6 6 8 8 8 8 8 8 14 14 14 3 4 4 5 6 6 8 14 14 14 7 12 13 12 13 13 9 10 11 10 11 11 5 15 15 131.2767 120.7588 107.9634 107.2112 128.7895 123.9988 127.3859 105.3966 127.2163 106.7024 110.5039 110.6379 109.5391 108.1572 108.9248 109.0364 109.4759 109.2288 111.9913 108.6407 108.5692 108.8731 112.7147 123.6426 123.6426 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 4 4 2 2 3 3 1 6 1 1 1 5 5 5 1 1 1 14 14 14 1 1 8 8 3 3 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 3 3 3 3 4 4 4 4 5 5 6 6 6 6 6 6 8 8 8 8 8 8 14 14 14 14 14 14 5 6 5 6 8 14 8 14 14 14 7 12 13 7 12 13 9 10 11 9 10 11 5 15 5 15 4 15 178.6375 -1.092 -0.9725 179.298 1.8221 -178.5641 -178.519 1.0948 0.4677 -179.7866 -121.6107 118.6297 -1.6018 58.7009 -61.0587 178.7099 34.5446 153.3878 -85.9263 -144.9879 -26.1447 94.5412 -0.8353 179.1647 178.7794 -1.2206 0.2425 -179.7575 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 Berny optimization. local minimum Step number 20 out of a maximum of 100 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00021 0.00223 0.00376 0.01377 0.02105 0.02592 0.04661 0.05042 0.06987 0.07184 0.07783 0.07852 0.11726 0.15799 0.15996 0.16039 0.16100 0.16366 0.17293 0.17663 0.21772 0.22060 0.22150 0.22648 0.23056 0.24584 0.24898 0.26252 0.34152 0.34611 0.34849 0.36103 0.38968 0.40198 0.44078 0.49132 0.51751 0.56008 0.61264 -7.32794383e-11 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 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 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 2.03935 2.58932 2.64307 2.67349 3.04296 2.72785 2.54177 2.42955 2.33336 2.33367 2.33680 2.06369 2.05902 2.06678 2.53265 2.29080 2.10502 1.88735 1.87390 2.24873 2.16054 2.22975 1.81032 2.24167 1.83318 1.92605 1.92863 1.90553 1.89101 1.90803 1.90435 1.91764 1.90866 1.93767 1.89689 1.90291 1.89953 2.01998 2.07761 2.18557 -3.13910 -0.00292 -0.00380 3.13239 -0.05211 -3.13956 3.09497 0.00752 -0.00168 -3.13821 -2.10856 2.08351 -0.01105 1.02683 -1.06429 3.12433 0.88973 2.97036 -1.21659 -2.31903 -0.23840 1.85783 -0.00937 3.13795 -3.09631 0.05101 0.00710 -3.14061 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00007 0.00000 -0.00006 0.00001 -0.00000 -0.00000 0.00007 0.00007 0.00007 0.00007 0.00007 0.00007 -0.00013 -0.00013 -0.00012 -0.00022 -0.00022 -0.00022 -0.00001 -0.00000 0.00006 0.00007 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00002 -0.00000 -0.00001 -0.00001 0.00001 -0.00002 0.00001 -0.00000 0.00000 -0.00001 -0.00002 -0.00000 -0.00002 -0.00002 -0.00001 0.00001 0.00002 0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 0.00002 0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00008 0.00001 -0.00008 0.00001 -0.00000 0.00000 0.00005 0.00005 0.00006 0.00005 0.00005 0.00006 -0.00011 -0.00011 -0.00011 -0.00023 -0.00023 -0.00023 -0.00002 -0.00001 0.00008 0.00009 0.00001 0.00001 2.03935 2.58932 2.64307 2.67349 3.04296 2.72786 2.54177 2.42955 2.33337 2.33367 2.33680 2.06368 2.05903 2.06678 2.53265 2.29080 2.10502 1.88735 1.87390 2.24874 2.16054 2.22975 1.81032 2.24168 1.83319 1.92605 1.92862 1.90553 1.89102 1.90803 1.90434 1.91763 1.90867 1.93768 1.89689 1.90291 1.89953 2.01998 2.07761 2.18557 -3.13911 -0.00293 -0.00380 3.13238 -0.05220 -3.13955 3.09489 0.00754 -0.00168 -3.13821 -2.10850 2.08356 -0.01099 1.02688 -1.06425 3.12439 0.88962 2.97025 -1.21670 -2.31926 -0.23864 1.85760 -0.00939 3.13794 -3.09623 0.05110 0.00712 -3.14060 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000001 0.000271 0.000065 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -9.341631e-11 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 1 1 1 3 3 4 4 5 6 6 6 8 8 8 14 2 3 4 5 6 8 14 14 7 12 13 9 10 11 15 1.0792 1.3702 1.3987 1.4148 1.6103 1.4435 1.345 1.2857 1.2348 1.2349 1.2366 1.0921 1.0896 1.0937 1.3402 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 1 5 1 1 8 3 3 3 3 7 7 12 4 4 4 9 9 10 4 4 5 1 1 1 3 3 3 4 4 4 5 6 6 6 6 6 6 8 8 8 8 8 8 14 14 14 3 4 4 5 6 6 8 14 14 14 7 12 13 12 13 13 9 10 11 10 11 11 5 15 15 131.2532 120.609 108.1369 107.3667 128.8428 123.7897 127.7555 103.7236 128.4385 105.0336 110.3545 110.5023 109.1786 108.347 109.3219 109.1112 109.8725 109.3583 111.0205 108.6835 109.0286 108.8348 115.7366 119.0385 125.224 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 4 4 2 2 3 3 1 6 1 1 1 5 5 5 1 1 1 14 14 14 1 1 8 8 3 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 3 3 3 3 4 4 4 4 5 5 6 6 6 6 6 6 8 8 8 8 8 8 14 14 14 14 14 5 6 5 6 8 14 8 14 14 14 7 12 13 7 12 13 9 10 11 9 10 11 5 15 5 15 4 -179.8575 -0.1671 -0.2175 179.4728 -2.9859 -179.8836 177.3286 0.4309 -0.0963 -179.8061 -120.8113 119.3761 -0.6334 58.833 -60.9795 179.011 50.978 170.189 -69.7056 -132.8706 -13.6596 106.4458 -0.5367 179.7911 -177.4052 2.9225 0.4071 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 (5D, 7F) 1 6 No pseudopotential on this center. 2 1 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 7 No pseudopotential on this center. 5 7 No pseudopotential on this center. 6 5 No pseudopotential on this center. 7 1 No pseudopotential on this center. 8 6 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 1 No pseudopotential on this center. 13 1 No pseudopotential on this center. 14 6 No pseudopotential on this center. 15 9 No pseudopotential on this center. 15 15 15 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 105.86560320000001 AuxInfo=1/0/N:8,1,3,14,6,15,5,4/CRV:2.3,3.3,4.3,5.4,7.2/rA:15nC3HC3NN2B4HCHHHHHC3F/rB:s1;s1;s1;s3;s3;s6;s4;s8;s8;s8;s6;s6;s4s5;s14;/rC:2.9403,1.7472,.8964;3.4878,2.4483,1.508;3.0252,.384,.7876;1.9391,2.1868,.0287;2.05,-.0208,-.1409;4.0198,-.6294,1.5491;4.6923,-1.2705,.7337;1.5232,3.5454,-.2105;2.3885,4.2078,-.1452;1.101,3.6207,-1.2143;.773,3.8788,.5155;3.3797,-1.4335,2.2379;4.7832,.0127,2.2827;1.4456,1.065,-.5488;.4389,1.0677,-1.4482; 0.000000 1.079561 0.000000 1.370161 2.234816 0.000000 1.395832 2.157573 2.237267 0.000000 2.234815 3.298909 1.406047 2.216859 0.000000 2.690662 3.123610 1.611282 3.817290 2.665870 0.000000 3.493258 3.984978 2.349421 4.475519 3.051051 1.236193 0.000000 2.543023 2.831372 3.639620 1.440909 3.605622 5.172877 5.841982 0.000000 2.728416 2.652859 3.987146 2.077749 4.242193 5.378750 6.007735 1.091726 0.000000 3.368702 3.805595 4.264569 2.074589 3.913265 5.849766 6.373162 1.091623 1.773513 0.000000 3.063618 3.225142 4.166515 2.111768 4.155518 5.651008 6.474891 1.095814 1.776123 1.779420 0.000000 3.479847 3.951282 2.352085 4.479025 3.069591 1.237245 2.003045 5.850691 6.203726 6.531091 6.162910 0.000000 2.885621 2.865377 2.337510 4.230352 3.653161 1.238219 2.013514 5.415167 5.406368 6.229436 5.843919 2.015770 0.000000 2.188112 3.211607 2.178233 1.354756 1.307926 3.728116 4.200110 2.504579 3.305935 2.663326 3.082583 4.212923 4.501590 0.000000 3.495105 4.465565 3.486432 2.384187 2.342990 4.968643 5.321690 2.974361 3.919092 2.647832 3.445256 5.337751 5.822894 1.350000 0.000000 3.8075157 1.6679303 1.1794835 -10.22794 -10.20338 -6.66965 -1.30015 -1.06115 -0.92761 -0.78294 -0.75808 -0.63643 -0.63374 -0.57542 -0.54240 -0.50844 -0.49978 -0.49643 -0.47426 -0.44891 -0.42998 -0.41745 -0.31582 -0.30123 -0.27778 -0.27088 -0.26648 -0.21421 0.07344 0.10146 0.10336 0.11318 0.12835 0.13366 0.13963 0.14711 0.15369 0.16138 0.16529 0.17052 0.17564 0.17941 0.19313 0.19425 0.20236 0.20770 0.21708 0.21968 0.22478 0.23906 0.24859 0.25536 0.25982 0.27095 0.27141 0.27778 0.29103 0.30292 0.31474 0.32498 0.32550 0.34411 0.35200 0.36122 0.36520 0.36997 0.38003 0.38339 0.39347 0.39807 0.41230 0.41860 0.43123 0.43465 0.44993 0.46682 0.46775 0.48705 0.50452 0.51756 0.52286 0.55918 0.57397 0.58350 0.59612 0.60672 0.61874 0.64824 0.68589 0.71721 0.72555 0.73174 0.75448 0.76416 0.76637 0.78292 0.78950 0.80448 0.80788 0.82170 0.85782 0.87708 0.89091 0.89414 0.94347 0.98245 0.98799 1.00479 1.02593 1.05418 1.06145 1.06834 1.09763 1.13135 1.14832 1.17561 1.20511 1.23934 1.28103 1.29350 1.32582 1.35395 1.36408 1.41892 1.43624 1.48232 1.50832 1.51907 1.52396 1.55099 1.55456 1.57346 1.59300 1.60907 1.61445 1.66811 1.68247 1.70976 1.73906 1.76038 1.78004 1.81250 1.83527 1.86253 1.86800 1.88584 1.94978 1.96240 2.00023 2.01826 2.04456 2.08714 2.12537 2.15163 2.19129 2.21126 2.25530 2.26634 2.28417 2.29546 2.32754 2.35467 2.35960 2.38696 2.41648 2.54853 2.57013 2.58912 2.60347 2.63473 2.67590 2.70438 2.72356 2.75113 2.77458 2.81867 2.83316 2.83703 2.87864 2.90319 2.91590 2.96898 2.97797 3.03812 3.05772 3.08227 3.10942 3.13837 3.16743 3.18399 3.19995 3.31091 3.44103 3.57471 3.70199 3.76767 3.84485 3.89107 3.90466 3.93127 3.94696 3.96469 4.08192 4.11072 4.15141 4.19643 4.21777 4.62759 4.79402 5.05915 5.17954 5.44055 6.45785 6.57775 6.89775 14.93594 23.95365 23.99839 24.10848 24.35540 35.68404 35.88523 66.98064 26 27 28 29 30 31 32 33 34 35 O|O|O|O|O|V|V|V|V|V -0.30123 -0.27778 -0.27088 -0.26648 -0.21421 0.07344 0.10146 0.10336 0.11318 0.12835 0.00051 0.01993 0.00113 -0.01461 0.00019 -0.00515 -0.00723 -0.00348 0.00566 0.00248 0.00084 0.03237 0.00183 -0.02334 0.00031 -0.00837 -0.01144 -0.00548 0.00913 0.00417 -0.00917 -0.00666 0.06275 0.01203 -0.10366 0.00565 0.01175 0.01313 -0.00844 -0.00589 -0.00113 0.07618 0.01491 -0.04251 -0.01565 0.00960 0.01622 0.00675 0.00083 -0.01744 0.00849 0.00864 -0.06675 0.00206 0.11204 0.00593 0.02020 -0.00268 -0.00974 0.00012 -0.00289 -0.09600 -0.00528 0.06726 -0.00087 0.02754 0.02945 0.01015 -0.02503 -0.01551 -0.01514 -0.00745 0.10125 0.01828 -0.16349 0.01000 0.02277 0.02595 -0.00386 0.00181 -0.00184 0.10661 0.02248 -0.05670 -0.02419 0.00288 0.01129 0.00622 0.00119 -0.02364 0.01473 0.01452 -0.10770 0.00390 0.17571 0.01023 0.02708 0.00043 -0.00845 0.00046 -0.00264 -0.15166 -0.01086 0.12584 0.00705 0.00536 0.10738 0.19933 -0.41176 0.05648 -0.00300 -0.01178 0.09148 -0.00038 -0.18839 0.04541 0.00161 -0.06612 0.10250 -0.06401 0.00230 0.10143 0.02087 -0.05491 -0.03361 0.11365 0.14600 0.02716 0.12966 -0.12551 -0.00153 0.01057 -0.09468 -0.01290 0.20250 0.04967 0.07190 -0.11866 0.11331 -0.00291 0.11182 -0.23695 -0.04701 -0.37913 -0.03068 -3.03281 -7.66058 10.51403 -6.10726 22.58606 -0.00627 -0.01670 0.02741 -0.01060 -0.03242 0.81341 1.51037 0.29437 0.13691 -1.72447 -0.05036 0.08470 0.03456 0.12467 0.00051 1.60172 5.97018 -2.30178 -0.70557 -8.49701 -0.00827 -0.00076 -0.02894 0.00757 0.05882 0.86250 1.98404 -0.17771 -0.27813 -2.90722 -0.01101 -0.00067 0.00770 0.00036 0.00009 0.00054 -0.00033 -0.00242 0.00007 0.00343 -0.00275 0.00210 0.00125 -0.00349 0.00173 0.00176 -0.00242 0.00286 -0.00550 0.00386 0.01217 -0.00601 -0.00251 0.00222 -0.01110 -0.00013 -0.00120 -0.00381 0.00364 0.00601 0.00886 0.00125 -0.00449 -0.00132 -0.00273 0.00094 -0.00137 0.00025 -0.00130 0.00061 -0.00981 -0.00665 0.00130 0.00286 0.00935 -0.00026 -0.00449 0.00148 0.00394 -0.00029 -0.00096 0.01886 0.00213 -0.00266 -0.00004 0.00680 0.00221 0.00220 -0.00286 0.00272 -0.00189 0.03458 0.00334 -0.00518 0.00078 0.02494 0.05138 0.01705 -0.06573 -0.02436 0.00439 0.00923 -0.00115 -0.00444 -0.00329 -0.30374 -0.68652 -0.02522 0.21493 0.51306 0.01431 0.00938 -0.00549 -0.02706 -0.01371 -1.38061 -5.67944 -1.59346 1.56753 6.16789 -0.00085 -0.00409 0.00571 0.00053 -0.00954 -0.00176 -0.00582 0.00191 0.00301 0.00141 0.00005 0.00149 0.00093 -0.00108 -0.00154 -0.00391 -0.00841 -0.00319 0.00471 0.00332 0.00094 -0.00319 -0.00639 0.00006 0.01006 -0.00175 -0.00385 -0.00505 0.00363 0.00662 -0.00096 -0.03155 -0.00095 0.00379 -0.00000 0.00221 0.00029 -0.00018 -0.00194 -0.00102 -0.00154 -0.05105 -0.00154 0.00617 -0.00002 0.00353 0.00066 -0.00012 -0.00378 -0.00137 0.06281 0.04465 0.01460 -0.00067 -0.08145 0.00397 0.00582 -0.01768 -0.00429 0.01469 0.00841 -0.11561 -0.00457 0.04307 -0.01286 -0.00451 -0.00007 -0.00158 -0.00553 0.00639 -0.06889 0.02719 -0.01443 0.00424 0.09155 0.00218 -0.01166 0.01830 -0.00455 -0.01356 0.00428 0.14029 0.00422 -0.01840 0.00029 -0.00726 -0.00503 -0.00467 0.02581 -0.00268 0.10101 0.05880 0.02438 0.00168 -0.13024 0.00544 0.01080 -0.03335 -0.00802 0.03075 0.01332 -0.16849 -0.00597 0.06417 -0.02030 0.00291 -0.00346 -0.00603 -0.01753 0.01731 -0.11136 0.03454 -0.02504 0.00847 0.14628 0.00488 -0.02246 0.02836 -0.01054 -0.02422 0.00742 0.25538 0.00950 -0.02890 -0.00748 0.03866 0.12201 0.07120 -0.10713 0.10068 0.08198 0.05251 0.01219 -0.01457 -0.11102 0.03310 0.03448 0.00219 -0.16389 0.04612 0.01455 -0.08352 -0.00276 0.00151 -0.02297 -0.03402 0.05734 -0.03672 0.27010 -0.13255 -0.09044 0.03842 -0.01037 -0.01337 0.12812 0.02181 0.01122 0.05952 -0.11118 -0.00123 -0.13137 0.33411 0.05930 0.45752 0.02569 4.00239 11.78824 -9.68135 -1.68125 -16.76338 0.01399 0.03284 -0.02787 0.00284 -0.03419 -0.23098 -0.66416 0.90914 -2.47907 1.71610 -0.03146 0.03224 0.00610 0.14493 0.00321 0.48187 3.94974 -3.10977 4.29058 -10.61607 -0.00513 0.03136 0.03598 0.02282 0.02199 -0.07267 -0.10494 0.83960 -1.44758 -0.15882 0.00928 0.00594 -0.01915 -0.01025 -0.00597 -0.00026 0.00269 -0.00336 0.00155 -0.00122 0.00061 0.00785 -0.00057 -0.01459 -0.00366 0.00131 0.00351 0.00361 -0.00582 -0.00111 0.00449 -0.01264 -0.00494 -0.00019 0.01927 -0.00027 0.00238 -0.00024 -0.00045 0.00047 -0.00361 0.01364 0.01100 -0.01901 0.00853 -0.00012 0.00098 0.00207 0.00177 -0.00520 -0.00584 -0.01166 0.00690 -0.00360 -0.01650 -0.00043 0.00131 0.00297 0.00181 -0.00158 0.00046 0.00379 0.00001 0.00220 -0.00031 0.00078 0.00093 -0.00110 0.00980 -0.00363 0.00074 0.00614 0.00001 0.00357 -0.00052 0.00140 0.00163 -0.00184 0.01656 -0.00617 -0.10268 0.02555 0.05762 -0.01441 0.05248 0.00255 0.00452 -0.01803 0.00857 0.01074 -0.01227 0.02262 0.00798 0.00071 0.00647 -0.01532 0.01018 0.00235 -0.00232 -0.00384 0.11305 0.02690 -0.06064 -0.01616 -0.05626 -0.00028 -0.00783 0.01661 0.01049 -0.01036 -0.00204 -0.01740 -0.00016 -0.01039 0.00168 -0.00568 -0.00696 0.00811 -0.06488 0.02533 -0.15802 0.03595 0.08832 -0.02014 0.08080 0.00025 0.00187 -0.02551 0.01030 0.01303 -0.01849 0.03356 0.01187 0.00083 0.00990 -0.02023 0.01454 0.00093 -0.00390 -0.00633 0.17378 0.03824 -0.09347 -0.02303 -0.08614 -0.00193 -0.01482 0.02255 0.01543 -0.02063 -0.00616 -0.05747 -0.00004 -0.02160 0.00215 -0.01863 0.02538 -0.02711 0.02115 -0.03589 -0.16797 0.05011 0.09986 -0.02971 0.09055 0.05567 0.03388 -0.08094 0.07993 0.07234 -0.02141 0.04821 0.01657 -0.00374 0.01075 -0.15237 0.03188 0.07781 -0.06657 0.02138 0.18633 0.05292 -0.10269 -0.03287 -0.10328 0.02644 -0.00586 0.04224 0.06607 0.02896 -0.03140 -0.06505 0.01112 0.01386 0.00747 -1.90614 1.30781 -0.89622 -0.37406 -1.43726 -0.04600 0.02082 0.03537 -0.00724 0.04276 0.41438 -0.72585 -0.42310 0.12890 -0.03237 0.01149 0.02113 -0.00565 -0.01353 -0.00008 -1.65335 -0.31653 0.53219 -0.99334 0.37603 0.04418 0.02198 -0.02984 -0.00873 -0.04395 0.27197 -0.55037 -0.60338 0.10940 -0.28465 -0.00085 -0.00061 -0.01043 -0.00085 0.01800 -0.00152 0.00089 -0.00034 0.00058 -0.00034 0.00061 -0.00114 -0.00094 -0.00058 0.00106 0.00217 0.00087 -0.00015 -0.00100 -0.00047 -0.00314 0.00301 -0.00136 -0.00186 0.00226 0.00073 0.00121 0.00556 0.00169 -0.00011 -0.00040 -0.00335 0.00555 -0.00023 -0.00991 -0.00216 -0.00020 0.00150 0.00038 -0.00238 0.00289 0.00227 0.00293 -0.00191 -0.00428 -0.00023 0.00520 -0.00309 0.00072 0.00008 0.00084 0.03773 0.00136 -0.00042 0.00020 -0.00281 0.00041 -0.00099 0.01164 -0.00486 0.00135 0.06108 0.00221 -0.00076 0.00034 -0.00435 0.00066 -0.00170 0.01900 -0.00792 0.07384 0.00867 -0.10026 -0.03165 -0.00094 -0.00096 0.01194 -0.00890 0.00345 -0.00556 0.01405 0.16545 -0.00631 -0.03507 -0.00042 -0.00389 0.00424 -0.00111 0.00707 -0.01638 -0.08152 0.02312 0.11615 -0.02703 0.00046 -0.00096 0.00341 0.01453 0.00981 -0.00614 -0.00371 -0.17164 -0.00616 -0.00005 -0.00125 0.00718 -0.00111 0.00846 -0.05599 0.02217 0.11353 0.01340 -0.15402 -0.04485 -0.00081 -0.00182 0.02057 -0.01107 0.01083 -0.01200 0.02123 0.24004 -0.01021 -0.05163 -0.00062 -0.00360 0.00842 0.00008 0.01569 -0.02155 -0.12516 0.03378 0.17790 -0.03780 -0.00011 -0.00140 0.00265 0.02477 0.01724 -0.01367 -0.00763 -0.31405 -0.01141 0.00287 0.00139 0.13100 -0.02213 -0.02404 -0.17304 0.08751 0.10459 0.02850 -0.14137 -0.04761 -0.00734 -0.00806 0.01729 -0.03884 -0.01620 0.00506 0.01820 0.18312 -0.01115 -0.04422 -0.00001 0.02453 -0.00099 -0.02326 -0.04943 -0.03072 -0.11516 0.04132 0.16481 -0.04030 0.00760 -0.00374 0.02043 0.01020 0.00601 0.00454 0.01280 -0.21209 -0.02009 -0.02659 0.00062 -0.53280 -0.37975 0.07562 0.06666 -0.42535 0.01413 0.00100 -0.01520 -0.02279 0.00132 -0.16450 0.40611 0.24637 0.95250 -1.10764 0.01055 0.01204 -0.00802 -0.01964 -0.00010 -0.14170 -0.25932 0.24453 -0.31311 0.75732 -0.00824 0.00228 0.01523 -0.02263 -0.00429 -0.17273 0.16141 0.27985 0.70692 -0.93910 -0.00862 -0.00669 -0.00225 0.00063 0.01241 -0.00083 -0.00205 0.00393 0.00108 -0.00234 -0.00003 0.00371 -0.00195 -0.00065 0.00192 0.00022 -0.00078 0.00005 -0.00150 0.00176 -0.00634 -0.00319 0.01357 -0.00062 -0.00354 -0.00015 0.00051 -0.00097 0.00041 0.00026 0.00288 -0.00996 0.00400 0.00144 -0.00773 -0.00126 0.00075 -0.00234 0.00090 0.00274 0.00691 -0.00614 -0.01198 -0.00108 0.00109 -0.00055 -0.00014 -0.00037 0.00079 -0.00035 0.00009 -0.00379 -0.00013 0.00040 -0.00014 -0.00211 -0.00367 -0.00305 0.01284 -0.00308 0.00014 -0.00564 -0.00019 0.00062 -0.00020 -0.00329 -0.00625 -0.00490 0.02156 -0.00542 0.06789 -0.08897 0.06594 -0.04951 0.05279 -0.00015 0.01150 0.00113 -0.00650 -0.00230 0.01134 0.03636 0.01525 -0.13722 0.00884 0.00113 0.00191 -0.00072 0.00931 -0.02001 -0.07729 -0.06729 -0.07568 -0.06815 -0.05921 0.00000 0.00763 0.00728 -0.00454 -0.01517 -0.00019 0.01950 0.00064 -0.00213 0.00032 0.01033 0.02796 0.02202 -0.11113 0.04007 0.09060 -0.12270 0.08735 -0.06235 0.07033 0.00510 0.01704 0.00627 -0.02419 -0.01346 0.01526 0.04799 0.02012 -0.18114 0.01168 0.00279 0.01078 -0.00826 0.01282 -0.04548 -0.10357 -0.09343 -0.10074 -0.08736 -0.07861 0.00508 0.01464 0.00903 -0.01897 -0.02629 0.00062 -0.00714 -0.00026 -0.00485 -0.00128 -0.06961 -0.08733 -0.12078 0.80050 -0.38908 0.04950 -0.06344 0.07213 -0.03971 0.06089 0.01036 0.04751 0.07447 -0.24547 0.19823 0.00845 0.01793 0.01533 -0.12765 0.01006 -0.05125 -0.11474 -0.01103 0.31057 -0.02929 -0.05601 -0.04682 -0.08303 -0.05859 -0.06642 -0.00039 0.01172 0.09314 -0.18658 0.09733 -0.00938 -0.14448 -0.00350 -0.01952 0.02148 -0.47988 0.79935 -2.74105 10.09462 -10.99559 0.01134 0.00292 0.00926 -0.01886 0.00552 0.04428 -0.71534 0.63351 -0.83846 1.38643 0.00208 -0.00997 0.00196 -0.02874 0.00174 0.00297 -0.20899 0.22332 0.43763 0.42706 -0.00826 0.00214 -0.01018 -0.02019 -0.00793 0.08777 -0.16239 -0.24788 -0.66799 2.45471 0.00742 -0.00096 0.00340 0.00133 -0.00361 0.00026 0.00300 -0.00311 -0.00048 0.00363 0.00088 0.00616 0.00063 -0.02335 -0.00230 0.00115 0.00019 -0.00035 0.00448 -0.00250 0.00489 -0.01454 0.00874 -0.00652 0.01769 0.00156 0.00213 0.00267 -0.00758 0.00157 -0.00325 0.00380 0.00018 -0.00287 0.00608 0.00031 0.00142 0.00134 0.00273 -0.00376 -0.00531 -0.01587 -0.00832 -0.00659 -0.01462 0.00134 0.00404 0.00309 -0.00803 -0.00130 0.07838 -0.02123 0.07889 0.09239 0.07807 0.00004 0.00002 0.00057 -0.00548 0.01009 0.12304 -0.03220 0.12070 0.14563 0.12624 0.00055 -0.01491 0.01299 -0.04845 0.04316 0.10345 -0.03376 0.10049 0.12827 0.13156 -0.02175 0.09467 -0.02192 0.32368 -0.32809 0.00568 0.02208 0.02319 0.01768 0.03425 0.15111 0.16789 0.16187 -1.50003 2.94391 -0.00230 -0.00298 -0.00143 -0.00963 -0.00142 -0.00023 -0.00034 -0.00006 0.00252 -0.00211 0.00678 0.00017 0.00608 -0.00158 0.00499 0.00067 0.00124 0.00053 -0.00263 0.00054 0.00313 -0.00484 0.00303 0.00384 0.00206 0.00038 0.00090 0.00044 -0.00316 0.00236 -0.00019 -0.00078 0.00019 -0.00104 -0.00013 -0.02191 0.00373 0.00127 -0.00194 -0.00222 -0.00030 -0.00127 0.00030 -0.00168 -0.00021 -0.03504 0.00609 0.00205 -0.00275 -0.00378 0.02957 -0.00802 -0.01671 0.00537 -0.00392 -0.00544 0.03361 -0.02103 0.01052 0.01664 0.00280 -0.01180 -0.00279 -0.00331 0.00047 0.02103 0.01313 0.00200 0.00364 0.00945 -0.03223 -0.00797 0.01448 0.00536 0.00910 -0.00209 0.00742 0.03814 0.01843 0.01708 0.00041 0.00398 -0.00028 0.00509 0.00046 0.08504 -0.01853 -0.00229 -0.00335 0.01320 0.04223 -0.01119 -0.02382 0.00793 -0.00473 -0.01386 0.07069 -0.04670 0.02097 0.04324 0.00371 -0.01766 -0.00374 -0.00566 0.00070 0.04227 0.02274 0.00038 0.01482 0.02261 -0.04541 -0.01098 0.02026 0.00802 0.01154 -0.00460 0.01993 0.08495 0.04091 0.03192 0.00883 0.00318 -0.01048 0.00842 0.00258 0.72569 -0.08304 -0.11670 0.22460 0.02720 0.03634 -0.01282 -0.02377 0.00919 0.00744 0.07333 -0.00315 0.01906 0.02068 -0.04287 0.00389 -0.01666 -0.00662 -0.00414 0.00605 -0.18840 0.07960 0.08957 -0.11450 -0.05887 -0.04330 -0.01301 0.01603 0.00820 0.01842 0.03018 -0.02032 -0.04526 -0.01113 0.01484 0.05359 -0.05525 -0.05918 -0.01650 0.00563 8.99562 -3.13360 -0.71522 5.95596 0.60519 -0.00794 -0.00888 -0.00097 -0.00221 0.01148 0.17285 1.04056 -0.97046 1.05228 0.80286 -0.01317 0.01576 0.01045 0.00104 0.00681 -0.45915 0.76646 -0.32577 -1.26383 0.69864 0.00159 -0.01087 0.00173 -0.00879 0.01469 0.00367 -0.27281 1.94443 0.97324 1.87448 0.00278 0.00289 -0.00271 -0.00165 0.00049 -0.00221 -0.00065 0.00011 0.00561 0.00280 0.00827 0.00276 -0.00425 -0.00132 -0.00331 0.00132 -0.00130 0.00365 -0.00008 0.00416 -0.01348 -0.00323 0.00722 0.00137 0.00771 -0.00100 0.00094 -0.00522 0.00088 0.00107 -0.00478 0.00193 0.00337 -0.00123 0.00159 -0.00349 0.00119 -0.00191 0.00599 -0.00290 0.01499 -0.00408 -0.00827 0.00127 -0.00836 -0.00154 -0.00304 0.00466 0.00331 -0.00321 0.02998 -0.01542 -0.01716 0.00488 -0.01037 0.00172 0.00802 -0.00156 0.00386 0.00116 0.05098 -0.02632 -0.02715 0.00795 -0.02569 0.01082 -0.02650 -0.00031 0.00575 -0.02616 0.03489 -0.01544 -0.01359 0.00606 -0.04166 -0.37782 0.20993 -0.03903 -0.11299 0.13499 0.01879 -0.00617 -0.01056 0.00305 -0.01206 -2.19813 -2.69421 2.39996 -2.37131 -3.26961 -0.00072 0.00120 0.00098 -0.00015 -0.00087 -0.00779 -0.00392 0.00227 0.00112 -0.00542 -0.00112 0.00020 0.00008 -0.00043 0.00096 -0.00300 -0.00527 0.00333 -0.00522 -0.00386 -0.00266 -0.00018 0.00148 0.00025 0.00075 -0.00040 -0.00101 0.00289 0.00301 0.00418 0.02352 0.01429 -0.01082 -0.00777 -0.00920 0.00069 -0.00841 -0.00747 -0.00049 0.00086 0.04019 0.02531 -0.02094 -0.01358 -0.01400 0.00862 0.00229 0.00586 0.02921 0.00733 0.01579 0.01943 -0.00622 -0.00959 -0.00374 -0.36890 -0.08561 -0.11458 -0.26427 0.06823 0.00008 -0.00257 0.00725 -0.00903 0.00320 -2.24334 2.02987 3.83081 1.65536 4.11485 0.00305 -0.00005 -0.00176 -0.00003 -0.00057 0.00163 -0.00035 -0.00573 -0.00112 -0.00169 0.00070 -0.00082 -0.00029 -0.00027 -0.00096 0.00162 0.00339 0.00205 -0.00205 0.00333 -0.00008 0.00088 0.00043 -0.00044 -0.00025 0.00727 -0.00544 -0.00458 -0.00591 -0.00562 -0.05232 -0.00275 0.02723 0.00045 0.01883 0.00106 -0.00038 0.00535 0.00321 -0.00155 -0.09118 -0.00481 0.04979 0.00013 0.03800 0.00984 -0.00913 0.00305 0.01308 0.01093 -0.07852 0.00252 0.05134 0.00457 0.04192 -0.34145 0.21412 -0.04640 -0.13512 -0.21041 -0.02841 -0.00021 0.01651 0.00628 0.00507 -2.06469 2.44335 -4.42211 -1.19695 -1.65951 -0.00174 -0.00076 0.00076 0.00030 0.00057 0.00559 -0.00270 0.00728 0.00250 0.00568 0.00109 -0.00074 -0.00061 -0.00016 -0.00005 0.00017 0.00298 -0.00491 -0.00394 0.00186 0.00205 -0.00029 -0.00144 0.00035 -0.00014 -0.00677 0.00429 -0.00620 0.00258 0.00062 -0.08198 -0.01320 -0.08736 0.07956 -0.08113 0.00008 0.00127 0.00007 -0.00496 0.00419 -0.12839 -0.01972 -0.13419 0.12568 -0.13143 0.00259 -0.01274 0.00846 -0.04742 0.05051 -0.10908 -0.02337 -0.11246 0.11057 -0.13464 -0.02527 0.12102 -0.06758 0.32104 -0.30337 -0.00069 0.02431 -0.02338 0.01322 -0.04685 0.04001 -0.55808 1.20183 -1.64687 1.42328 -0.00227 -0.00503 -0.00263 0.00227 -0.00145 0.00039 0.00068 0.00033 -0.00257 0.00176 -0.00728 0.00054 -0.00651 -0.00108 -0.00530 0.00078 0.00113 0.00074 -0.00341 0.00109 0.00217 -0.00248 0.00176 -0.00988 0.00133 -0.00025 0.00021 -0.00114 0.00254 -0.00096 0.00162 -0.07602 0.00405 -0.15001 0.00250 0.00181 0.01041 0.00364 -0.00342 -0.01624 0.00241 -0.11515 0.00655 -0.23677 0.00415 0.00260 0.01633 0.01076 -0.02806 -0.00720 0.00208 -0.11880 0.00618 -0.23202 0.00355 0.01031 0.06141 -0.10168 0.18139 -0.22616 -0.00291 0.01683 0.00202 0.00290 -0.00198 0.02910 0.71735 0.24816 -1.44374 0.18220 0.00392 0.00083 0.00347 0.00968 0.00270 0.00014 -0.00116 0.00053 0.00177 -0.00013 0.00052 0.00638 0.00063 0.00187 0.00027 -0.00004 -0.00233 -0.00123 0.00129 0.00135 -0.00476 0.00176 -0.00477 0.00800 -0.00339 0.00011 -0.00080 -0.00084 0.00164 0.00176 -0.00038 -0.02147 -0.00089 0.00023 0.00003 -0.00009 -0.00457 -0.00166 -0.00609 -0.00050 -0.00059 -0.03500 -0.00147 0.00053 0.00006 -0.00016 -0.00785 -0.00277 -0.00981 -0.00127 -0.00614 0.03882 -0.06324 -0.00723 0.07410 0.00792 -0.01343 0.01535 -0.00781 -0.00965 -0.00223 -0.06241 -0.01110 0.00107 0.00981 0.00553 0.00448 0.00465 0.00346 0.00157 0.00783 0.02230 0.07385 -0.00248 -0.08248 0.00809 0.00517 -0.02168 -0.01017 0.00923 0.00128 0.11332 0.00529 -0.00364 -0.00014 0.00591 0.03186 0.00879 0.01694 0.01372 -0.01132 0.06204 -0.10130 -0.01190 0.12159 0.01309 -0.02149 0.03236 -0.01518 -0.01724 -0.00361 -0.09439 -0.01734 0.00104 0.01556 0.00423 0.02156 0.01286 0.00793 -0.00175 0.01474 0.03632 0.11819 -0.00439 -0.13590 0.01271 0.01456 -0.03356 -0.01627 0.01239 0.00813 0.19032 0.00719 -0.01079 -0.00656 -0.11071 0.02755 0.11652 0.14212 0.03022 0.00461 0.07799 -0.10184 -0.02050 0.11280 -0.08640 -0.04447 0.09014 -0.09646 0.02809 0.00125 -0.03443 -0.01568 -0.00767 0.01560 0.08277 -0.10351 0.00808 -0.06199 0.12468 -0.00362 0.05745 0.12377 -0.01252 -0.12596 -0.06687 -0.02635 -0.00573 -0.11800 0.09507 -0.01196 0.15648 0.02999 -0.00879 0.00494 0.05662 1.27938 1.74297 -4.34928 -2.47396 0.01752 0.03231 -0.01496 -0.00342 0.00689 0.09209 0.02634 1.07977 -1.43212 -0.40016 -0.01408 0.02583 0.00922 0.00036 0.01293 0.22561 -0.05966 -1.05843 -1.31134 0.32796 -0.01298 0.03146 0.02348 -0.00187 -0.01478 0.09062 0.35374 0.66953 -1.32573 -0.01637 0.00262 0.00565 0.00908 -0.00337 -0.00556 0.00028 -0.00068 0.00002 0.00461 -0.00481 -0.00262 0.00910 0.00449 -0.00611 0.00060 0.00331 -0.00549 -0.00021 -0.00526 0.00220 0.02223 -0.01034 -0.02120 0.00212 -0.00846 0.00053 -0.00173 -0.00032 -0.00473 0.00311 0.00378 0.01542 -0.00889 -0.00853 0.00181 0.00057 0.00021 -0.00178 0.00777 -0.00524 -0.02044 -0.00956 0.01656 0.00213 0.00860 0.00036 -0.00163 0.00118 -0.00150 0.00637 0.00017 -0.00127 -0.00018 0.00148 -0.00019 -0.00502 0.00493 0.00172 0.01071 -0.00011 0.00028 -0.00209 -0.00030 0.00247 -0.00031 -0.00846 0.00844 0.00290 0.01796 -0.00011 0.00475 0.00168 0.04056 -0.00847 -0.03910 0.00183 0.00200 -0.01278 -0.00696 0.00465 -0.00123 0.01076 0.00628 0.00564 -0.00402 0.00627 -0.00532 -0.00592 -0.00132 -0.00643 -0.00561 0.00632 -0.04425 -0.00944 0.04441 0.00110 -0.00667 0.01504 -0.00037 0.00124 -0.00099 0.00715 0.00102 -0.00861 0.00115 0.03003 -0.03296 -0.01047 -0.06116 -0.00156 0.00668 0.00149 0.05816 -0.01192 -0.05602 0.00258 0.00329 -0.02143 -0.00453 0.00634 -0.00197 0.01514 0.00910 0.00831 -0.00561 0.00887 -0.01031 -0.01035 -0.00276 -0.00793 -0.00811 0.00824 -0.06348 -0.01331 0.06375 -0.00026 -0.00969 0.02175 0.00426 0.00163 -0.00157 0.01202 0.00163 -0.01015 0.00129 0.03401 -0.01338 -0.01152 -0.11888 0.02285 0.00707 0.00323 0.05869 -0.01167 -0.05827 0.00499 -0.00040 -0.00452 -0.05830 0.01344 -0.00123 0.01521 0.00877 0.00772 -0.00652 0.00957 0.00485 -0.00175 0.00147 -0.01871 -0.00788 0.00972 -0.06400 -0.01319 0.06571 0.01158 -0.01130 0.02580 -0.04169 0.00631 0.00226 0.03991 0.00331 -0.02200 0.00001 -0.09313 -0.25259 0.07615 -0.12936 -0.02850 -0.00387 0.00698 0.02819 -0.00718 -0.02395 -0.04369 -0.04413 -0.07988 0.16195 -0.02936 -0.00112 0.00584 0.00434 0.00486 -0.00261 -0.02446 -0.06849 -0.04336 -0.01640 0.06744 0.00355 0.00909 -0.02909 -0.00749 0.02904 -0.07518 -0.06062 -0.00793 0.14197 -0.04184 0.00013 0.00003 0.00144 -0.00005 -0.00217 0.00000 0.00068 -0.00055 0.00024 0.00053 -0.00005 -0.00051 0.00023 0.00005 -0.00028 0.00009 0.00038 0.00039 -0.00079 0.00098 0.00035 -0.00085 -0.00066 0.00007 0.00009 0.00046 -0.00024 -0.00018 -0.00008 -0.00085 -0.00003 0.00025 -0.00091 -0.00020 0.00129 0.00002 0.00028 0.00041 0.00004 -0.00029 -0.00045 -0.00082 0.00035 0.00004 0.00026 0.00026 0.00012 -0.00004 0.00022 -0.00042 1 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 2 H 1S 2S 3S 4S 5PX 5PY 5PZ 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 7 H 1S 2S 3S 4S 5PX 5PY 5PZ 8 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 15 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 1 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|2 H 1S|2S|3S|4S|5PX|5PY|5PZ|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|7 H 1S|2S|3S|4S|5PX|5PY|5PZ|8 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|15 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 1.10439 0.88470 0.19638 0.24113 0.20130 0.74798 0.47383 0.52431 0.48241 0.45569 0.26303 0.20750 0.29227 0.11969 0.03207 0.03141 0.02957 0.00996 0.01190 0.01834 0.01444 0.01769 0.27121 0.48897 0.06849 -0.02918 0.00880 0.00748 0.00975 1.10471 0.88464 0.19102 0.23687 0.18053 0.76969 0.46973 0.53487 0.44979 0.50184 0.22806 0.16140 0.24206 0.07102 -0.02160 -0.03410 -0.00441 0.01412 0.01468 0.01609 0.02124 0.01682 1.09525 0.89614 0.27669 0.24519 0.28074 0.84516 0.62976 0.57013 0.63627 0.61567 0.44262 0.28481 0.46072 -0.19080 -0.04920 -0.02634 -0.05707 0.00831 0.00360 0.00926 0.00849 0.01015 1.09562 0.89570 0.23299 0.29616 0.23625 0.88130 0.54192 0.64528 0.54774 0.80093 0.34880 0.36722 0.38555 -0.02277 -0.02120 -0.00738 -0.01247 0.00575 0.00345 0.00919 0.00703 0.01068 1.13177 0.85545 0.16505 0.16665 0.16604 0.58899 0.36929 0.37305 0.37096 0.29996 0.19280 0.19914 0.21172 0.02820 0.00521 0.02093 0.00985 0.00338 0.01728 0.01860 0.00378 0.01973 0.25687 0.54422 0.33008 0.02117 0.00386 0.00383 0.00429 1.10432 0.88501 0.22515 0.18665 0.22677 0.73563 0.53484 0.46571 0.53685 0.47520 0.32594 0.16494 0.33369 0.11697 0.00081 -0.01691 0.01335 0.01181 0.00974 0.01054 0.01275 0.01836 0.27183 0.48198 0.05645 0.00034 0.00993 0.00667 0.00519 0.27164 0.48068 0.05874 0.00243 0.00637 0.00343 0.01220 0.27194 0.48488 0.04373 -0.01307 0.00892 0.00399 0.00851 0.25667 0.54423 0.32994 0.02166 0.00347 0.00450 0.00399 0.25754 0.54554 0.35689 0.00650 0.00428 0.00331 0.00419 1.10455 0.88496 0.19055 0.23247 0.19143 0.75347 0.47118 0.50812 0.47546 0.27641 0.08998 0.08305 0.14580 0.00949 0.04181 0.03384 0.05237 0.02909 0.03282 0.04125 0.04284 0.04275 1.07787 0.91682 0.36724 0.42832 0.37867 1.08482 0.74676 0.84212 0.76425 0.89285 0.52032 0.63141 0.54184 -0.02590 0.00735 0.02049 0.00835 0.00099 0.00218 0.00042 0.00100 0.00051 -17.2076 6.1679 -5.2443 19.0170 -122.8935 -46.1025 -66.0091 18.0043 -24.7513 4.6906 -44.5585 32.2326 12.3259 18.0043 -24.7513 4.6906 -681.7651 -117.1934 -74.6822 -122.2575 6.5962 -121.0035 -176.3244 -44.6174 -21.5038 18.0935 -3675.7958 -915.2673 -463.1312 -10.1002 -742.9418 -143.8374 56.6364 -396.4205 66.1972 -580.8282 -662.9151 -246.4114 92.1927 -109.5347 -43.5537 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 105.86560320000001 AuxInfo=1/0/N:8,1,3,14,6,15,5,4/CRV:2.3,3.3,4.3,5.4,7.2/rA:15nC3HC3NN2B4HCHHHHHC3F/rB:s1;s1;s1;s3;s3;s6;s4;s8;s8;s8;s6;s6;s4s5;s14;/rC:2.9485,1.744,.886;3.4934,2.4448,1.4997;3.0291,.38,.7832;1.9673,2.1905,-.0051;2.0797,-.0275,-.1833;3.9981,-.6366,1.5709;4.6961,-1.2698,.7731;1.5018,3.5427,-.2023;2.3527,4.209,-.3595;.8622,3.5795,-1.0836;.9311,3.8912,.6631;3.3349,-1.4421,2.2315;4.7291,.007,2.3328;1.5173,1.0595,-.5773;.5464,1.1378,-1.4977; 0.000000 1.079177 0.000000 1.370209 2.234316 0.000000 1.398650 2.158225 2.242059 0.000000 2.244155 3.308008 1.414752 2.227983 0.000000 2.690366 3.123297 1.610265 3.821090 2.669910 0.000000 3.485640 3.971478 2.345367 4.474970 3.050111 1.234759 0.000000 2.551937 2.840465 3.647733 1.443518 3.616625 5.180909 5.857798 0.000000 2.825312 2.805357 4.052663 2.085199 4.248856 5.469320 6.065531 1.092056 0.000000 3.406051 3.857994 4.291530 2.076936 3.911923 5.886937 6.454560 1.089589 1.772606 0.000000 2.954649 3.058951 4.091980 2.100598 4.170313 5.543615 6.389263 1.093691 1.779767 1.775614 0.000000 3.480025 3.958355 2.347543 4.479783 3.067165 1.234926 2.002404 5.842151 6.293812 6.505386 6.056538 0.000000 2.877664 2.857271 2.330316 4.226253 3.653927 1.236580 2.015979 5.416902 5.527422 6.275966 5.683285 2.013484 0.000000 2.158237 3.183964 2.144305 1.345048 1.285664 3.693990 4.165697 2.511370 3.265638 2.652567 3.146559 4.177342 4.460017 0.000000 3.438028 4.402021 3.455578 2.314164 2.331689 4.947681 5.307803 2.893870 3.740378 2.496644 3.521157 5.323379 5.783352 1.340220 0.000000 3.9346162 1.6670797 1.1909923 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 6 1 6 7 7 5 1 6 1 1 1 1 1 6 9 -0.001576181 -0.001564651 -0.002877296 -0.000100059 0.000558248 -0.001197388 -0.003073911 0.000473892 -0.000252948 -0.011659201 0.001750815 -0.009580655 -0.011699187 0.008025651 -0.009899941 0.000337793 -0.001299753 0.000350514 -0.000454386 0.000517306 0.000165269 -0.002263075 0.003563757 -0.000364865 -0.000096354 -0.000634647 -0.000512283 -0.000061746 0.000970754 0.000818002 0.000531790 -0.000937492 -0.000504673 0.000149712 0.000657519 -0.000520341 -0.000567863 0.000286321 -0.000520836 0.020355223 -0.021448688 0.015585388 0.010177447 0.009080967 0.009312055 0.021448688 0.006617017 7 -390.886194869 PT65148.600S 2021-03-13T20:05:44.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 C H C N N B H C H H H H H C F -0.359969 0.174479 -0.049069 0.004448 -0.247732 -0.217854 -0.164317 -0.378130 0.167616 0.164514 0.191113 -0.164461 -0.178245 0.266289 -0.208682 -1.00000 -10.22631 -10.20417 -6.66888 -1.30230 -1.06230 -0.93274 -0.78436 -0.75710 -0.63785 -0.63292 -0.57500 -0.54433 -0.50699 -0.49803 -0.49576 -0.47245 -0.44791 -0.42927 -0.41775 -0.31761 -0.30130 -0.28092 -0.27301 -0.26694 -0.21319 0.07384 0.10188 0.10436 0.11375 0.12607 0.13387 0.14111 0.14516 0.15562 0.16163 0.16674 0.17139 0.17561 0.17974 0.19505 0.19904 0.20353 0.20945 0.21789 0.22072 0.22388 0.24275 0.24604 0.25186 0.26028 0.27207 0.27295 0.28645 0.29899 0.30245 0.31211 0.32144 0.32535 0.34769 0.35185 0.35986 0.36351 0.37016 0.37975 0.38342 0.39400 0.39862 0.41439 0.41821 0.43326 0.43696 0.44861 0.46529 0.47720 0.48886 0.51748 0.51889 0.52317 0.56051 0.57553 0.58134 0.59081 0.60981 0.63556 0.65991 0.68774 0.72452 0.72678 0.73343 0.75415 0.75846 0.76852 0.78131 0.79119 0.80466 0.81079 0.82437 0.85938 0.87605 0.89174 0.90410 0.95532 0.98297 0.98765 0.99971 1.02709 1.05354 1.06024 1.06381 1.10862 1.13435 1.15296 1.16808 1.21329 1.23801 1.28359 1.29360 1.33683 1.35952 1.36747 1.41946 1.43050 1.48282 1.51110 1.51625 1.52216 1.55167 1.55656 1.57766 1.59440 1.60860 1.61926 1.67122 1.68005 1.71625 1.72367 1.76126 1.78603 1.80675 1.84460 1.86419 1.87165 1.87462 1.94374 1.96924 2.00873 2.02493 2.05045 2.08844 2.14066 2.17222 2.19794 2.20405 2.25915 2.26758 2.28682 2.30639 2.33570 2.36019 2.36338 2.37255 2.42023 2.55630 2.57185 2.58979 2.60335 2.64164 2.66171 2.72572 2.73858 2.75779 2.78313 2.80672 2.83673 2.83943 2.88438 2.90398 2.91574 2.96030 2.99184 3.04465 3.05792 3.09848 3.11080 3.15003 3.18158 3.18598 3.20286 3.31452 3.43670 3.57433 3.70552 3.76620 3.85789 3.87805 3.91098 3.92503 3.94771 3.98650 4.09107 4.11250 4.16000 4.19513 4.24729 4.64799 4.81027 5.06702 5.19981 5.41685 6.45815 6.58070 6.92443 14.93936 23.95409 24.04055 24.11406 24.35434 35.69203 35.91361 66.98828 26 27 28 29 30 31 32 33 34 35 O|O|O|O|O|V|V|V|V|V -0.30130 -0.28092 -0.27301 -0.26694 -0.21319 0.07384 0.10188 0.10436 0.11375 0.12607 -0.00016 -0.02067 0.00035 -0.01346 0.00011 -0.00511 0.00799 0.00038 0.00564 0.00282 -0.00025 -0.03352 0.00056 -0.02146 0.00017 -0.00832 0.01260 0.00053 0.00910 0.00470 -0.01261 0.00590 0.06492 0.01123 -0.10592 0.00559 -0.01487 -0.00796 -0.00839 -0.00562 -0.00124 -0.07866 0.00902 -0.03832 -0.01446 0.00949 -0.01658 -0.00040 0.00067 -0.01865 0.01024 -0.00380 -0.06652 0.00364 0.11071 0.00548 -0.01850 0.00898 -0.00795 -0.00338 0.00091 0.09855 -0.00152 0.06152 -0.00089 0.02816 -0.02873 0.00247 -0.02517 -0.01821 -0.02075 0.00647 0.10444 0.01727 -0.16672 0.01026 -0.03017 -0.01167 -0.00200 0.00057 -0.00230 -0.10987 0.01433 -0.05091 -0.02236 0.00243 -0.01118 0.00010 0.00146 -0.02477 0.01769 -0.00678 -0.10736 0.00648 0.17360 0.00904 -0.02931 0.00485 -0.00404 -0.00172 -0.00536 0.15375 -0.00125 0.11641 0.00999 0.00677 -0.23324 -0.11547 -0.38685 0.12293 -0.00293 0.00685 0.09216 -0.00186 -0.19515 0.04170 0.05827 0.01456 0.07933 -0.08751 0.00101 -0.10205 0.01276 -0.04927 -0.02875 0.08587 -0.15032 0.01252 0.09137 -0.14592 0.00425 -0.00625 -0.09474 -0.01129 0.19778 0.05007 0.01506 0.12248 0.10004 -0.06022 0.04554 0.19619 -0.02757 -0.40755 0.01532 -1.26783 -0.84655 -8.90089 -2.40041 26.71571 0.00023 0.00861 0.02839 -0.01062 -0.04492 0.69596 -1.27217 0.39858 -0.02190 -1.93828 -0.02362 -0.07348 0.01907 0.13471 -0.00930 1.07239 -3.26481 3.17175 -2.03126 -10.56867 0.00372 -0.00246 -0.03050 0.00799 0.04997 0.74213 -1.45249 0.54884 -0.52044 -3.37035 -0.01108 0.00011 0.00737 0.00016 0.00036 0.00026 0.00061 0.00190 -0.00014 0.00196 -0.00167 -0.00240 0.00039 -0.00339 0.00146 0.00134 -0.00064 -0.00269 -0.00503 0.00567 0.01139 0.00796 -0.00173 0.00213 -0.01110 -0.00031 0.00193 0.00356 0.00380 0.00514 0.00973 -0.00194 -0.00461 -0.00121 -0.00325 0.00074 0.00060 -0.00005 -0.00117 0.00056 -0.00990 0.00821 0.00072 0.00270 0.01002 -0.00037 0.00336 -0.00416 0.00391 0.00099 -0.00116 -0.01597 0.00032 -0.00119 -0.00032 0.00622 -0.00428 -0.00134 -0.00203 0.00324 -0.00211 -0.02950 0.00027 -0.00244 -0.00001 0.03140 -0.04758 0.00322 -0.05881 -0.03087 -0.00095 -0.00370 -0.00008 -0.00315 -0.00041 -0.30657 0.53972 -0.16550 0.26602 0.65880 0.00375 -0.00443 -0.00221 -0.02743 -0.00563 -1.27889 5.51287 -0.63880 1.76297 7.03590 -0.00120 0.00399 0.00604 0.00029 -0.00963 -0.00194 0.00417 -0.00406 0.00280 0.00312 0.00002 -0.00155 0.00073 -0.00100 -0.00136 -0.00394 0.00893 -0.00033 0.00433 0.00416 0.00108 0.00369 -0.00618 -0.00004 0.01009 -0.00234 0.00459 0.00312 0.00330 0.00622 -0.00044 0.03308 0.00012 0.00198 -0.00010 0.00217 -0.00028 0.00033 -0.00199 -0.00156 -0.00071 0.05353 0.00019 0.00326 -0.00017 0.00341 -0.00079 0.00047 -0.00389 -0.00230 0.06597 -0.05389 0.01655 0.00080 -0.08656 0.00324 -0.00028 0.02242 -0.00358 0.00917 0.00649 0.12272 0.00268 0.03669 -0.01193 -0.00446 0.00002 0.00213 -0.00555 0.00655 -0.06157 -0.03540 -0.01911 0.00604 0.08973 0.00344 0.00465 -0.02359 -0.00505 -0.00667 0.00183 -0.14723 -0.00055 -0.01034 0.00063 -0.00525 0.01003 0.00080 0.02655 0.00109 0.10623 -0.07306 0.02779 0.00337 -0.13824 0.00435 0.00122 0.04194 -0.00770 0.01867 0.01097 0.17867 0.00432 0.05476 -0.01921 0.00339 0.00494 0.00568 -0.01815 0.01581 -0.09957 -0.04644 -0.03192 0.01108 0.14327 0.00596 0.01180 -0.04070 -0.01222 -0.01166 0.00487 -0.26095 -0.00045 -0.01577 -0.00493 0.00392 -0.17831 -0.01900 -0.13022 0.08553 0.08509 -0.06259 0.01523 -0.01185 -0.11915 0.02975 -0.04075 0.02015 -0.15799 0.05299 0.00899 0.09318 0.00392 -0.00250 -0.01929 -0.04668 -0.02561 0.04128 0.24772 -0.15707 -0.08231 -0.04743 -0.01796 -0.01081 0.12703 0.02508 -0.03542 -0.05133 -0.11902 0.01292 -0.07060 -0.29006 0.03697 0.48701 -0.00541 2.44323 -2.82974 9.23830 -5.56722 -21.95224 0.01211 -0.02934 -0.03142 0.00417 -0.03054 -0.21177 -0.39506 -0.68754 -2.12447 2.08869 -0.02169 -0.01243 0.00715 0.15310 -0.00163 -0.00994 -1.01292 3.02226 3.22634 -12.06331 -0.00542 -0.02886 0.03075 0.02446 0.02393 -0.14469 -0.61109 -0.53384 -1.43379 0.28170 0.00899 -0.00561 -0.01905 -0.01050 -0.00602 -0.00018 -0.00140 0.00389 0.00167 -0.00178 -0.00099 -0.00716 0.00027 -0.01411 -0.00282 0.00129 -0.00568 -0.00150 -0.00518 -0.00053 0.00491 0.01231 -0.00429 -0.00114 0.01915 -0.00058 -0.00261 0.00076 0.00010 0.00033 -0.00441 -0.01355 0.00998 -0.01784 0.00860 0.00025 -0.00127 -0.00181 0.00207 -0.00475 -0.00600 0.01023 0.00722 -0.00413 -0.01706 -0.00041 -0.00220 -0.00198 0.00187 -0.00119 0.00052 -0.00215 -0.00048 0.00235 -0.00049 0.00111 0.00067 0.00049 0.00900 -0.00445 0.00085 -0.00344 -0.00078 0.00384 -0.00081 0.00197 0.00103 0.00082 0.01525 -0.00758 -0.10588 -0.02840 0.05591 -0.01296 0.05469 0.00300 0.00226 0.01745 0.00885 0.00611 -0.01956 -0.01805 0.00973 0.00168 0.00911 -0.01483 -0.00993 0.00269 -0.00227 -0.00370 0.11317 -0.02836 -0.05890 -0.01586 -0.05780 0.00040 0.00307 -0.01769 0.00858 -0.00528 -0.00241 0.00880 0.00218 -0.01131 0.00241 -0.00816 -0.00320 -0.00362 -0.06084 0.03193 -0.16283 -0.04035 0.08573 -0.01800 0.08437 0.00075 0.00640 0.02406 0.01064 0.00685 -0.02959 -0.02569 0.01450 0.00272 0.01386 -0.02022 -0.01186 0.00578 -0.00514 -0.00707 0.17385 -0.04018 -0.09026 -0.02251 -0.08862 -0.00164 0.00839 -0.02508 0.01121 -0.01165 -0.00260 0.04047 0.00427 -0.02456 0.00321 -0.01981 -0.01038 0.02274 0.03054 -0.05187 -0.17266 -0.05220 0.09633 -0.02611 0.09292 0.06361 0.01475 0.07461 0.08225 0.04306 -0.03550 -0.04402 0.02076 -0.00166 0.01742 -0.14060 -0.08796 -0.04135 -0.04345 0.05548 0.18788 -0.05364 -0.10255 -0.03182 -0.10533 0.03290 0.00349 -0.04741 0.06868 0.02559 -0.00302 0.04406 0.00650 0.01114 0.00073 -2.03233 -0.41399 0.95153 -0.71085 -1.88236 -0.03859 -0.01917 0.02842 -0.00513 0.03689 0.45999 0.93841 0.15424 0.13087 -0.21073 -0.01512 -0.01451 0.00906 -0.01192 0.01013 -1.54074 -0.07406 -0.45067 -0.74846 0.69175 0.04983 -0.01995 -0.03277 -0.00784 -0.04999 0.22515 0.87925 0.32342 0.02024 -0.31165 -0.00056 0.00067 -0.01013 -0.00079 0.01781 -0.00146 -0.00087 0.00078 0.00039 -0.00050 0.00042 0.00096 -0.00020 -0.00069 0.00032 0.00225 -0.00072 0.00082 -0.00099 -0.00014 -0.00338 -0.00316 -0.00118 -0.00173 0.00211 0.00080 -0.00280 -0.00472 0.00127 -0.00017 -0.00045 0.00227 0.00544 -0.00041 -0.00953 -0.00237 -0.00009 -0.00184 -0.00022 -0.00234 0.00332 -0.00266 0.00250 -0.00189 -0.00433 -0.00053 -0.00343 0.00441 0.00105 -0.00024 -0.00049 -0.03636 0.00005 0.00171 0.00009 -0.00281 0.00062 0.00062 0.01158 -0.00520 -0.00080 -0.05885 0.00008 0.00272 0.00014 -0.00437 0.00109 0.00109 0.01887 -0.00853 0.07524 -0.00076 -0.10302 -0.03008 0.00004 -0.00172 -0.00786 0.01052 0.00511 -0.00618 0.00542 -0.15301 -0.01283 -0.02464 0.00098 -0.00382 -0.00300 0.00244 0.00740 -0.01580 -0.08386 -0.02231 0.10942 -0.02754 0.00041 -0.00032 -0.00735 -0.01012 0.00759 -0.00686 0.00199 0.16532 -0.00008 -0.01001 -0.00041 0.00799 -0.00648 -0.00564 -0.05460 0.02576 0.11559 -0.00163 -0.15800 -0.04270 0.00069 -0.00289 -0.01522 0.01740 0.01339 -0.01177 0.00862 -0.22088 -0.01976 -0.03655 0.00150 -0.00399 -0.00778 0.00338 0.01635 -0.02090 -0.12855 -0.03278 0.16760 -0.03871 -0.00009 -0.00073 -0.01185 -0.01987 0.01591 -0.01407 0.00641 0.30332 -0.00261 -0.01501 -0.00023 0.12527 0.03870 0.01780 -0.18566 0.06914 0.10650 -0.01713 -0.14490 -0.04412 -0.00611 -0.00745 0.00272 0.02261 -0.01616 -0.00362 0.00946 -0.16579 -0.01923 -0.03219 0.00084 0.02462 0.02091 0.01714 -0.05336 -0.03755 -0.11838 -0.04043 0.15411 -0.04025 0.00798 -0.00023 -0.00607 0.00223 -0.01212 -0.00146 0.00422 0.19555 -0.00386 -0.03887 0.00438 -0.32010 0.43030 -0.14419 0.19099 -0.28582 0.01048 0.00108 -0.01402 -0.02065 0.00509 -0.18565 -0.48987 0.03480 0.96010 -0.98157 0.00438 -0.01531 -0.00482 -0.01982 0.00155 -0.02831 0.11539 -0.21409 -0.19543 0.84472 -0.01044 -0.00151 0.01440 -0.02184 -0.00308 -0.19437 -0.35317 -0.19999 0.83384 -0.88625 -0.00806 0.00632 -0.00222 0.00027 0.01232 -0.00054 0.00075 -0.00472 0.00077 -0.00102 0.00054 -0.00337 -0.00193 -0.00040 0.00099 0.00016 0.00081 -0.00016 -0.00154 0.00213 -0.00689 0.00378 0.01341 -0.00102 -0.00353 -0.00001 0.00017 0.00109 0.00026 -0.00005 0.00324 0.00917 0.00467 0.00079 -0.00784 -0.00123 0.00013 0.00266 0.00113 0.00193 0.00694 0.00726 -0.01207 -0.00138 0.00143 -0.00025 0.00046 0.00004 0.00071 -0.00040 0.00023 0.00256 -0.00004 0.00011 -0.00003 -0.00214 0.00511 0.00106 0.01273 -0.00333 0.00036 0.00374 -0.00006 0.00018 -0.00005 -0.00331 0.00852 0.00165 0.02142 -0.00583 0.06717 0.08555 0.07301 -0.05397 0.05472 -0.00018 -0.01079 0.00393 -0.00626 -0.00484 0.01201 -0.05151 0.01187 -0.13537 0.00780 0.00122 -0.00112 0.00130 0.00943 -0.01984 -0.07578 0.07431 -0.07299 -0.07195 -0.05676 -0.00006 -0.00967 -0.00461 -0.00473 -0.01246 -0.00086 -0.01467 0.00016 -0.00080 -0.00004 0.00912 -0.03993 -0.00794 -0.11063 0.04361 0.08986 0.11804 0.09672 -0.06853 0.07269 0.00447 -0.01852 0.00091 -0.02334 -0.01588 0.01622 -0.06853 0.01568 -0.17838 0.01023 0.00248 -0.00275 0.00853 0.01124 -0.04808 -0.10112 0.10281 -0.09684 -0.09240 -0.07532 0.00502 -0.01816 -0.00259 -0.01966 -0.02492 -0.00141 0.01426 0.00090 -0.00446 -0.00083 -0.05597 0.17740 0.06783 0.79733 -0.43058 0.04894 0.05880 0.07711 -0.04369 0.06269 0.01028 -0.09852 -0.02176 -0.22546 0.20677 0.00844 -0.03014 0.01236 -0.12637 0.00906 -0.03726 0.10764 -0.01776 0.32939 -0.02060 -0.05488 0.05177 -0.07896 -0.06122 -0.06390 -0.00094 -0.06860 -0.07774 -0.17898 0.14966 0.00721 0.12089 -0.00206 -0.02649 0.00431 -0.42374 1.79032 2.07287 9.52953 -12.18431 0.01114 -0.00486 0.00893 -0.01836 0.00634 0.07962 0.27646 -0.85158 -0.77385 1.66418 0.00346 0.00775 0.00057 -0.02923 0.00095 0.04410 0.07605 -0.19139 0.48764 0.38251 -0.00721 -0.00317 -0.01086 -0.02141 -0.00821 0.09690 0.13604 0.35432 -0.61563 2.25967 0.00729 0.00108 0.00389 -0.00023 -0.00362 0.00014 -0.00171 0.00424 -0.00041 0.00105 0.00037 -0.00871 -0.00033 -0.02295 -0.00219 0.00148 0.00013 0.00007 0.00458 -0.00239 0.00436 0.01524 0.00883 -0.00787 0.01730 0.00146 -0.00388 -0.00183 -0.00755 0.00116 -0.00330 -0.00329 -0.00019 -0.00171 0.00626 0.00013 -0.00107 -0.00145 0.00191 -0.00356 -0.00588 0.01685 -0.00797 -0.00668 -0.01513 0.00114 -0.00507 -0.00098 -0.00796 -0.00011 0.07711 0.02669 0.08297 0.08846 0.07861 0.00019 -0.00030 -0.00072 -0.00560 0.00772 0.12107 0.04040 0.12704 0.13939 0.12728 0.00190 0.00230 -0.01404 -0.04673 0.05072 0.10164 0.04153 0.10610 0.12245 0.13279 -0.02513 -0.03425 0.01633 0.31678 -0.35333 0.00188 -0.01431 0.02272 0.01755 0.03838 0.11465 -0.54270 0.30129 -1.34347 2.85511 -0.00252 0.00236 -0.00165 -0.00984 -0.00154 -0.00030 0.00062 -0.00029 0.00249 -0.00217 0.00666 -0.00070 0.00619 -0.00181 0.00491 0.00064 -0.00135 0.00002 -0.00270 0.00046 0.00292 0.00559 0.00342 0.00321 0.00216 0.00046 -0.00104 -0.00002 -0.00316 0.00219 -0.00006 -0.00008 0.00016 -0.00106 0.00026 -0.02187 -0.00354 0.00054 -0.00215 -0.00246 -0.00008 -0.00013 0.00025 -0.00172 0.00044 -0.03498 -0.00574 0.00090 -0.00310 -0.00413 0.03048 0.00869 -0.01623 0.00513 -0.00494 -0.00494 -0.02241 0.03024 0.01435 0.01672 0.00567 0.00729 -0.00254 -0.00393 0.00041 0.02064 -0.01303 0.00524 0.00470 0.00965 -0.03239 0.00848 0.01617 0.00508 0.00634 -0.00096 -0.01920 -0.03443 0.01665 0.01438 -0.00041 0.00054 -0.00006 0.00525 -0.00134 0.08535 0.01272 -0.00573 -0.00135 0.01543 0.04311 0.01239 -0.02303 0.00774 -0.00609 -0.01238 -0.05040 0.07034 0.03003 0.03923 0.00794 0.01018 -0.00335 -0.00655 0.00098 0.04281 -0.02252 0.01381 0.01553 0.01941 -0.04576 0.01194 0.02279 0.00762 0.00778 -0.00272 -0.04376 -0.07644 0.03569 0.02391 0.00855 0.00414 -0.01019 0.00843 -0.00374 0.71063 0.17228 0.05478 0.20864 -0.00184 0.03861 0.01416 -0.02436 0.00839 0.00650 0.07087 0.02888 -0.03203 0.00163 -0.03116 0.00522 0.00961 -0.00311 -0.00532 0.00649 -0.18965 -0.11767 -0.04885 -0.08976 -0.01345 -0.04275 0.01361 0.02088 0.00776 0.00713 0.01845 0.01932 0.03577 -0.01751 0.01879 0.04008 0.04517 -0.03841 -0.02281 -0.00113 9.07174 3.23056 -0.50072 6.18605 1.28333 -0.00530 0.00870 -0.00040 -0.00654 0.00823 0.17035 -0.67685 0.89953 1.26574 1.44264 -0.01117 -0.01131 0.00753 0.00198 0.00471 -0.49163 -0.49799 0.43541 -1.35902 0.65836 0.00587 0.00836 -0.00003 -0.01025 0.00414 -0.00408 -0.71354 -1.81743 1.09966 2.07261 -0.00144 -0.00203 -0.00054 -0.00105 0.00226 -0.00224 0.00051 0.00069 0.00513 0.00126 0.00663 -0.00384 -0.00352 -0.00169 -0.00288 0.00143 -0.00018 -0.00294 0.00067 0.00696 -0.01458 0.00278 0.00775 0.00128 0.00807 -0.00053 0.00120 0.00502 0.00080 0.00058 -0.00492 -0.00278 0.00324 -0.00130 0.00221 -0.00326 0.00003 0.00134 0.00610 -0.00196 0.01524 0.00336 -0.00769 0.00077 -0.00862 -0.00142 0.00181 -0.00477 0.00356 -0.00305 0.04049 0.01203 -0.02066 0.00283 -0.01454 0.00190 -0.00532 0.00611 0.00359 -0.00115 0.06901 0.02050 -0.03353 0.00432 -0.03341 0.01008 0.01737 -0.02177 0.01070 -0.00933 0.05281 0.01067 -0.02428 0.00513 -0.04859 -0.37384 -0.19181 0.21050 -0.17491 -0.09565 0.02104 0.00398 -0.01194 0.00400 -0.00965 -2.19629 1.19575 -3.39747 -2.18897 -3.14246 -0.00184 -0.00080 0.00141 0.00006 -0.00044 -0.00784 0.00263 -0.00494 0.00151 -0.00462 -0.00153 -0.00030 0.00036 -0.00036 0.00091 -0.00285 0.00337 -0.00572 -0.00528 -0.00324 -0.00178 0.00065 0.00108 0.00035 0.00030 0.00162 -0.00071 -0.00161 0.00298 0.00545 0.01087 -0.01587 -0.00551 -0.00759 -0.00358 0.00074 0.01163 0.00225 -0.00122 0.00206 0.01761 -0.02795 -0.00985 -0.01298 -0.00420 0.01082 -0.00284 -0.00167 0.02697 0.00540 0.00944 -0.02097 -0.00444 -0.00952 -0.00138 -0.38255 0.09011 0.03922 -0.30598 0.06505 0.00082 0.00011 0.00380 -0.01139 0.00267 -2.25393 -3.96266 -1.89360 2.19159 4.72554 0.00284 -0.00029 -0.00148 -0.00021 -0.00065 0.00332 0.00387 0.00488 -0.00293 -0.00328 0.00071 0.00058 -0.00032 -0.00038 -0.00046 0.00160 -0.00368 0.00011 -0.00148 0.00345 -0.00157 -0.00074 0.00092 -0.00039 0.00039 0.00612 0.00556 -0.00072 -0.00575 -0.00532 -0.05060 0.00552 0.02615 0.00208 0.01799 0.00087 -0.00247 -0.00596 0.00279 -0.00294 -0.08795 0.00961 0.04632 0.00296 0.03850 0.01272 0.00349 0.00369 0.01646 0.01523 -0.07064 0.00209 0.04209 0.00671 0.04607 -0.36503 -0.13529 0.03089 -0.21572 -0.32229 -0.02687 0.00044 0.01665 0.00716 0.00666 -2.05971 0.02676 4.72649 -1.62610 -2.25726 -0.00057 0.00091 0.00016 0.00039 0.00023 0.00430 -0.00140 -0.00481 0.00352 0.00647 0.00137 0.00032 -0.00048 -0.00025 -0.00049 -0.00012 0.00015 0.00604 -0.00412 0.00127 0.00271 -0.00005 -0.00188 0.00018 -0.00003 -0.00772 0.00009 0.00843 0.00195 -0.00142 -0.08119 0.02710 -0.08664 0.08174 -0.08004 -0.00009 -0.00103 0.00057 -0.00514 0.00553 -0.12689 0.04098 -0.13315 0.12900 -0.12980 0.00250 0.00056 -0.00624 -0.04529 0.05525 -0.10851 0.04175 -0.11062 0.11334 -0.13349 -0.02516 -0.04327 0.08138 0.31772 -0.33266 -0.00482 -0.01512 -0.02296 0.01605 -0.04109 0.05753 -0.30425 -1.27983 -1.50308 2.00579 -0.00245 0.00586 -0.00249 0.00246 -0.00144 0.00037 -0.00080 -0.00016 -0.00267 0.00185 -0.00718 -0.00023 -0.00673 -0.00077 -0.00531 0.00076 -0.00144 -0.00031 -0.00343 0.00096 0.00194 0.00193 0.00164 -0.01004 0.00123 -0.00026 0.00038 0.00112 0.00231 -0.00152 -0.00103 0.07089 0.00468 -0.15417 0.00181 0.00202 -0.01029 0.00006 -0.00335 -0.01634 -0.00168 0.10700 0.00738 -0.24301 0.00295 -0.00058 -0.02353 -0.00167 -0.02810 -0.00476 -0.00121 0.10940 0.00736 -0.23723 0.00298 0.01902 0.04421 0.07009 0.15810 -0.27018 -0.00895 -0.00869 0.00412 0.00458 0.00229 -0.02523 -0.87796 -0.00829 -1.41899 0.31573 0.00414 -0.00042 0.00388 0.00927 0.00285 0.00017 0.00082 -0.00097 0.00179 0.00029 0.00075 -0.00685 0.00041 0.00234 0.00030 -0.00007 0.00267 0.00015 0.00113 0.00143 -0.00440 -0.00119 -0.00468 0.00866 -0.00320 0.00018 0.00096 0.00061 0.00180 0.00135 -0.00028 0.02177 0.00009 -0.00093 0.00017 -0.00035 0.00419 0.00017 -0.00556 -0.00063 -0.00044 0.03547 0.00014 -0.00136 0.00027 -0.00053 0.00719 0.00025 -0.00902 -0.00146 -0.00483 -0.03338 -0.06643 -0.00439 0.07383 0.00855 0.00695 -0.01913 -0.00845 -0.00574 0.00086 0.06029 -0.00965 -0.00246 0.00944 0.00602 -0.00498 -0.00305 0.00318 0.00188 0.00511 -0.02436 0.06920 -0.00252 -0.07735 0.00719 0.00216 0.02096 -0.00743 0.00372 0.00119 -0.11555 -0.00035 0.00226 -0.00063 0.00564 -0.02969 0.00056 0.01563 0.01289 -0.00968 -0.05210 -0.10621 -0.00713 0.12152 0.01602 0.00755 -0.03579 -0.01512 -0.01165 0.00093 0.08989 -0.01518 -0.00412 0.01533 0.00419 -0.02349 -0.00505 0.00851 0.00013 0.01019 -0.03866 0.11065 -0.00425 -0.12751 0.01207 -0.00262 0.03675 -0.01290 0.00235 -0.00151 -0.18502 0.00333 0.00095 -0.00476 -0.09535 -0.10599 -0.07575 0.14800 0.07838 0.00196 -0.06201 -0.10426 -0.01413 0.11301 -0.08495 -0.02285 -0.09192 -0.08157 0.08158 0.00246 0.03349 -0.01552 -0.00969 0.01327 0.09801 0.09155 -0.02780 -0.05409 0.12513 -0.01214 -0.05474 0.11598 -0.01082 -0.11540 -0.06416 -0.01266 -0.00054 -0.08521 0.12681 -0.00482 -0.13589 0.01209 0.00438 -0.00724 -0.37131 -2.80336 -0.53410 -4.41844 -2.15932 0.01921 -0.02655 -0.01843 -0.00095 0.00553 -0.01267 -0.89774 -0.72880 -1.20560 -0.07658 -0.00786 -0.02084 0.00450 0.00229 0.00347 0.16034 0.84755 0.64502 -1.68568 -0.07512 -0.01518 -0.02873 0.01996 0.00041 -0.01225 0.01710 -0.91544 -0.12642 -1.32877 0.13790 0.00257 -0.00567 0.00824 -0.00357 -0.00524 0.00018 0.00083 -0.00087 0.00438 -0.00412 -0.00348 -0.00742 0.00327 -0.00569 0.00084 0.00315 0.00400 -0.00109 -0.00423 0.00392 0.02396 0.01035 -0.02119 0.00219 -0.00861 -0.00001 0.00096 -0.00036 -0.00444 0.00484 0.00372 -0.01298 -0.00994 -0.00765 0.00104 0.00005 0.00045 0.00158 0.00824 -0.00611 -0.02139 0.00816 0.01817 0.00212 0.00857 -0.00021 0.00030 -0.00091 -0.00158 0.00533 0.00019 0.00099 -0.00006 0.00143 -0.00007 -0.00499 -0.00475 -0.00028 0.01059 -0.00013 0.00032 0.00162 -0.00010 0.00238 -0.00012 -0.00840 -0.00812 -0.00045 0.01772 -0.00019 0.00477 -0.00295 0.04105 -0.00877 -0.04074 0.00031 -0.00013 0.01178 -0.00257 0.00481 0.00042 -0.01184 0.00583 0.00676 -0.00512 0.00559 0.00614 0.00325 0.00026 -0.00655 -0.00646 -0.00432 -0.04260 -0.00876 0.04274 0.00130 0.00081 -0.01407 0.00005 0.00201 -0.00106 -0.00562 0.00031 -0.00826 0.00039 0.02995 0.03184 0.00113 -0.05957 -0.00029 0.00687 -0.00341 0.05888 -0.01238 -0.05851 -0.00033 0.00083 0.01880 0.00114 0.00641 0.00052 -0.01681 0.00842 0.00990 -0.00730 0.00840 0.01261 0.00517 -0.00049 -0.00771 -0.00930 -0.00539 -0.06110 -0.01235 0.06142 0.00005 0.00206 -0.02063 0.00473 0.00231 -0.00227 -0.00882 0.00095 -0.00954 0.00095 0.03043 0.00953 0.00485 -0.12514 0.01608 0.00686 -0.00454 0.05964 -0.01199 -0.06064 0.00578 -0.00603 0.00898 -0.04720 0.01474 0.00101 -0.01694 0.00825 0.00923 -0.00782 0.00572 -0.00834 0.00384 0.00502 -0.02142 -0.00932 -0.00651 -0.06175 -0.01213 0.06377 0.01185 -0.00437 -0.02220 -0.04084 0.00997 -0.00334 -0.03173 0.00246 -0.01923 0.00126 -0.07777 0.14939 -0.10838 -0.02610 0.09301 -0.00608 -0.00608 0.02877 -0.00670 -0.02426 -0.05207 0.07190 0.03883 0.17274 -0.01464 -0.00046 -0.00541 0.00379 0.00546 -0.00324 0.00703 0.09435 0.01229 -0.00325 0.07728 0.00281 -0.00652 -0.02788 -0.00668 0.02725 -0.07404 0.07490 -0.02486 0.16241 -0.02328 0.00010 0.00004 0.00134 -0.00006 -0.00210 0.00003 -0.00037 0.00076 0.00021 0.00015 -0.00005 0.00059 0.00014 0.00002 -0.00010 0.00012 -0.00063 -0.00017 -0.00075 0.00107 0.00047 0.00081 -0.00070 0.00004 0.00014 0.00045 0.00034 -0.00011 -0.00010 -0.00074 0.00001 -0.00007 -0.00091 -0.00016 0.00124 0.00008 -0.00042 -0.00040 0.00007 -0.00019 -0.00046 0.00073 0.00047 0.00002 0.00019 0.00034 0.00008 0.00022 0.00012 -0.00060 1 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 2 H 1S 2S 3S 4S 5PX 5PY 5PZ 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 7 H 1S 2S 3S 4S 5PX 5PY 5PZ 8 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 15 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 1 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|2 H 1S|2S|3S|4S|5PX|5PY|5PZ|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|7 H 1S|2S|3S|4S|5PX|5PY|5PZ|8 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|15 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 1.10438 0.88470 0.19757 0.24009 0.20113 0.74703 0.47688 0.52295 0.48243 0.46105 0.27010 0.20268 0.28852 0.15050 0.03593 0.00902 0.03387 0.01013 0.01186 0.01871 0.01419 0.01737 0.27148 0.49038 0.06927 -0.02977 0.00887 0.00743 0.00975 1.10472 0.88463 0.18888 0.23692 0.18105 0.77013 0.46657 0.53480 0.45174 0.50584 0.23705 0.15767 0.23745 0.06454 -0.01624 -0.05096 -0.01064 0.01469 0.01470 0.01635 0.02033 0.01653 1.09523 0.89614 0.27796 0.24585 0.28141 0.84367 0.63218 0.57114 0.63720 0.61485 0.44587 0.27863 0.46056 -0.18547 -0.04703 -0.01588 -0.04922 0.00810 0.00368 0.00933 0.00822 0.01001 1.09560 0.89567 0.23433 0.29665 0.23773 0.88017 0.54473 0.64375 0.55139 0.80699 0.35467 0.35351 0.37886 -0.02278 -0.02040 -0.00737 -0.01467 0.00592 0.00337 0.00969 0.00753 0.01084 1.13177 0.85544 0.16544 0.16706 0.16630 0.58897 0.36976 0.37327 0.37086 0.30014 0.19547 0.19902 0.20911 0.02995 0.00627 0.02116 0.01019 0.00336 0.01738 0.01870 0.00369 0.01968 0.25713 0.54443 0.32989 0.02147 0.00399 0.00381 0.00422 1.10433 0.88501 0.22411 0.18615 0.22814 0.73552 0.53247 0.46576 0.53883 0.47529 0.31727 0.16871 0.33700 0.12241 -0.00157 -0.01784 0.01332 0.00989 0.01150 0.01100 0.01227 0.01833 0.27216 0.48329 0.05231 -0.00380 0.00965 0.00664 0.00536 0.27166 0.47889 0.05609 0.00724 0.00810 0.00349 0.01077 0.27227 0.48430 0.04306 -0.01141 0.00730 0.00409 0.01011 0.25709 0.54449 0.32998 0.02097 0.00358 0.00453 0.00390 0.25785 0.54569 0.35579 0.00629 0.00415 0.00334 0.00432 1.10453 0.88485 0.19207 0.23852 0.19074 0.75829 0.47254 0.50884 0.47294 0.26098 0.09897 0.06864 0.12770 0.00327 0.04437 0.02633 0.04957 0.03188 0.03412 0.04486 0.04421 0.04380 1.07786 0.91682 0.37145 0.42839 0.37658 1.08290 0.75366 0.84244 0.76146 0.89248 0.52428 0.63120 0.53464 -0.02428 0.00889 0.02053 0.01020 0.00107 0.00223 0.00047 0.00095 0.00051 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 C H C N N B H C H H H H H C F -0.381091 0.172598 -0.026749 -0.022418 -0.246190 -0.222975 -0.164939 -0.377922 0.174390 0.163746 0.190278 -0.164544 -0.177435 0.297987 -0.214735 -1.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 26 27 28 29 30 31 32 33 34 35 O O O O O V V V V V -0.301301 -0.280922 -0.273012 -0.266945 -0.213186 0.073842 0.101876 0.104364 0.113754 0.126068 1.212463 1.612557 1.287165 0.744057 1.248720 0.131622 0.126474 0.168809 0.178029 0.131467 3.894012323871D+02 -17.2713 6.0252 -5.2473 19.0298 -122.4358 -46.4301 -66.5127 17.4910 -24.8332 4.8700 -43.9762 32.0294 11.9468 17.4910 -24.8332 4.8700 -680.0820 -118.6710 -73.1665 -124.6287 5.1245 -121.1930 -178.5052 -44.9714 -20.9850 18.2547 -3651.6645 -922.4826 -476.7771 -15.8772 -738.5410 -151.2139 59.9633 -393.6396 72.6433 -586.0535 -667.7476 -249.0108 91.9343 -109.0353 -44.7439 0 -390.8861949 6.033E-9 1.203E-5 -32.6952467,23.8130911,8.8821556,13.0041569,-18.4628429,3.6207577 C01 [X(C4H7B1F1N2)] -2.7075457 4.7398555 -1.9218453 0.000004878 0.000002569 -0.000007551 0.000009581 0.000006973 -0.000016693 0.000005503 0.000002516 0.000000430 -0.000007169 -0.000002650 0.000000920 -0.000004109 -0.000003377 0.000013646 0.000016652 0.000008575 -0.000006392 0.000009717 0.000004807 -0.000012793 -0.000010858 -0.000004179 0.000001641 -0.000015130 -0.000004794 -0.000012602 -0.000022778 -0.000011089 0.000008037 -0.000002394 -0.000002209 0.000005788 0.000026573 0.000011928 0.000005183 0.000024278 0.000013582 -0.000018292 -0.000012637 -0.000008766 0.000013437 -0.000022106 -0.000013886 0.000025241 105.86560320000001 AuxInfo=1/0/N:8,1,3,14,6,15,5,4/CRV:2.3,3.3,4.3,5.4,7.2/rA:15nC3HC3NN2B4HCHHHHHC3F/rB:s1;s1;s1;s3;s3;s6;s4;s8;s8;s8;s6;s6;s4s5;s14;/rC:2.9485,1.744,.886;3.4934,2.4448,1.4997;3.0291,.38,.7832;1.9673,2.1906,-.0051;2.0797,-.0275,-.1833;3.9981,-.6366,1.5709;4.6961,-1.2698,.7731;1.5018,3.5427,-.2023;2.3527,4.209,-.3595;.8622,3.5795,-1.0836;.9311,3.8912,.6631;3.3349,-1.4421,2.2315;4.7291,.007,2.3328;1.5173,1.0595,-.5773;.5464,1.1378,-1.4977; Gaussian 16 GINC-IRENE3731 ZOUBRITL NO2_H-H- ES64L-G16RevC.01 RwB97XD GenECP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/GenECPFreq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 105.86560320000001 AuxInfo=1/0/N:8,1,3,14,6,15,5,4/CRV:2.3,3.3,4.3,5.4,7.2/rA:15nC3HC3NN2B4HCHHHHHC3F/rB:s1;s1;s1;s3;s3;s6;s4;s8;s8;s8;s6;s6;s4s5;s14;/rC:2.9485,1.744,.886;3.4934,2.4448,1.4997;3.0291,.38,.7832;1.9673,2.1905,-.0051;2.0797,-.0275,-.1833;3.9981,-.6366,1.5709;4.6961,-1.2698,.7731;1.5018,3.5427,-.2023;2.3527,4.209,-.3595;.8622,3.5795,-1.0836;.9311,3.8912,.6631;3.3349,-1.4421,2.2315;4.7291,.007,2.3328;1.5173,1.0595,-.5773;.5464,1.1378,-1.4977; NO2_H-H- Redundant internal coordinates found in file. (old form). Charge = -1 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 1 1 1 3 3 4 4 5 6 6 6 8 8 8 14 2 3 4 5 6 8 14 14 7 12 13 9 10 11 15 1.0792 1.3702 1.3987 1.4148 1.6103 1.4435 1.345 1.2857 1.2348 1.2349 1.2366 1.0921 1.0896 1.0937 1.3402 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 3 1 1 5 1 1 8 3 3 3 3 7 7 12 4 4 4 9 9 10 4 4 5 1 1 1 3 3 3 4 4 4 5 6 6 6 6 6 6 8 8 8 8 8 8 14 14 14 3 4 4 5 6 6 8 14 14 14 7 12 13 12 13 13 9 10 11 10 11 11 5 15 15 131.2532 120.609 108.1369 107.3667 128.8428 123.7897 127.7555 103.7236 128.4385 105.0336 110.3545 110.5023 109.1786 108.347 109.3219 109.1112 109.8725 109.3583 111.0205 108.6835 109.0286 108.8348 115.7366 119.0385 125.224 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 4 4 2 2 3 3 1 6 1 1 1 5 5 5 1 1 1 14 14 14 1 1 8 8 3 3 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 3 3 3 3 4 4 4 4 5 5 6 6 6 6 6 6 8 8 8 8 8 8 14 14 14 14 14 14 5 6 5 6 8 14 8 14 14 14 7 12 13 7 12 13 9 10 11 9 10 11 5 15 5 15 4 15 -179.8575 -0.1671 -0.2175 179.4728 -2.9859 -179.8836 177.3286 0.4309 -0.0963 -179.8061 -120.8113 119.3761 -0.6334 58.833 -60.9795 179.011 50.978 170.189 -69.7056 -132.8706 -13.6596 106.4458 -0.5367 179.7911 -177.4052 2.9225 0.4071 -179.9437 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00017 0.00226 0.00352 0.00968 0.01432 0.03234 0.04407 0.04825 0.04871 0.04983 0.06147 0.06162 0.10060 0.10166 0.10534 0.12062 0.13146 0.13724 0.14604 0.17781 0.18250 0.18638 0.18803 0.19642 0.20808 0.21918 0.22491 0.24746 0.32330 0.33383 0.34059 0.34906 0.36042 0.37395 0.38869 0.41135 0.46404 0.49978 0.60831 Angle between quadratic step and forces= 84.46 degrees. 1 2 0.00008099 0.00000001 0.00000001 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 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 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 2.03935 2.58932 2.64307 2.67349 3.04296 2.72785 2.54177 2.42955 2.33336 2.33367 2.33680 2.06369 2.05902 2.06678 2.53265 2.29080 2.10502 1.88735 1.87390 2.24873 2.16054 2.22975 1.81032 2.24167 1.83318 1.92605 1.92863 1.90553 1.89101 1.90803 1.90435 1.91764 1.90866 1.93767 1.89689 1.90291 1.89953 2.01998 2.07761 2.18557 -3.13910 -0.00292 -0.00380 3.13239 -0.05211 -3.13956 3.09497 0.00752 -0.00168 -3.13821 -2.10856 2.08351 -0.01105 1.02683 -1.06429 3.12433 0.88973 2.97036 -1.21659 -2.31903 -0.23840 1.85783 -0.00937 3.13795 -3.09631 0.05101 0.00710 -3.14061 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 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 -0.00002 -0.00003 -0.00001 -0.00001 -0.00009 0.00003 -0.00010 0.00002 -0.00000 0.00000 0.00008 0.00008 0.00009 0.00007 0.00007 0.00008 -0.00014 -0.00014 -0.00014 -0.00029 -0.00029 -0.00029 -0.00002 -0.00001 0.00010 0.00011 0.00002 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00001 -0.00001 -0.00000 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 -0.00002 -0.00003 -0.00001 -0.00001 -0.00009 0.00003 -0.00010 0.00002 -0.00000 0.00000 0.00008 0.00008 0.00009 0.00007 0.00007 0.00008 -0.00014 -0.00014 -0.00014 -0.00029 -0.00029 -0.00029 -0.00002 -0.00001 0.00010 0.00011 0.00002 0.00000 2.03935 2.58932 2.64307 2.67349 3.04296 2.72786 2.54177 2.42955 2.33337 2.33367 2.33680 2.06368 2.05903 2.06678 2.53265 2.29080 2.10502 1.88735 1.87390 2.24874 2.16053 2.22975 1.81032 2.24168 1.83319 1.92605 1.92862 1.90553 1.89102 1.90803 1.90434 1.91762 1.90867 1.93768 1.89689 1.90291 1.89952 2.01998 2.07761 2.18557 -3.13913 -0.00294 -0.00380 3.13238 -0.05220 -3.13953 3.09487 0.00754 -0.00169 -3.13821 -2.10848 2.08358 -0.01096 1.02690 -1.06422 3.12442 0.88959 2.97021 -1.21673 -2.31932 -0.23870 1.85754 -0.00939 3.13794 -3.09620 0.05112 0.00712 -3.14061 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000002 0.000001 0.000331 0.000081 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.252482e-10 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 1 1 1 3 3 4 4 5 6 6 6 8 8 8 14 2 3 4 5 6 8 14 14 7 12 13 9 10 11 15 1.0792 1.3702 1.3987 1.4148 1.6103 1.4435 1.345 1.2857 1.2348 1.2349 1.2366 1.0921 1.0896 1.0937 1.3402 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 1 5 1 1 8 3 3 3 3 7 7 12 4 4 4 9 9 10 4 4 5 1 1 1 3 3 3 4 4 4 5 6 6 6 6 6 6 8 8 8 8 8 8 14 14 14 3 4 4 5 6 6 8 14 14 14 7 12 13 12 13 13 9 10 11 10 11 11 5 15 15 131.2532 120.609 108.1369 107.3667 128.8428 123.7897 127.7555 103.7236 128.4385 105.0336 110.3545 110.5023 109.1786 108.347 109.3219 109.1112 109.8725 109.3583 111.0205 108.6835 109.0286 108.8348 115.7366 119.0385 125.224 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 4 4 2 2 3 3 1 6 1 1 1 5 5 5 1 1 1 14 14 14 1 1 8 8 3 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 3 3 3 3 4 4 4 4 5 5 6 6 6 6 6 6 8 8 8 8 8 8 14 14 14 14 14 5 6 5 6 8 14 8 14 14 14 7 12 13 7 12 13 9 10 11 9 10 11 5 15 5 15 4 -179.8575 -0.1671 -0.2175 179.4728 -2.9859 -179.8836 177.3286 0.4309 -0.0963 -179.8061 -120.8113 119.3761 -0.6334 58.833 -60.9795 179.011 50.978 170.189 -69.7056 -132.8706 -13.6596 106.4458 -0.5367 179.7911 -177.4052 2.9225 0.4071 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 0.000000 1.079177 0.000000 1.370209 2.234316 0.000000 1.398650 2.158225 2.242059 0.000000 2.244155 3.308008 1.414752 2.227983 0.000000 2.690366 3.123297 1.610265 3.821090 2.669910 0.000000 3.485640 3.971478 2.345367 4.474970 3.050111 1.234759 0.000000 2.551937 2.840465 3.647733 1.443518 3.616625 5.180909 5.857798 0.000000 2.825312 2.805357 4.052663 2.085199 4.248856 5.469320 6.065531 1.092056 0.000000 3.406051 3.857994 4.291530 2.076936 3.911923 5.886937 6.454560 1.089589 1.772606 0.000000 2.954649 3.058951 4.091980 2.100598 4.170313 5.543615 6.389263 1.093691 1.779767 1.775614 0.000000 3.480025 3.958355 2.347543 4.479783 3.067165 1.234926 2.002404 5.842151 6.293812 6.505386 6.056538 0.000000 2.877664 2.857271 2.330316 4.226253 3.653927 1.236580 2.015979 5.416902 5.527422 6.275966 5.683285 2.013484 0.000000 2.158237 3.183964 2.144305 1.345048 1.285664 3.693990 4.165697 2.511370 3.265638 2.652567 3.146559 4.177342 4.460017 0.000000 3.438028 4.402021 3.455578 2.314164 2.331689 4.947681 5.307803 2.893870 3.740378 2.496644 3.521157 5.323379 5.783352 1.340220 0.000000 3.9346162 1.6670797 1.1909923 1 -390.886194869 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 2.3741, EpsInf= 2.2383) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=720086821. There are 48 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 45 vectors produced by pass 0 Test12= 1.22D-14 2.08D-09 XBig12= 4.67D+01 2.89D+00. AX will form 45 AO Fock derivatives at one time. 45 vectors produced by pass 1 Test12= 1.22D-14 2.08D-09 XBig12= 8.09D+00 4.43D-01. 45 vectors produced by pass 2 Test12= 1.22D-14 2.08D-09 XBig12= 1.93D-01 5.57D-02. 45 vectors produced by pass 3 Test12= 1.22D-14 2.08D-09 XBig12= 2.40D-03 6.25D-03. 45 vectors produced by pass 4 Test12= 1.22D-14 2.08D-09 XBig12= 2.88D-05 6.52D-04. 45 vectors produced by pass 5 Test12= 1.22D-14 2.08D-09 XBig12= 1.93D-07 5.06D-05. 45 vectors produced by pass 6 Test12= 1.22D-14 2.08D-09 XBig12= 1.30D-09 4.60D-06. 23 vectors produced by pass 7 Test12= 1.22D-14 2.08D-09 XBig12= 9.07D-12 3.68D-07. 3 vectors produced by pass 8 Test12= 1.22D-14 2.08D-09 XBig12= 6.07D-14 2.63D-08. 1 vectors produced by pass 9 Test12= 1.22D-14 2.08D-09 XBig12= 3.25D-16 2.27D-09. InvSVY: IOpt=1 It= 1 EMax= 2.66D-15 Solved reduced A of dimension 342 with 48 vectors. Isotropic polarizability for W= 0.000000 99.17 Bohr**3. End of Minotr F.D. properties file 721 does not exist. alpha 26 27 28 29 30 31 32 33 34 35 O O O O O V V V V V -0.301301 -0.280922 -0.273012 -0.266945 -0.213186 0.073842 0.101876 0.104364 0.113754 0.126068 1.212463 1.612557 1.287165 0.744057 1.248720 0.131622 0.126474 0.168809 0.178029 0.131467 3.894012329085D+02 PT11903S 2021-03-13T20:08:57.000 -10.22631 -10.20417 -6.66888 -1.30230 -1.06230 -0.93274 -0.78436 -0.75710 -0.63785 -0.63292 -0.57500 -0.54433 -0.50699 -0.49803 -0.49576 -0.47245 -0.44791 -0.42927 -0.41775 -0.31761 -0.30130 -0.28092 -0.27301 -0.26694 -0.21319 0.07384 0.10188 0.10436 0.11375 0.12607 0.13387 0.14111 0.14516 0.15562 0.16163 0.16674 0.17139 0.17561 0.17974 0.19505 0.19904 0.20353 0.20945 0.21789 0.22072 0.22388 0.24275 0.24604 0.25186 0.26028 0.27207 0.27295 0.28645 0.29899 0.30245 0.31211 0.32144 0.32535 0.34769 0.35185 0.35986 0.36351 0.37016 0.37975 0.38342 0.39400 0.39862 0.41439 0.41821 0.43326 0.43696 0.44861 0.46529 0.47720 0.48886 0.51748 0.51889 0.52317 0.56051 0.57553 0.58134 0.59081 0.60981 0.63556 0.65991 0.68774 0.72452 0.72678 0.73343 0.75415 0.75846 0.76852 0.78131 0.79119 0.80466 0.81079 0.82437 0.85938 0.87605 0.89174 0.90410 0.95532 0.98297 0.98765 0.99971 1.02709 1.05354 1.06024 1.06381 1.10862 1.13435 1.15296 1.16808 1.21329 1.23801 1.28359 1.29360 1.33683 1.35952 1.36747 1.41946 1.43050 1.48282 1.51110 1.51625 1.52216 1.55167 1.55656 1.57766 1.59440 1.60860 1.61926 1.67122 1.68005 1.71625 1.72367 1.76126 1.78603 1.80675 1.84460 1.86419 1.87165 1.87462 1.94374 1.96924 2.00873 2.02493 2.05045 2.08844 2.14066 2.17222 2.19794 2.20405 2.25915 2.26758 2.28682 2.30639 2.33570 2.36019 2.36338 2.37255 2.42023 2.55630 2.57185 2.58979 2.60335 2.64164 2.66171 2.72572 2.73858 2.75779 2.78313 2.80672 2.83673 2.83943 2.88438 2.90398 2.91574 2.96030 2.99184 3.04465 3.05792 3.09848 3.11080 3.15003 3.18158 3.18598 3.20286 3.31452 3.43670 3.57433 3.70552 3.76620 3.85789 3.87805 3.91098 3.92503 3.94771 3.98650 4.09107 4.11250 4.16000 4.19513 4.24729 4.64799 4.81027 5.06702 5.19981 5.41685 6.45815 6.58070 6.92443 14.93936 23.95409 24.04055 24.11406 24.35434 35.69203 35.91361 66.98828 26 27 28 29 30 31 32 33 34 35 O|O|O|O|O|V|V|V|V|V -0.30130 -0.28092 -0.27301 -0.26694 -0.21319 0.07384 0.10188 0.10436 0.11375 0.12607 -0.00016 -0.02067 0.00035 -0.01346 0.00011 -0.00511 0.00799 0.00038 0.00564 0.00282 -0.00025 -0.03352 0.00056 -0.02146 0.00017 -0.00832 0.01260 0.00053 0.00910 0.00470 -0.01261 0.00590 0.06492 0.01123 -0.10592 0.00559 -0.01487 -0.00796 -0.00839 -0.00562 -0.00124 -0.07866 0.00902 -0.03832 -0.01446 0.00949 -0.01658 -0.00040 0.00067 -0.01865 0.01024 -0.00380 -0.06652 0.00364 0.11071 0.00548 -0.01850 0.00898 -0.00795 -0.00338 0.00091 0.09855 -0.00152 0.06152 -0.00089 0.02816 -0.02873 0.00247 -0.02517 -0.01821 -0.02075 0.00647 0.10444 0.01727 -0.16672 0.01026 -0.03017 -0.01167 -0.00200 0.00057 -0.00230 -0.10987 0.01433 -0.05091 -0.02236 0.00243 -0.01118 0.00010 0.00146 -0.02477 0.01769 -0.00678 -0.10736 0.00648 0.17360 0.00904 -0.02931 0.00485 -0.00404 -0.00172 -0.00536 0.15375 -0.00125 0.11641 0.00999 0.00677 -0.23324 -0.11547 -0.38685 0.12293 -0.00293 0.00685 0.09216 -0.00186 -0.19515 0.04170 0.05827 0.01456 0.07933 -0.08751 0.00101 -0.10205 0.01276 -0.04927 -0.02875 0.08587 -0.15032 0.01252 0.09137 -0.14592 0.00425 -0.00625 -0.09474 -0.01129 0.19778 0.05007 0.01506 0.12248 0.10004 -0.06022 0.04554 0.19619 -0.02757 -0.40755 0.01532 -1.26783 -0.84655 -8.90089 -2.40041 26.71571 0.00023 0.00861 0.02839 -0.01062 -0.04492 0.69596 -1.27217 0.39858 -0.02190 -1.93828 -0.02362 -0.07348 0.01907 0.13471 -0.00930 1.07239 -3.26481 3.17175 -2.03126 -10.56867 0.00372 -0.00246 -0.03050 0.00799 0.04997 0.74213 -1.45249 0.54884 -0.52044 -3.37035 -0.01108 0.00011 0.00737 0.00016 0.00036 0.00026 0.00061 0.00190 -0.00014 0.00196 -0.00167 -0.00240 0.00039 -0.00339 0.00146 0.00134 -0.00064 -0.00269 -0.00503 0.00567 0.01139 0.00796 -0.00173 0.00213 -0.01110 -0.00031 0.00193 0.00356 0.00380 0.00514 0.00973 -0.00194 -0.00461 -0.00121 -0.00325 0.00074 0.00060 -0.00005 -0.00117 0.00056 -0.00990 0.00821 0.00072 0.00270 0.01002 -0.00037 0.00336 -0.00416 0.00391 0.00099 -0.00116 -0.01597 0.00032 -0.00119 -0.00032 0.00622 -0.00428 -0.00134 -0.00203 0.00324 -0.00211 -0.02950 0.00027 -0.00244 -0.00001 0.03140 -0.04758 0.00322 -0.05881 -0.03087 -0.00095 -0.00370 -0.00008 -0.00315 -0.00041 -0.30657 0.53972 -0.16550 0.26602 0.65880 0.00375 -0.00443 -0.00221 -0.02743 -0.00563 -1.27889 5.51287 -0.63880 1.76297 7.03590 -0.00120 0.00399 0.00604 0.00029 -0.00963 -0.00194 0.00417 -0.00406 0.00280 0.00312 0.00002 -0.00155 0.00073 -0.00100 -0.00136 -0.00394 0.00893 -0.00033 0.00433 0.00416 0.00108 0.00369 -0.00618 -0.00004 0.01009 -0.00234 0.00459 0.00312 0.00330 0.00622 -0.00044 0.03308 0.00012 0.00198 -0.00010 0.00217 -0.00028 0.00033 -0.00199 -0.00156 -0.00071 0.05353 0.00019 0.00326 -0.00017 0.00341 -0.00079 0.00047 -0.00389 -0.00230 0.06597 -0.05389 0.01655 0.00080 -0.08656 0.00324 -0.00028 0.02242 -0.00358 0.00917 0.00649 0.12272 0.00268 0.03669 -0.01193 -0.00446 0.00002 0.00213 -0.00555 0.00655 -0.06157 -0.03540 -0.01911 0.00604 0.08973 0.00344 0.00465 -0.02359 -0.00505 -0.00667 0.00183 -0.14723 -0.00055 -0.01034 0.00063 -0.00525 0.01003 0.00080 0.02655 0.00109 0.10623 -0.07306 0.02779 0.00337 -0.13824 0.00435 0.00122 0.04194 -0.00770 0.01867 0.01097 0.17867 0.00432 0.05476 -0.01921 0.00339 0.00494 0.00568 -0.01815 0.01581 -0.09957 -0.04644 -0.03192 0.01108 0.14327 0.00596 0.01180 -0.04070 -0.01222 -0.01166 0.00487 -0.26095 -0.00045 -0.01577 -0.00493 0.00392 -0.17831 -0.01900 -0.13022 0.08553 0.08509 -0.06259 0.01523 -0.01185 -0.11915 0.02975 -0.04075 0.02015 -0.15799 0.05299 0.00899 0.09318 0.00392 -0.00250 -0.01929 -0.04668 -0.02561 0.04128 0.24772 -0.15707 -0.08231 -0.04743 -0.01796 -0.01081 0.12703 0.02508 -0.03542 -0.05133 -0.11902 0.01292 -0.07060 -0.29006 0.03697 0.48701 -0.00541 2.44323 -2.82974 9.23830 -5.56722 -21.95224 0.01211 -0.02934 -0.03142 0.00417 -0.03054 -0.21177 -0.39506 -0.68754 -2.12447 2.08869 -0.02169 -0.01243 0.00715 0.15310 -0.00163 -0.00994 -1.01292 3.02226 3.22634 -12.06331 -0.00542 -0.02886 0.03075 0.02446 0.02393 -0.14469 -0.61109 -0.53384 -1.43379 0.28170 0.00899 -0.00561 -0.01905 -0.01050 -0.00602 -0.00018 -0.00140 0.00389 0.00167 -0.00178 -0.00099 -0.00716 0.00027 -0.01411 -0.00282 0.00129 -0.00568 -0.00150 -0.00518 -0.00053 0.00491 0.01231 -0.00429 -0.00114 0.01915 -0.00058 -0.00261 0.00076 0.00010 0.00033 -0.00441 -0.01355 0.00998 -0.01784 0.00860 0.00025 -0.00127 -0.00181 0.00207 -0.00475 -0.00600 0.01023 0.00722 -0.00413 -0.01706 -0.00041 -0.00220 -0.00198 0.00187 -0.00119 0.00052 -0.00215 -0.00048 0.00235 -0.00049 0.00111 0.00067 0.00049 0.00900 -0.00445 0.00085 -0.00344 -0.00078 0.00384 -0.00081 0.00197 0.00103 0.00082 0.01525 -0.00758 -0.10588 -0.02840 0.05591 -0.01296 0.05469 0.00300 0.00226 0.01745 0.00885 0.00611 -0.01956 -0.01805 0.00973 0.00168 0.00911 -0.01483 -0.00993 0.00269 -0.00227 -0.00370 0.11317 -0.02836 -0.05890 -0.01586 -0.05780 0.00040 0.00307 -0.01769 0.00858 -0.00528 -0.00241 0.00880 0.00218 -0.01131 0.00241 -0.00816 -0.00320 -0.00362 -0.06084 0.03193 -0.16283 -0.04035 0.08573 -0.01800 0.08437 0.00075 0.00640 0.02406 0.01064 0.00685 -0.02959 -0.02569 0.01450 0.00272 0.01386 -0.02022 -0.01186 0.00578 -0.00514 -0.00707 0.17385 -0.04018 -0.09026 -0.02251 -0.08862 -0.00164 0.00839 -0.02508 0.01121 -0.01165 -0.00260 0.04047 0.00427 -0.02456 0.00321 -0.01981 -0.01038 0.02274 0.03054 -0.05187 -0.17266 -0.05220 0.09633 -0.02611 0.09292 0.06361 0.01475 0.07461 0.08225 0.04306 -0.03550 -0.04402 0.02076 -0.00166 0.01742 -0.14060 -0.08796 -0.04135 -0.04345 0.05548 0.18788 -0.05364 -0.10255 -0.03182 -0.10533 0.03290 0.00349 -0.04741 0.06868 0.02559 -0.00302 0.04406 0.00650 0.01114 0.00073 -2.03233 -0.41399 0.95153 -0.71085 -1.88236 -0.03859 -0.01917 0.02842 -0.00513 0.03689 0.45999 0.93841 0.15424 0.13087 -0.21073 -0.01512 -0.01451 0.00906 -0.01192 0.01013 -1.54074 -0.07406 -0.45067 -0.74846 0.69175 0.04983 -0.01995 -0.03277 -0.00784 -0.04999 0.22515 0.87925 0.32342 0.02024 -0.31165 -0.00056 0.00067 -0.01013 -0.00079 0.01781 -0.00146 -0.00087 0.00078 0.00039 -0.00050 0.00042 0.00096 -0.00020 -0.00069 0.00032 0.00225 -0.00072 0.00082 -0.00099 -0.00014 -0.00338 -0.00316 -0.00118 -0.00173 0.00211 0.00080 -0.00280 -0.00472 0.00127 -0.00017 -0.00045 0.00227 0.00544 -0.00041 -0.00953 -0.00237 -0.00009 -0.00184 -0.00022 -0.00234 0.00332 -0.00266 0.00250 -0.00189 -0.00433 -0.00053 -0.00343 0.00441 0.00105 -0.00024 -0.00049 -0.03636 0.00005 0.00171 0.00009 -0.00281 0.00062 0.00062 0.01158 -0.00520 -0.00080 -0.05885 0.00008 0.00272 0.00014 -0.00437 0.00109 0.00109 0.01887 -0.00853 0.07524 -0.00076 -0.10302 -0.03008 0.00004 -0.00172 -0.00786 0.01052 0.00511 -0.00618 0.00542 -0.15301 -0.01283 -0.02464 0.00098 -0.00382 -0.00300 0.00244 0.00740 -0.01580 -0.08386 -0.02231 0.10942 -0.02754 0.00041 -0.00032 -0.00735 -0.01012 0.00759 -0.00686 0.00199 0.16532 -0.00008 -0.01001 -0.00041 0.00799 -0.00648 -0.00564 -0.05460 0.02576 0.11559 -0.00163 -0.15800 -0.04270 0.00069 -0.00289 -0.01522 0.01740 0.01339 -0.01177 0.00862 -0.22088 -0.01976 -0.03655 0.00150 -0.00399 -0.00778 0.00338 0.01635 -0.02090 -0.12855 -0.03278 0.16760 -0.03871 -0.00009 -0.00073 -0.01185 -0.01987 0.01591 -0.01407 0.00641 0.30332 -0.00261 -0.01501 -0.00023 0.12527 0.03870 0.01780 -0.18566 0.06914 0.10650 -0.01713 -0.14490 -0.04412 -0.00611 -0.00745 0.00272 0.02261 -0.01616 -0.00362 0.00946 -0.16579 -0.01923 -0.03219 0.00084 0.02462 0.02091 0.01714 -0.05336 -0.03755 -0.11838 -0.04043 0.15411 -0.04025 0.00798 -0.00023 -0.00607 0.00223 -0.01212 -0.00146 0.00422 0.19555 -0.00386 -0.03887 0.00438 -0.32010 0.43030 -0.14419 0.19099 -0.28582 0.01048 0.00108 -0.01402 -0.02065 0.00509 -0.18565 -0.48987 0.03480 0.96010 -0.98157 0.00438 -0.01531 -0.00482 -0.01982 0.00155 -0.02831 0.11539 -0.21409 -0.19543 0.84472 -0.01044 -0.00151 0.01440 -0.02184 -0.00308 -0.19437 -0.35317 -0.19999 0.83384 -0.88625 -0.00806 0.00632 -0.00222 0.00027 0.01232 -0.00054 0.00075 -0.00472 0.00077 -0.00102 0.00054 -0.00337 -0.00193 -0.00040 0.00099 0.00016 0.00081 -0.00016 -0.00154 0.00213 -0.00689 0.00378 0.01341 -0.00102 -0.00353 -0.00001 0.00017 0.00109 0.00026 -0.00005 0.00324 0.00917 0.00467 0.00079 -0.00784 -0.00123 0.00013 0.00266 0.00113 0.00193 0.00694 0.00726 -0.01207 -0.00138 0.00143 -0.00025 0.00046 0.00004 0.00071 -0.00040 0.00023 0.00256 -0.00004 0.00011 -0.00003 -0.00214 0.00511 0.00106 0.01273 -0.00333 0.00036 0.00374 -0.00006 0.00018 -0.00005 -0.00331 0.00852 0.00165 0.02142 -0.00583 0.06717 0.08555 0.07301 -0.05397 0.05472 -0.00018 -0.01079 0.00393 -0.00626 -0.00484 0.01201 -0.05151 0.01187 -0.13537 0.00780 0.00122 -0.00112 0.00130 0.00943 -0.01984 -0.07578 0.07431 -0.07299 -0.07195 -0.05676 -0.00006 -0.00967 -0.00461 -0.00473 -0.01246 -0.00086 -0.01467 0.00016 -0.00080 -0.00004 0.00912 -0.03993 -0.00794 -0.11063 0.04361 0.08986 0.11804 0.09672 -0.06853 0.07269 0.00447 -0.01852 0.00091 -0.02334 -0.01588 0.01622 -0.06853 0.01568 -0.17838 0.01023 0.00248 -0.00275 0.00853 0.01124 -0.04808 -0.10112 0.10281 -0.09684 -0.09240 -0.07532 0.00502 -0.01816 -0.00259 -0.01966 -0.02492 -0.00141 0.01426 0.00090 -0.00446 -0.00083 -0.05597 0.17740 0.06783 0.79733 -0.43058 0.04894 0.05880 0.07711 -0.04369 0.06269 0.01028 -0.09852 -0.02176 -0.22546 0.20677 0.00844 -0.03014 0.01236 -0.12637 0.00906 -0.03726 0.10764 -0.01776 0.32939 -0.02060 -0.05488 0.05177 -0.07896 -0.06122 -0.06390 -0.00094 -0.06860 -0.07774 -0.17898 0.14966 0.00721 0.12089 -0.00206 -0.02649 0.00431 -0.42374 1.79032 2.07287 9.52953 -12.18431 0.01114 -0.00486 0.00893 -0.01836 0.00634 0.07962 0.27646 -0.85158 -0.77385 1.66418 0.00346 0.00775 0.00057 -0.02923 0.00095 0.04410 0.07605 -0.19139 0.48764 0.38251 -0.00721 -0.00317 -0.01086 -0.02141 -0.00821 0.09690 0.13604 0.35432 -0.61563 2.25967 0.00729 0.00108 0.00389 -0.00023 -0.00362 0.00014 -0.00171 0.00424 -0.00041 0.00105 0.00037 -0.00871 -0.00033 -0.02295 -0.00219 0.00148 0.00013 0.00007 0.00458 -0.00239 0.00436 0.01524 0.00883 -0.00787 0.01730 0.00146 -0.00388 -0.00183 -0.00755 0.00116 -0.00330 -0.00329 -0.00019 -0.00171 0.00626 0.00013 -0.00107 -0.00145 0.00191 -0.00356 -0.00588 0.01685 -0.00797 -0.00668 -0.01513 0.00114 -0.00507 -0.00098 -0.00796 -0.00011 0.07711 0.02669 0.08297 0.08846 0.07861 0.00019 -0.00030 -0.00072 -0.00560 0.00772 0.12107 0.04040 0.12704 0.13939 0.12728 0.00190 0.00230 -0.01404 -0.04673 0.05072 0.10164 0.04153 0.10610 0.12245 0.13279 -0.02513 -0.03425 0.01633 0.31678 -0.35333 0.00188 -0.01431 0.02272 0.01755 0.03838 0.11465 -0.54270 0.30129 -1.34347 2.85511 -0.00252 0.00236 -0.00165 -0.00984 -0.00154 -0.00030 0.00062 -0.00029 0.00249 -0.00217 0.00666 -0.00070 0.00619 -0.00181 0.00491 0.00064 -0.00135 0.00002 -0.00270 0.00046 0.00292 0.00559 0.00342 0.00321 0.00216 0.00046 -0.00104 -0.00002 -0.00316 0.00219 -0.00006 -0.00008 0.00016 -0.00106 0.00026 -0.02187 -0.00354 0.00054 -0.00215 -0.00246 -0.00008 -0.00013 0.00025 -0.00172 0.00044 -0.03498 -0.00574 0.00090 -0.00310 -0.00413 0.03048 0.00869 -0.01623 0.00513 -0.00494 -0.00494 -0.02241 0.03024 0.01435 0.01672 0.00567 0.00729 -0.00254 -0.00393 0.00041 0.02064 -0.01303 0.00524 0.00470 0.00965 -0.03239 0.00848 0.01617 0.00508 0.00634 -0.00096 -0.01920 -0.03443 0.01665 0.01438 -0.00041 0.00054 -0.00006 0.00525 -0.00134 0.08535 0.01272 -0.00573 -0.00135 0.01543 0.04311 0.01239 -0.02303 0.00774 -0.00609 -0.01238 -0.05040 0.07034 0.03003 0.03923 0.00794 0.01018 -0.00335 -0.00655 0.00098 0.04281 -0.02252 0.01381 0.01553 0.01941 -0.04576 0.01194 0.02279 0.00762 0.00778 -0.00272 -0.04376 -0.07644 0.03569 0.02391 0.00855 0.00414 -0.01019 0.00843 -0.00374 0.71063 0.17228 0.05478 0.20864 -0.00184 0.03861 0.01416 -0.02436 0.00839 0.00650 0.07087 0.02888 -0.03203 0.00163 -0.03116 0.00522 0.00961 -0.00311 -0.00532 0.00649 -0.18965 -0.11767 -0.04885 -0.08976 -0.01345 -0.04275 0.01361 0.02088 0.00776 0.00713 0.01845 0.01932 0.03577 -0.01751 0.01879 0.04008 0.04517 -0.03841 -0.02281 -0.00113 9.07174 3.23056 -0.50072 6.18605 1.28333 -0.00530 0.00870 -0.00040 -0.00654 0.00823 0.17035 -0.67685 0.89953 1.26574 1.44264 -0.01117 -0.01131 0.00753 0.00198 0.00471 -0.49163 -0.49799 0.43541 -1.35902 0.65836 0.00587 0.00836 -0.00003 -0.01025 0.00414 -0.00408 -0.71354 -1.81743 1.09966 2.07261 -0.00144 -0.00203 -0.00054 -0.00105 0.00226 -0.00224 0.00051 0.00069 0.00513 0.00126 0.00663 -0.00384 -0.00352 -0.00169 -0.00288 0.00143 -0.00018 -0.00294 0.00067 0.00696 -0.01458 0.00278 0.00775 0.00128 0.00807 -0.00053 0.00120 0.00502 0.00080 0.00058 -0.00492 -0.00278 0.00324 -0.00130 0.00221 -0.00326 0.00003 0.00134 0.00610 -0.00196 0.01524 0.00336 -0.00769 0.00077 -0.00862 -0.00142 0.00181 -0.00477 0.00356 -0.00305 0.04049 0.01203 -0.02066 0.00283 -0.01454 0.00190 -0.00532 0.00611 0.00359 -0.00115 0.06901 0.02050 -0.03353 0.00432 -0.03341 0.01008 0.01737 -0.02177 0.01070 -0.00933 0.05281 0.01067 -0.02428 0.00513 -0.04859 -0.37384 -0.19181 0.21050 -0.17491 -0.09565 0.02104 0.00398 -0.01194 0.00400 -0.00965 -2.19629 1.19575 -3.39747 -2.18897 -3.14246 -0.00184 -0.00080 0.00141 0.00006 -0.00044 -0.00784 0.00263 -0.00494 0.00151 -0.00462 -0.00153 -0.00030 0.00036 -0.00036 0.00091 -0.00285 0.00337 -0.00572 -0.00528 -0.00324 -0.00178 0.00065 0.00108 0.00035 0.00030 0.00162 -0.00071 -0.00161 0.00298 0.00545 0.01087 -0.01587 -0.00551 -0.00759 -0.00358 0.00074 0.01163 0.00225 -0.00122 0.00206 0.01761 -0.02795 -0.00985 -0.01298 -0.00420 0.01082 -0.00284 -0.00167 0.02697 0.00540 0.00944 -0.02097 -0.00444 -0.00952 -0.00138 -0.38255 0.09011 0.03922 -0.30598 0.06505 0.00082 0.00011 0.00380 -0.01139 0.00267 -2.25393 -3.96266 -1.89361 2.19159 4.72554 0.00284 -0.00029 -0.00148 -0.00021 -0.00065 0.00332 0.00387 0.00488 -0.00293 -0.00328 0.00071 0.00058 -0.00032 -0.00038 -0.00046 0.00160 -0.00368 0.00011 -0.00148 0.00345 -0.00157 -0.00074 0.00092 -0.00039 0.00039 0.00612 0.00556 -0.00072 -0.00575 -0.00532 -0.05060 0.00552 0.02615 0.00208 0.01799 0.00087 -0.00247 -0.00596 0.00279 -0.00294 -0.08795 0.00961 0.04632 0.00296 0.03850 0.01272 0.00349 0.00369 0.01646 0.01523 -0.07064 0.00209 0.04209 0.00671 0.04607 -0.36503 -0.13529 0.03089 -0.21572 -0.32229 -0.02687 0.00044 0.01665 0.00716 0.00666 -2.05971 0.02676 4.72649 -1.62610 -2.25726 -0.00057 0.00091 0.00016 0.00039 0.00023 0.00430 -0.00140 -0.00481 0.00352 0.00647 0.00137 0.00032 -0.00048 -0.00025 -0.00049 -0.00012 0.00015 0.00604 -0.00412 0.00127 0.00271 -0.00005 -0.00188 0.00018 -0.00003 -0.00772 0.00009 0.00843 0.00195 -0.00142 -0.08119 0.02710 -0.08664 0.08174 -0.08004 -0.00009 -0.00103 0.00057 -0.00514 0.00553 -0.12689 0.04098 -0.13315 0.12900 -0.12980 0.00250 0.00056 -0.00624 -0.04529 0.05525 -0.10851 0.04175 -0.11062 0.11334 -0.13349 -0.02516 -0.04327 0.08138 0.31772 -0.33266 -0.00482 -0.01512 -0.02296 0.01605 -0.04109 0.05753 -0.30425 -1.27983 -1.50308 2.00579 -0.00245 0.00586 -0.00249 0.00246 -0.00144 0.00037 -0.00080 -0.00016 -0.00267 0.00185 -0.00718 -0.00023 -0.00673 -0.00077 -0.00531 0.00076 -0.00144 -0.00031 -0.00343 0.00096 0.00194 0.00193 0.00164 -0.01004 0.00123 -0.00026 0.00038 0.00112 0.00231 -0.00152 -0.00103 0.07089 0.00468 -0.15417 0.00181 0.00202 -0.01029 0.00006 -0.00335 -0.01634 -0.00168 0.10700 0.00738 -0.24301 0.00295 -0.00058 -0.02353 -0.00167 -0.02810 -0.00476 -0.00121 0.10940 0.00736 -0.23723 0.00298 0.01902 0.04421 0.07009 0.15810 -0.27018 -0.00895 -0.00869 0.00412 0.00458 0.00229 -0.02523 -0.87796 -0.00829 -1.41899 0.31573 0.00414 -0.00042 0.00388 0.00927 0.00285 0.00017 0.00082 -0.00097 0.00179 0.00029 0.00075 -0.00685 0.00041 0.00234 0.00030 -0.00007 0.00267 0.00015 0.00113 0.00143 -0.00440 -0.00119 -0.00468 0.00866 -0.00320 0.00018 0.00096 0.00061 0.00180 0.00135 -0.00028 0.02177 0.00009 -0.00093 0.00017 -0.00035 0.00419 0.00017 -0.00556 -0.00063 -0.00044 0.03547 0.00014 -0.00136 0.00027 -0.00053 0.00719 0.00025 -0.00902 -0.00146 -0.00483 -0.03338 -0.06643 -0.00439 0.07383 0.00855 0.00695 -0.01913 -0.00845 -0.00574 0.00086 0.06029 -0.00965 -0.00246 0.00944 0.00602 -0.00498 -0.00305 0.00318 0.00188 0.00511 -0.02436 0.06920 -0.00252 -0.07735 0.00719 0.00216 0.02096 -0.00743 0.00372 0.00119 -0.11555 -0.00035 0.00226 -0.00063 0.00564 -0.02969 0.00056 0.01563 0.01289 -0.00968 -0.05210 -0.10621 -0.00713 0.12152 0.01602 0.00755 -0.03579 -0.01512 -0.01165 0.00093 0.08989 -0.01518 -0.00412 0.01533 0.00419 -0.02349 -0.00505 0.00851 0.00013 0.01019 -0.03866 0.11065 -0.00425 -0.12751 0.01207 -0.00262 0.03675 -0.01290 0.00235 -0.00151 -0.18502 0.00333 0.00095 -0.00476 -0.09535 -0.10599 -0.07575 0.14800 0.07838 0.00196 -0.06201 -0.10426 -0.01413 0.11301 -0.08495 -0.02285 -0.09192 -0.08157 0.08158 0.00246 0.03349 -0.01552 -0.00969 0.01327 0.09801 0.09155 -0.02780 -0.05409 0.12513 -0.01214 -0.05474 0.11598 -0.01082 -0.11540 -0.06416 -0.01266 -0.00054 -0.08521 0.12681 -0.00482 -0.13589 0.01209 0.00438 -0.00724 -0.37131 -2.80336 -0.53410 -4.41844 -2.15932 0.01921 -0.02655 -0.01843 -0.00095 0.00553 -0.01267 -0.89774 -0.72880 -1.20560 -0.07658 -0.00786 -0.02084 0.00450 0.00229 0.00347 0.16034 0.84755 0.64502 -1.68568 -0.07512 -0.01518 -0.02873 0.01996 0.00041 -0.01225 0.01710 -0.91544 -0.12642 -1.32877 0.13790 0.00257 -0.00567 0.00824 -0.00357 -0.00524 0.00018 0.00083 -0.00087 0.00438 -0.00412 -0.00348 -0.00742 0.00327 -0.00569 0.00084 0.00315 0.00400 -0.00109 -0.00423 0.00392 0.02396 0.01035 -0.02119 0.00219 -0.00861 -0.00001 0.00096 -0.00036 -0.00444 0.00484 0.00372 -0.01298 -0.00994 -0.00765 0.00104 0.00005 0.00045 0.00158 0.00824 -0.00611 -0.02139 0.00816 0.01817 0.00212 0.00857 -0.00021 0.00030 -0.00091 -0.00158 0.00533 0.00019 0.00099 -0.00006 0.00143 -0.00007 -0.00499 -0.00475 -0.00028 0.01059 -0.00013 0.00032 0.00162 -0.00010 0.00238 -0.00012 -0.00840 -0.00812 -0.00045 0.01772 -0.00019 0.00477 -0.00295 0.04105 -0.00877 -0.04074 0.00031 -0.00013 0.01178 -0.00257 0.00481 0.00042 -0.01184 0.00583 0.00676 -0.00512 0.00559 0.00614 0.00325 0.00026 -0.00655 -0.00646 -0.00432 -0.04260 -0.00876 0.04274 0.00130 0.00081 -0.01407 0.00005 0.00201 -0.00106 -0.00562 0.00031 -0.00826 0.00039 0.02995 0.03184 0.00113 -0.05957 -0.00029 0.00687 -0.00341 0.05888 -0.01238 -0.05851 -0.00033 0.00083 0.01880 0.00114 0.00641 0.00052 -0.01681 0.00842 0.00990 -0.00730 0.00840 0.01261 0.00517 -0.00049 -0.00771 -0.00930 -0.00539 -0.06110 -0.01235 0.06142 0.00005 0.00206 -0.02063 0.00473 0.00231 -0.00227 -0.00882 0.00095 -0.00954 0.00095 0.03043 0.00953 0.00485 -0.12514 0.01608 0.00686 -0.00454 0.05964 -0.01199 -0.06064 0.00578 -0.00603 0.00898 -0.04720 0.01474 0.00101 -0.01694 0.00825 0.00923 -0.00782 0.00572 -0.00834 0.00384 0.00502 -0.02142 -0.00932 -0.00651 -0.06175 -0.01213 0.06377 0.01185 -0.00437 -0.02220 -0.04084 0.00997 -0.00334 -0.03173 0.00246 -0.01923 0.00126 -0.07777 0.14939 -0.10838 -0.02610 0.09301 -0.00608 -0.00608 0.02877 -0.00670 -0.02426 -0.05207 0.07190 0.03883 0.17274 -0.01464 -0.00046 -0.00541 0.00379 0.00546 -0.00324 0.00703 0.09435 0.01229 -0.00325 0.07728 0.00281 -0.00652 -0.02788 -0.00668 0.02725 -0.07404 0.07490 -0.02486 0.16241 -0.02328 0.00010 0.00004 0.00134 -0.00006 -0.00210 0.00003 -0.00037 0.00076 0.00021 0.00015 -0.00005 0.00059 0.00014 0.00002 -0.00010 0.00012 -0.00063 -0.00017 -0.00075 0.00107 0.00047 0.00081 -0.00070 0.00004 0.00014 0.00045 0.00034 -0.00011 -0.00010 -0.00074 0.00001 -0.00007 -0.00091 -0.00016 0.00124 0.00008 -0.00042 -0.00040 0.00007 -0.00019 -0.00046 0.00073 0.00047 0.00002 0.00019 0.00034 0.00008 0.00022 0.00012 -0.00060 1 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 2 H 1S 2S 3S 4S 5PX 5PY 5PZ 3 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 B 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 7 H 1S 2S 3S 4S 5PX 5PY 5PZ 8 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 H 1S 2S 3S 4S 5PX 5PY 5PZ 14 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 15 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 1 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|2 H 1S|2S|3S|4S|5PX|5PY|5PZ|3 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 B 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|7 H 1S|2S|3S|4S|5PX|5PY|5PZ|8 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 H 1S|2S|3S|4S|5PX|5PY|5PZ|14 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|15 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 1.10438 0.88470 0.19757 0.24009 0.20113 0.74703 0.47688 0.52295 0.48243 0.46105 0.27010 0.20268 0.28852 0.15050 0.03593 0.00902 0.03387 0.01013 0.01186 0.01871 0.01419 0.01737 0.27148 0.49038 0.06927 -0.02977 0.00887 0.00743 0.00975 1.10472 0.88463 0.18888 0.23692 0.18105 0.77013 0.46657 0.53480 0.45174 0.50584 0.23705 0.15767 0.23745 0.06454 -0.01624 -0.05096 -0.01064 0.01469 0.01470 0.01635 0.02033 0.01653 1.09523 0.89614 0.27796 0.24585 0.28141 0.84367 0.63218 0.57114 0.63720 0.61485 0.44587 0.27863 0.46056 -0.18547 -0.04703 -0.01588 -0.04922 0.00810 0.00368 0.00933 0.00822 0.01001 1.09560 0.89567 0.23433 0.29665 0.23773 0.88017 0.54473 0.64375 0.55139 0.80699 0.35467 0.35351 0.37886 -0.02278 -0.02040 -0.00737 -0.01467 0.00592 0.00337 0.00969 0.00753 0.01084 1.13177 0.85544 0.16544 0.16706 0.16630 0.58897 0.36976 0.37327 0.37086 0.30014 0.19547 0.19902 0.20911 0.02995 0.00627 0.02116 0.01019 0.00336 0.01738 0.01870 0.00369 0.01968 0.25713 0.54443 0.32989 0.02147 0.00399 0.00381 0.00422 1.10433 0.88501 0.22411 0.18615 0.22814 0.73552 0.53247 0.46576 0.53883 0.47529 0.31727 0.16871 0.33700 0.12241 -0.00157 -0.01784 0.01332 0.00989 0.01150 0.01100 0.01227 0.01833 0.27216 0.48329 0.05231 -0.00380 0.00965 0.00664 0.00536 0.27166 0.47889 0.05609 0.00724 0.00810 0.00349 0.01077 0.27227 0.48430 0.04306 -0.01141 0.00730 0.00409 0.01011 0.25709 0.54449 0.32998 0.02097 0.00358 0.00453 0.00390 0.25785 0.54569 0.35579 0.00629 0.00415 0.00334 0.00432 1.10453 0.88485 0.19207 0.23852 0.19074 0.75829 0.47254 0.50884 0.47294 0.26098 0.09897 0.06864 0.12770 0.00327 0.04437 0.02633 0.04957 0.03188 0.03412 0.04486 0.04421 0.04380 1.07786 0.91682 0.37145 0.42839 0.37658 1.08290 0.75366 0.84244 0.76146 0.89248 0.52428 0.63120 0.53464 -0.02428 0.00889 0.02053 0.01020 0.00107 0.00223 0.00047 0.00095 0.00051 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 C H C N N B H C H H H H H C F -0.381091 0.172598 -0.026749 -0.022418 -0.246190 -0.222975 -0.164939 -0.377922 0.174390 0.163746 0.190278 -0.164544 -0.177435 0.297987 -0.214735 -1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 3 4 5 6 8 14 15 C C N N B C C F -0.208493 -0.026749 -0.022418 -0.246190 -0.729894 0.150492 0.297987 -0.214735 -1.00000 91.085 -9.254 118.397 14.526 -2.196 88.016 82.218 -3.101 103.742 11.130 1.928 81.032 -36.5642 -30.0126 0.0004 0.0006 0.0009 22.7595 64.3764 130.1812 188.6546 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 63.6816 129.9366 187.1699 205.1099 249.1029 289.6961 332.6562 513.6992 537.9303 635.4563 660.0860 664.4375 704.8783 817.8120 867.3432 908.0862 974.1439 1068.7171 1136.9965 1150.0766 1158.8649 1181.7509 1192.7047 1211.9951 1264.3029 1374.8838 1458.6015 1492.2309 1504.3817 1536.0780 1575.4646 1620.8007 2269.8079 2308.9651 2320.5440 3044.6864 3112.6778 3156.5282 3259.1378 1.1595 2.3023 1.1135 3.3839 2.6026 4.0280 5.9299 4.0784 3.9696 2.1099 6.7212 2.4477 2.8381 4.1025 1.5964 1.7649 6.7534 1.7450 1.3717 1.2858 1.0753 1.3173 1.4075 2.2633 5.2944 5.7566 1.3058 1.0410 1.3577 3.3212 4.7712 7.9577 1.0816 1.0953 1.0654 1.0363 1.1034 1.1020 1.0972 0.0028 0.0229 0.0230 0.0839 0.0952 0.1992 0.3866 0.6341 0.6768 0.5020 1.7254 0.6367 0.8308 1.6166 0.7076 0.8575 3.7759 1.1743 1.0448 1.0020 0.8509 1.0839 1.1797 1.9588 4.9862 6.4113 1.6368 1.3658 1.8103 4.6171 6.9774 12.3167 3.2833 3.4404 3.3802 5.6602 6.2987 6.4692 6.8668 0.4745 1.6668 0.7882 1.5552 5.0263 6.5337 0.3656 0.6761 4.6769 14.6079 25.3644 49.3752 4.3594 44.8960 14.2296 11.2039 2.3771 6.2032 98.7089 4.6506 9.7254 69.0933 32.0879 17.6129 85.4836 52.5175 22.2170 13.0819 27.3500 122.9338 95.7997 302.5167 455.8567 525.8338 461.7941 93.1357 30.1414 10.7623 5.2601 0.04 0.00 -0.04 0.07 0.01 -0.08 0.00 -0.00 -0.00 0.05 0.01 -0.05 -0.02 -0.00 0.02 -0.01 -0.00 0.01 -0.00 -0.01 0.02 -0.04 -0.01 0.03 -0.03 0.11 0.60 0.40 0.11 -0.28 -0.50 -0.26 -0.18 -0.02 0.01 0.01 -0.02 0.00 0.02 0.00 0.00 0.00 -0.01 0.00 0.02 0.11 0.01 -0.12 0.15 0.01 -0.16 0.03 -0.00 -0.04 0.11 0.01 -0.12 -0.00 -0.00 -0.01 -0.10 0.00 0.12 0.00 -0.06 0.26 -0.11 -0.02 0.14 -0.25 0.10 -0.12 -0.44 -0.03 0.38 0.17 -0.17 0.39 -0.21 0.05 0.06 -0.20 0.02 0.20 0.03 0.00 -0.04 -0.02 0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.02 0.00 -0.03 -0.00 0.01 0.01 0.42 0.37 0.08 0.03 0.01 -0.03 0.06 -0.02 -0.02 0.06 0.01 -0.05 0.02 0.04 -0.05 -0.04 -0.31 -0.41 -0.43 -0.03 0.45 0.00 -0.00 -0.01 -0.04 -0.00 0.04 0.01 0.03 0.00 0.13 0.05 -0.13 -0.10 0.01 0.14 0.09 0.02 -0.09 -0.18 -0.01 0.22 0.08 -0.03 -0.15 0.18 0.36 -0.38 -0.06 -0.01 0.02 -0.15 0.08 -0.10 -0.20 -0.05 0.12 0.05 -0.09 0.12 0.26 -0.36 -0.37 -0.01 -0.12 0.02 -0.03 -0.00 0.05 0.12 0.00 -0.10 -0.04 -0.08 -0.04 -0.01 -0.09 -0.06 -0.06 -0.07 -0.03 -0.02 -0.05 -0.02 -0.09 -0.05 -0.02 0.11 0.19 0.08 0.25 0.21 0.18 0.14 0.03 0.14 0.24 -0.08 0.23 0.15 0.24 0.14 0.20 -0.01 0.19 0.30 0.16 0.23 -0.02 0.49 -0.05 -0.07 -0.03 -0.03 -0.02 0.01 -0.08 0.04 -0.09 0.02 0.09 -0.15 0.04 -0.01 -0.10 -0.02 0.04 -0.06 0.05 -0.05 -0.06 -0.02 0.09 0.06 0.08 0.21 0.05 0.18 -0.15 -0.16 -0.16 -0.27 -0.04 -0.30 -0.16 -0.44 -0.16 -0.21 -0.09 -0.23 0.20 0.05 0.19 -0.01 0.27 -0.00 0.01 -0.00 0.03 0.02 0.30 0.03 0.21 0.04 -0.21 0.25 0.05 -0.26 0.18 0.03 -0.17 -0.22 -0.02 0.22 -0.06 -0.00 0.09 -0.05 -0.03 0.02 0.10 -0.18 0.27 -0.03 0.01 0.02 0.08 -0.13 0.04 0.09 -0.00 -0.07 -0.09 0.21 -0.10 -0.35 0.09 -0.12 -0.20 -0.10 0.23 -0.21 -0.03 0.22 0.15 0.00 -0.15 -0.09 0.14 -0.07 -0.23 0.34 -0.18 0.07 0.15 0.09 -0.09 -0.15 -0.10 0.12 -0.10 0.08 -0.04 0.03 -0.03 -0.22 0.04 -0.19 0.08 -0.14 0.05 0.21 -0.28 0.16 0.06 0.14 0.09 0.20 -0.17 0.15 -0.20 0.02 -0.20 0.12 -0.30 0.10 -0.01 -0.18 -0.02 -0.03 0.19 0.00 0.04 -0.01 0.04 0.10 -0.12 0.10 -0.09 0.03 -0.09 0.07 -0.04 0.06 -0.01 -0.05 -0.02 -0.26 0.27 -0.21 -0.25 0.27 -0.21 0.04 -0.11 0.02 0.01 -0.08 -0.01 0.05 -0.18 0.01 0.01 -0.09 -0.01 -0.27 0.29 -0.19 -0.30 0.36 -0.24 0.06 -0.01 0.06 0.11 -0.04 0.10 -0.07 -0.01 0.08 -0.60 -0.08 0.63 0.12 0.02 -0.12 0.10 0.01 -0.10 -0.04 0.00 0.04 0.03 0.00 -0.03 0.10 -0.17 0.17 0.02 -0.01 -0.01 -0.03 0.06 -0.01 -0.02 -0.00 0.01 0.03 -0.10 0.03 -0.18 0.14 -0.06 -0.03 -0.01 0.04 -0.11 -0.01 0.11 0.00 0.00 -0.02 -0.14 -0.05 -0.17 -0.27 -0.13 0.03 -0.06 -0.09 -0.05 -0.13 0.08 -0.15 0.00 -0.23 -0.04 0.01 -0.04 0.01 0.03 -0.02 0.01 -0.10 0.32 -0.05 0.02 0.19 0.06 -0.13 0.58 -0.02 0.02 0.25 0.06 0.07 -0.07 0.04 0.00 0.01 -0.02 0.08 -0.12 0.09 0.24 0.05 0.24 0.15 0.02 -0.14 -0.48 -0.08 0.53 -0.11 -0.01 0.12 0.02 -0.00 -0.00 0.10 0.03 -0.11 -0.04 -0.00 0.05 -0.14 0.29 -0.28 0.00 -0.02 -0.00 0.00 -0.02 -0.01 0.01 -0.03 -0.01 -0.00 -0.00 -0.01 0.29 -0.24 0.07 0.09 0.02 -0.10 -0.12 -0.01 0.11 -0.01 -0.00 -0.02 -0.11 -0.02 0.11 0.62 0.08 -0.66 -0.02 -0.01 0.02 0.08 0.02 -0.09 0.12 0.02 -0.13 -0.00 -0.00 0.01 -0.02 0.00 -0.01 0.01 0.00 -0.01 -0.02 0.03 -0.02 -0.01 0.01 0.00 0.03 -0.04 0.02 0.01 -0.00 0.02 -0.02 -0.00 0.02 -0.20 -0.02 0.21 0.02 0.00 -0.01 0.11 -0.10 0.10 0.27 -0.30 0.20 0.09 -0.04 0.06 0.06 0.03 0.04 0.09 -0.19 0.06 -0.04 0.14 -0.01 -0.30 0.16 -0.25 -0.07 0.24 -0.02 -0.12 0.30 -0.07 -0.06 0.12 -0.03 -0.11 0.24 -0.06 -0.25 0.13 -0.24 0.10 -0.17 0.08 0.02 -0.14 0.01 -0.15 0.04 -0.14 0.02 0.04 0.02 -0.03 0.10 0.00 0.00 -0.01 0.04 -0.01 -0.01 -0.01 0.08 -0.00 0.07 -0.07 -0.11 -0.11 0.35 -0.11 0.27 -0.02 0.04 -0.01 0.00 0.02 0.01 -0.02 0.08 -0.00 0.01 0.03 0.01 0.17 0.01 0.27 -0.43 0.59 -0.31 0.01 -0.05 0.01 -0.03 0.02 -0.03 -0.04 0.00 0.04 0.05 0.03 -0.07 0.13 0.01 -0.13 -0.00 -0.00 -0.00 -0.02 0.00 0.04 -0.13 -0.04 0.12 -0.14 0.48 -0.36 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 0.00 -0.02 0.00 0.46 -0.44 0.15 0.12 0.14 -0.27 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.11 -0.35 -0.15 -0.09 -0.40 -0.14 0.08 -0.22 0.05 -0.09 -0.04 -0.09 0.21 0.33 0.25 -0.03 0.10 -0.03 -0.25 0.13 -0.22 -0.03 -0.02 -0.03 0.05 -0.10 0.04 -0.05 0.15 -0.01 0.06 -0.06 0.04 -0.28 0.16 -0.20 -0.06 0.07 -0.01 -0.02 0.10 -0.01 0.01 0.03 0.02 0.13 0.00 0.13 0.22 -0.11 0.19 0.01 0.01 0.01 -0.05 -0.05 -0.06 -0.04 0.04 -0.03 0.01 0.00 0.01 -0.02 0.02 -0.02 -0.09 -0.03 -0.09 0.23 -0.35 0.25 -0.13 0.68 -0.03 0.28 -0.09 0.18 -0.02 0.02 -0.01 0.00 0.00 0.01 -0.01 0.02 -0.02 0.01 -0.00 0.01 0.02 -0.01 0.02 -0.25 0.38 -0.17 0.09 -0.04 0.07 0.00 -0.01 -0.01 -0.06 -0.01 -0.06 0.07 -0.05 0.03 -0.29 0.15 -0.41 -0.01 0.01 0.02 0.00 -0.02 -0.05 0.03 -0.03 -0.02 -0.04 0.11 -0.04 -0.34 0.20 -0.08 -0.32 0.42 -0.01 -0.01 0.02 -0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.00 0.05 -0.09 0.04 0.01 0.02 0.01 0.04 0.02 -0.05 -0.00 0.00 0.00 -0.02 -0.00 0.00 0.12 0.04 0.08 -0.09 -0.02 0.10 0.23 -0.49 -0.18 0.27 -0.09 -0.17 -0.05 0.66 -0.15 -0.05 -0.02 -0.06 0.12 -0.02 -0.12 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 0.07 -0.12 0.07 -0.00 0.02 -0.03 0.01 0.01 -0.01 0.01 -0.00 0.02 0.03 0.01 -0.04 -0.36 -0.17 -0.21 -0.01 -0.01 0.02 0.05 -0.10 -0.03 0.05 -0.02 -0.03 -0.00 0.11 -0.02 0.38 0.04 0.38 -0.44 -0.09 0.50 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.04 -0.01 0.04 -0.35 0.56 -0.25 0.00 -0.09 -0.01 0.03 -0.04 0.01 0.00 0.01 0.00 -0.04 0.10 -0.02 -0.14 -0.36 0.24 -0.03 0.03 -0.01 0.03 -0.04 -0.01 0.00 0.08 -0.03 0.01 0.09 -0.00 0.31 -0.32 -0.17 0.05 -0.12 0.05 0.00 0.03 0.01 -0.00 -0.00 -0.00 0.03 -0.05 0.02 -0.14 0.19 -0.10 0.07 -0.00 0.06 -0.01 -0.05 -0.01 -0.04 0.03 -0.04 -0.08 0.01 -0.08 0.36 0.37 0.03 0.00 0.04 0.01 -0.06 0.11 -0.05 -0.01 -0.03 0.01 -0.07 0.04 -0.04 0.09 0.35 0.49 0.12 -0.44 0.15 -0.04 -0.01 -0.04 0.02 -0.00 0.02 0.03 -0.04 0.03 0.23 -0.32 0.17 0.11 0.10 0.11 -0.06 -0.07 -0.05 -0.07 0.08 -0.06 -0.02 0.05 -0.01 -0.18 -0.38 0.19 0.05 0.04 0.04 -0.17 0.28 -0.15 0.01 -0.19 0.05 -0.19 0.04 -0.12 0.22 -0.35 -0.25 -0.09 0.19 -0.08 -0.10 -0.09 -0.11 0.05 0.00 0.05 -0.12 -0.09 -0.13 -0.01 -0.26 -0.05 0.27 0.03 0.26 -0.02 0.20 0.03 -0.11 -0.11 -0.12 -0.11 0.07 -0.09 0.04 -0.19 0.27 -0.01 -0.12 -0.05 0.16 -0.28 0.23 -0.04 0.12 -0.01 0.25 -0.22 0.17 0.31 -0.16 0.01 -0.06 -0.03 -0.05 0.15 0.12 0.15 -0.06 -0.01 -0.06 -0.18 -0.02 -0.18 -0.10 -0.19 -0.12 0.02 0.15 0.03 0.32 -0.21 0.27 -0.05 0.10 -0.04 0.02 -0.03 0.01 -0.02 -0.03 -0.03 -0.15 0.11 -0.11 0.07 -0.05 0.35 -0.08 0.41 -0.14 0.38 0.17 0.21 -0.03 -0.03 -0.02 -0.04 0.10 -0.02 -0.04 -0.10 -0.06 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.04 0.03 -0.03 -0.00 -0.01 -0.00 0.01 0.05 0.02 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.03 -0.14 0.01 -0.39 0.41 -0.04 -0.00 0.63 0.06 0.02 0.45 -0.22 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.00 0.03 -0.20 0.12 -0.46 0.56 0.14 -0.39 0.25 -0.29 0.31 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.01 0.03 0.01 0.02 0.04 0.02 0.02 -0.06 0.01 -0.01 0.08 0.00 0.02 -0.02 0.02 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.03 -0.03 -0.04 -0.07 0.18 0.52 0.13 -0.45 -0.15 0.54 0.25 0.24 -0.00 0.01 -0.00 0.00 -0.02 0.00 -0.08 -0.03 -0.08 0.02 0.00 0.02 0.06 -0.19 0.03 -0.17 0.09 -0.14 -0.09 0.23 -0.05 -0.07 -0.10 -0.08 -0.03 0.05 -0.02 0.02 -0.04 0.02 0.01 -0.04 0.01 -0.01 0.00 -0.01 -0.23 0.39 0.33 0.14 -0.29 -0.11 0.36 0.39 0.09 0.02 -0.04 0.01 -0.00 0.05 0.00 0.19 0.00 0.18 -0.04 0.00 -0.04 -0.08 0.31 -0.03 0.37 -0.28 0.31 0.07 -0.29 0.03 -0.03 -0.20 -0.06 -0.08 0.13 -0.06 -0.02 0.04 -0.01 -0.02 0.05 -0.01 0.01 0.02 0.01 -0.22 0.35 0.12 0.06 -0.08 -0.02 0.12 0.36 -0.05 -0.02 0.05 -0.01 0.02 -0.09 0.01 0.17 -0.03 0.16 -0.03 0.00 -0.03 -0.04 0.04 -0.03 0.17 -0.28 0.13 0.05 0.06 0.05 -0.00 -0.30 -0.06 0.11 -0.30 0.07 -0.01 -0.01 -0.01 0.00 -0.02 0.02 -0.01 0.04 0.00 -0.21 0.29 0.10 0.01 -0.02 -0.01 0.06 0.36 -0.10 0.03 -0.02 -0.01 -0.02 0.06 -0.02 -0.15 0.59 -0.07 0.02 -0.03 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.04 -0.05 -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 -0.02 0.59 0.51 0.62 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.06 -0.02 -0.07 -0.51 0.50 0.60 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.18 -0.25 0.18 0.02 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.07 0.02 -0.21 0.18 0.25 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.50 0.60 -0.49 -0.02 -0.03 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -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 0.42 0.32 -0.09 -0.23 0.01 -0.32 -0.39 0.22 0.60 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.07 -0.02 0.06 0.59 0.46 -0.10 -0.12 0.00 -0.14 0.32 -0.20 -0.50 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 -0.02 -0.07 0.29 0.22 -0.07 0.53 -0.03 0.73 -0.11 0.05 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 -0.06 -0.05 0.50 0.65 0.56 -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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 6 1 6 7 7 5 1 6 1 1 1 1 1 6 9 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 6 1 6 7 7 5 1 6 1 1 1 1 1 6 9 12.00000 1.00783 12.00000 14.00307 14.00307 11.00931 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 18.99840 113.06863 458.68291 1082.57644 1515.32563 0.61494 0.38344 -0.68908 -0.60789 0.78712 -0.10449 0.50232 0.48313 0.71711 asymmetric 1 0.18883 0.08001 0.05716 3.93462 1.66708 1.19099 287949.7 91.62 186.95 269.30 295.11 358.40 416.81 478.62 739.10 773.96 914.28 949.72 955.98 1014.16 1176.65 1247.91 1306.53 1401.58 1537.65 1635.88 1654.70 1667.35 1700.28 1716.04 1743.79 1819.05 1978.15 2098.60 2146.99 2164.47 2210.07 2266.74 2331.97 3265.75 3322.09 3338.75 4380.62 4478.45 4541.54 4689.17 0.109674 0.117766 0.118710 0.076928 -390.776521 -390.768429 -390.767484 -390.809267 73.899 29.005 87.938 0.000 0.000 0.000 0.889 2.981 40.084 0.889 2.981 28.111 72.122 23.043 19.743 1 0.597 1.972 4.340 2 0.612 1.923 2.947 3 0.632 1.857 2.256 4 0.640 1.833 2.087 5 0.662 1.764 1.737 6 0.686 1.693 1.476 7 0.715 1.610 1.247 8 0.869 1.220 0.625 9 0.893 1.166 0.570 0.412520e-35 -35.384555 -81.475949 0.115357e+16 15.062045 34.681639 0.281121e-48 -48.551106 -111.793054 1 0.324131e+01 0.510720 1.175976 2 0.156898e+01 0.195618 0.450428 3 0.107039e+01 0.029542 0.068023 4 0.970218e+00 -0.013131 -0.030235 5 0.783830e+00 -0.105778 -0.243563 6 0.660225e+00 -0.180308 -0.415174 7 0.560759e+00 -0.251224 -0.578464 8 0.316030e+00 -0.500272 -1.151920 9 0.295103e+00 -0.530027 -1.220432 0.786128e+02 1.895493 4.364535 1 0.377964e+01 0.577451 1.329630 2 0.214673e+01 0.331777 0.763944 3 0.168141e+01 0.225674 0.519634 4 0.159148e+01 0.201800 0.464663 5 0.142973e+01 0.155253 0.357482 6 0.132819e+01 0.123260 0.283817 7 0.125130e+01 0.097361 0.224183 8 0.109150e+01 0.038025 0.087555 9 0.108059e+01 0.033661 0.077508 0.100000e+01 0.000000 0.000000 0.472571e+08 7.674467 17.671114 0.310516e+06 5.492084 12.645991 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -17.2713 6.0251 -5.2473 19.0298 -122.4358 -46.4301 -66.5127 17.4910 -24.8332 4.8700 -43.9762 32.0294 11.9468 17.4910 -24.8332 4.8700 -680.0820 -118.6710 -73.1665 -124.6287 5.1245 -121.1930 -178.5052 -44.9714 -20.9850 18.2547 -3651.6646 -922.4826 -476.7771 -15.8772 -738.5410 -151.2139 59.9633 -393.6396 72.6433 -586.0535 -667.7476 -249.0108 91.9343 -109.0353 -44.7439 0 -390.8861949 2.576E-9 1.203E-5 0.1096742 0.1177663 -390.7684286 -390.7674844 -390.8092665 -32.6952474,23.8130917,8.8821557,13.004157,-18.4628427,3.6207577 C01 [X(C4H7B1F1N2)] -2.7075457 4.7398555 -1.9218452 -0.0161553 -0.2756074 0.2336495 -0.0794338 -0.0670881 -0.050294 0.2582104 -0.2674682 -0.0771599 0.1079727 -0.0379101 -0.1042885 -0.0510482 -0.0135917 -0.0782379 -0.1054816 -0.0634112 0.1001188 0.1147682 -0.1316752 0.3107698 -0.0687683 0.1414631 -0.01977 0.3258967 -0.0813472 0.06074 -0.3170551 0.3825837 -0.1418457 0.2030809 -1.239003 0.0119418 -0.1977429 0.3193236 -0.2642654 -0.6600757 0.2114304 -0.2802061 0.192641 -0.8791029 0.1070726 -0.2916652 0.1256421 -0.5885293 0.4869567 0.0264299 -0.0250307 0.093932 0.4967142 0.0785689 -0.024241 0.0230682 0.5125914 -0.3582665 0.2333922 0.1160444 0.19499 -0.3402068 -0.1052661 0.1988975 -0.1866291 -0.3856032 0.2903813 -0.1498711 -0.0827806 -0.1779436 0.8036438 -0.0400999 -0.0780993 -0.0749925 0.2432723 -0.0596026 -0.1461013 0.0427546 -0.0122253 -0.1124392 0.0282461 0.0242956 0.0234158 0.0870082 0.0265034 0.0674827 -0.084217 0.0045158 0.0317056 -0.0276554 -0.0991244 0.0524832 -0.0276256 0.0015827 0.1120899 0.0767718 0.0623061 -0.0987678 0.008484 0.1284146 -0.1196913 -0.0645916 -0.3287959 -0.1811865 0.1519111 -0.0996067 -0.4316694 0.2182822 0.0780929 0.2582854 -0.3228635 -0.357841 -0.0709168 -0.2054237 -0.1754882 -0.3247378 -0.1859337 -0.219052 -0.0894902 -0.3631609 0.9777286 -0.101198 0.7037394 -0.1749739 1.3464033 -0.0070156 0.7111541 0.0401882 0.9287338 -0.9081016 0.0610577 -0.7118482 0.0880224 -0.3133232 0.0616769 -0.7095555 0.0406232 -0.8386653 91.08482|-9.2540036|118.3967874|14.5264357|-2.1960831|88.0160634 0.000004874 0.000002588 -0.000007562 0.000009584 0.000006975 -0.000016692 0.000005489 0.000002495 0.000000422 -0.000007168 -0.000002641 0.000000919 -0.000004111 -0.000003379 0.000013659 0.000016646 0.000008572 -0.000006387 0.000009719 0.000004807 -0.000012795 -0.000010846 -0.000004183 0.000001638 -0.000015135 -0.000004797 -0.000012602 -0.000022781 -0.000011089 0.000008035 -0.000002397 -0.000002207 0.000005792 0.000026575 0.000011930 0.000005179 0.000024279 0.000013582 -0.000018291 -0.000012607 -0.000008770 0.000013456 -0.000022123 -0.000013883 0.000025228 105.86560320000001 AuxInfo=1/0/N:8,1,3,14,6,15,5,4/CRV:2.3,3.3,4.3,5.4,7.2/rA:15nC3HC3NN2B4HCHHHHHC3F/rB:s1;s1;s1;s3;s3;s6;s4;s8;s8;s8;s6;s6;s4s5;s14;/rC:2.9485,1.744,.886;3.4934,2.4448,1.4997;3.0291,.38,.7832;1.9673,2.1906,-.0051;2.0797,-.0275,-.1833;3.9981,-.6366,1.5709;4.6961,-1.2698,.7731;1.5018,3.5427,-.2023;2.3527,4.209,-.3595;.8622,3.5795,-1.0836;.9311,3.8912,.6631;3.3349,-1.4421,2.2315;4.7291,.007,2.3328;1.5173,1.0595,-.5773;.5464,1.1378,-1.4977;