Gaussian 16 GINC-IRENE3239 ZOUBRITL MeQClBF2-H+ ES64L-G16RevC.01 2-Mar-2021 Gaussian 16 3-Jul-2019 ES64L-G16RevC.01 RwB97XD GenECP FOpt # opt=maxstep=10 freq wb97xd/genecp scrf=(solvent=toluene,pcm) nosymm pop=(regular,orbitals=20) optcyc=300 scfcyc=300 162.3130064 1 1 AuxInfo=1/0/N:8,2,1,6,14,12,13,5,4,3/E:(6,7)/CRV:2.3,3.3,9.2/rA:14nC3C3NN2NBHCHHHFFCl/rB:s1;s1;s3;s2s4;s2;s5;s3;s8;s8;s8;s6;s6;s1;/rC:2.5993,1.6353,1.1505;3.1564,.4334,.7905;2.0669,2.1531,.019;2.2476,1.3737,-1.013;2.8964,.3538,-.5431;3.915,-.6605,1.6077;3.1544,-.3893,-1.1832;1.3236,3.4065,-.1367;1.2298,3.6026,-1.2011;.3407,3.2908,.3164;1.8811,4.2033,.3499;4.1526,-.4667,3.0351;4.3689,-1.8659,.9203;2.517,2.4569,2.7048; /ccc/products/gaussian-16-C.01/system/default/g16/g16 Output=MeQClBF2-H+.log nprocshared=64 mem=30GB chk=MeQClBF2-H+.chk # opt=maxstep=10 freq wb97xd/genecp scrf=(solvent=toluene,pcm) nosymm 1/6=300,8=10,18=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=10,18=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=10,18=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 MeQClBF2-H+ Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 1 1 1 2 2 3 3 4 5 6 6 8 8 8 2 3 14 5 6 4 8 5 7 12 13 9 10 11 1.3728 1.3534 1.76 1.3611 1.562 1.3059 1.4655 1.2969 1.0142 1.46 1.46 1.0864 1.0885 1.0874 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 3 1 1 5 1 1 4 3 2 2 4 2 2 12 3 3 3 9 9 10 1 1 1 2 2 2 3 3 3 4 5 5 5 6 6 6 8 8 8 8 8 8 3 14 14 5 6 6 4 8 8 5 4 7 7 12 13 13 9 10 11 10 11 11 105.9852 131.2407 122.7741 103.3326 132.3058 124.3608 112.2063 127.9917 119.7798 104.6088 113.8671 127.7888 118.3424 119.8382 118.8764 121.2849 107.598 108.834 108.6133 110.4309 110.5113 110.7635 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 3 3 14 14 2 2 14 14 1 1 6 6 1 1 5 5 1 8 1 1 1 4 4 4 3 3 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 2 2 2 2 3 3 3 3 5 5 5 5 6 6 6 6 4 4 8 8 8 8 8 8 5 5 5 6 5 6 4 8 4 8 4 7 4 7 12 13 12 13 5 5 9 10 11 9 10 11 2 7 0.0366 -179.6335 -179.9264 0.4035 -0.0464 178.2137 179.9205 -1.8195 -0.0178 179.4874 179.6867 -0.8082 -1.0269 178.7154 179.362 -0.8958 0.0348 -178.3854 168.4525 -71.8697 48.8019 -13.4035 106.2742 -133.0541 -0.0096 -179.5652 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 26 out of a maximum of 100 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00295 0.00617 0.01019 0.01239 0.02275 0.02510 0.04498 0.05115 0.07021 0.07766 0.07957 0.14338 0.15798 0.16420 0.16627 0.17192 0.24289 0.24666 0.25085 0.25489 0.26122 0.28306 0.31424 0.33972 0.35058 0.35331 0.35987 0.37143 0.40417 0.44610 0.45406 0.51241 0.51867 0.54938 0.63667 0.68753 -4.24970989e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 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 2.60588 2.57118 3.17899 2.57053 2.95177 2.47011 2.76797 2.44739 1.91766 2.46934 2.48240 2.05275 2.05689 2.05805 1.85475 2.28649 2.14195 1.79490 2.32255 2.16573 1.94878 2.23361 2.10071 1.83013 1.99622 2.22343 2.06353 2.09962 2.06564 2.11791 1.87019 1.89951 1.89824 1.93046 1.93222 1.93163 0.00033 3.13764 3.14030 -0.00558 -0.00279 -3.13044 3.14026 0.01261 0.00228 -3.14039 -3.13553 0.00498 -0.02322 3.12370 3.11334 -0.02294 0.00407 3.13293 -3.08689 -0.99888 1.10689 0.06972 2.15773 -2.01969 -0.00396 3.13860 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00003 -0.00004 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00001 0.00002 0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00002 -0.00001 0.00003 0.00000 -0.00002 0.00002 0.00002 0.00001 -0.00003 -0.00003 0.00002 0.00000 -0.00002 -0.00001 0.00003 -0.00001 -0.00002 -0.00001 0.00002 0.00002 -0.00001 0.00000 0.00003 0.00025 -0.00002 0.00020 -0.00002 -0.00011 0.00002 -0.00007 -0.00003 -0.00005 -0.00023 -0.00024 -0.00021 -0.00020 0.00005 0.00006 -0.00000 0.00008 -0.00024 -0.00024 -0.00023 -0.00034 -0.00034 -0.00033 0.00002 0.00004 -0.00002 -0.00004 -0.00002 0.00000 0.00004 -0.00002 0.00001 0.00001 -0.00000 0.00000 0.00004 0.00002 -0.00003 -0.00003 0.00004 -0.00004 0.00001 -0.00003 0.00002 0.00001 -0.00001 0.00015 -0.00014 -0.00000 0.00000 0.00004 -0.00004 0.00006 -0.00001 -0.00005 -0.00011 0.00006 0.00004 0.00004 -0.00001 -0.00002 -0.00015 -0.00017 -0.00021 -0.00024 0.00024 0.00005 0.00030 0.00011 0.00001 0.00008 0.00004 0.00010 -0.00032 -0.00033 -0.00035 -0.00036 -0.00023 -0.00005 0.00008 0.00010 0.00013 -0.00013 -0.00011 -0.00007 0.00013 0.00007 -0.00002 -0.00002 -0.00000 0.00001 0.00003 -0.00001 0.00001 0.00001 -0.00000 0.00001 0.00004 0.00002 -0.00003 -0.00002 0.00002 -0.00005 0.00003 -0.00002 -0.00001 0.00003 0.00001 0.00016 -0.00017 -0.00003 0.00002 0.00005 -0.00007 0.00004 0.00002 -0.00006 -0.00013 0.00005 0.00007 0.00006 -0.00002 -0.00002 -0.00012 0.00007 -0.00023 -0.00003 0.00023 -0.00005 0.00032 0.00004 -0.00002 0.00003 -0.00019 -0.00014 -0.00053 -0.00053 -0.00030 -0.00031 -0.00023 0.00003 -0.00016 -0.00014 -0.00010 -0.00046 -0.00045 -0.00040 0.00015 0.00011 2.60586 2.57116 3.17899 2.57054 2.95180 2.47010 2.76799 2.44740 1.91766 2.46934 2.48244 2.05277 2.05686 2.05803 1.85476 2.28644 2.14198 1.79487 2.32254 2.16576 1.94879 2.23377 2.10055 1.83010 1.99624 2.22347 2.06347 2.09967 2.06566 2.11785 1.87006 1.89955 1.89830 1.93051 1.93220 1.93161 0.00021 3.13771 3.14007 -0.00561 -0.00256 -3.13049 3.14058 0.01265 0.00226 -3.14036 -3.13572 0.00483 -0.02375 3.12316 3.11303 -0.02324 0.00384 3.13296 -3.08705 -0.99902 1.10679 0.06926 2.15729 -2.02009 -0.00381 3.13872 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000044 0.000010 0.000877 0.000235 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.122222e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 1 1 1 2 2 3 3 4 5 6 6 8 8 8 2 3 14 5 6 4 8 5 7 12 13 9 10 11 1.379 1.3606 1.6823 1.3603 1.562 1.3071 1.4647 1.2951 1.0148 1.3067 1.3136 1.0863 1.0885 1.0891 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 1 5 1 1 4 3 2 2 4 2 2 12 3 3 3 9 9 10 1 1 1 2 2 2 3 3 3 4 5 5 5 6 6 6 8 8 8 8 8 8 3 14 14 5 6 6 4 8 8 5 4 7 7 12 13 13 9 10 11 10 11 11 106.2691 131.0061 122.7247 102.8401 133.0723 124.0872 111.6567 127.9766 120.362 104.8584 114.3751 127.3931 118.2318 120.2995 118.3526 121.3472 107.154 108.8336 108.7609 110.6069 110.7079 110.6744 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 14 14 2 2 14 14 1 1 6 6 1 1 5 5 1 8 1 1 1 4 4 4 3 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 2 2 2 2 3 3 3 3 5 5 5 5 6 6 6 6 4 4 8 8 8 8 8 8 5 5 6 5 6 4 8 4 8 4 7 4 7 12 13 12 13 5 5 9 10 11 9 10 11 2 0.0188 179.7735 179.9258 -0.3195 -0.1596 -179.3608 179.9238 0.7226 0.1307 -179.9312 -179.6529 0.2851 -1.3302 178.9747 178.381 -1.3141 0.2332 179.5035 -176.8657 -57.2315 63.4199 3.9947 123.6288 -115.7197 -0.2271 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 No pseudopotential on this center. 3 7 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 9 No pseudopotential on this center. 13 9 No pseudopotential on this center. 14 17 No pseudopotential on this center. 14 14 14 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 162.3130064 AuxInfo=1/0/N:8,2,1,6,14,12,13,5,4,3/E:(6,7)/CRV:2.3,3.3,9.2/rA:14nC3C3NN2NBHCHHHFFCl/rB:s1;s1;s3;s2s4;s2;s5;s3;s8;s8;s8;s6;s6;s1;/rC:2.5993,1.6353,1.1505;3.1564,.4334,.7906;2.0669,2.1531,.019;2.2476,1.3737,-1.013;2.8964,.3538,-.5431;3.915,-.6605,1.6076;3.1544,-.3893,-1.1833;1.3236,3.4065,-.1367;1.2298,3.6026,-1.2011;.3407,3.2908,.3164;1.8811,4.2033,.3499;4.1526,-.4667,3.0351;4.3689,-1.8659,.9203;2.517,2.4569,2.7048; 0.000000 1.372778 0.000000 1.353416 2.177054 0.000000 2.207473 2.227756 1.305860 0.000000 2.144476 1.361071 2.059493 1.296900 0.000000 2.685279 1.561958 3.722277 3.712947 2.586888 0.000000 3.139023 2.138380 3.015258 1.989798 1.014164 2.905375 0.000000 2.534021 3.613599 1.465510 2.398746 3.457994 5.128178 4.342220 0.000000 3.357982 4.209831 2.071418 2.457555 3.710202 5.768341 4.431687 1.086423 0.000000 2.921904 4.039486 2.088627 3.013111 3.987000 5.482283 4.869157 1.088454 1.786233 0.000000 2.784131 4.004121 2.085082 3.162101 4.080105 5.419892 5.006397 1.087438 1.786269 1.790662 0.000000 3.222252 2.615455 4.506666 4.837694 3.880033 1.460000 4.335533 5.750210 6.561090 6.003361 5.846284 0.000000 3.929777 2.602668 4.718466 4.328123 3.039224 1.460000 2.842598 6.179746 6.652789 6.571350 6.584100 2.545005 0.000000 1.760000 2.857903 2.740116 3.881765 3.887884 3.588303 4.860427 3.224917 4.269198 3.337092 2.999987 3.366217 5.029958 0.000000 1.6251439 0.8731168 0.5700828 -14.66711 -10.53486 -10.47491 -10.42936 -9.71962 -7.47050 -7.45836 -7.45796 -7.11492 -1.40279 -1.38751 -1.37134 -1.20529 -1.11464 -1.03950 -0.99023 -0.90596 -0.85285 -0.80425 -0.75029 -0.74928 -0.70217 -0.68495 -0.67785 -0.65857 -0.64207 -0.62989 -0.60705 -0.59687 -0.59387 -0.58949 -0.56950 -0.56876 -0.52932 -0.51729 -0.47618 -0.11690 -0.08039 -0.03387 -0.01512 0.00216 0.01349 0.02241 0.03294 0.03698 0.03801 0.04603 0.05603 0.06507 0.07250 0.07566 0.07863 0.08442 0.09715 0.10174 0.10579 0.10910 0.11694 0.12394 0.12542 0.12965 0.13485 0.13761 0.15413 0.16164 0.16747 0.17142 0.18275 0.19118 0.19327 0.19404 0.21219 0.22593 0.22761 0.24180 0.24947 0.25515 0.25858 0.27434 0.27725 0.28589 0.30189 0.30833 0.31298 0.32456 0.32541 0.33566 0.34180 0.35030 0.36027 0.36464 0.38201 0.39219 0.42059 0.42922 0.43734 0.44767 0.45734 0.47092 0.47726 0.51025 0.51745 0.52367 0.53226 0.54814 0.58212 0.59138 0.60978 0.61297 0.62261 0.63256 0.65185 0.69687 0.71599 0.73928 0.74082 0.77325 0.78095 0.78548 0.79353 0.80739 0.83633 0.84038 0.85016 0.86643 0.86761 0.88583 0.90286 0.92329 0.93474 0.95593 0.96764 1.00874 1.02679 1.05579 1.12265 1.16289 1.18000 1.21353 1.23362 1.25364 1.25914 1.27290 1.30279 1.32143 1.34145 1.34572 1.35587 1.36627 1.39226 1.41406 1.42528 1.43429 1.44868 1.47664 1.52738 1.53872 1.55592 1.56786 1.62539 1.64253 1.72574 1.76411 1.78519 1.79870 1.81697 1.84088 1.86281 1.88893 1.94303 1.95781 1.97587 2.01521 2.07066 2.08342 2.09768 2.12835 2.23188 2.24584 2.25317 2.26694 2.27759 2.30265 2.40288 2.41579 2.44538 2.46672 2.48763 2.52081 2.54897 2.55840 2.57338 2.62652 2.66506 2.67501 2.69068 2.74999 2.78703 2.85612 2.90413 2.94946 2.97915 3.02267 3.11804 3.20343 3.28686 3.43571 3.52008 3.64720 3.65606 3.75188 3.75641 3.77893 3.79081 3.80243 3.83292 3.86045 3.88763 3.90044 3.92387 3.94911 3.97479 4.06070 4.08041 4.20594 4.43440 4.55496 4.75594 4.89476 4.97191 5.60529 6.30568 6.33589 6.36327 6.41089 6.42319 6.54689 9.79777 14.44096 23.63198 23.96466 24.05865 25.84688 26.15734 26.64852 35.38782 35.52949 35.61310 66.84348 66.85478 215.87839 37 38 39 40 41 42 43 44 45 46 O|O|O|O|O|V|V|V|V|V -0.56950 -0.56876 -0.52932 -0.51729 -0.47618 -0.11690 -0.08039 -0.03387 -0.01512 0.00216 0.00388 -0.01238 0.00014 0.00153 0.00002 0.00009 0.00034 -0.05170 0.00111 -0.02150 0.00633 -0.02023 0.00021 0.00263 0.00004 0.00014 0.00057 -0.08635 0.00114 -0.03606 0.11108 0.02902 -0.00066 -0.01554 -0.09711 0.06295 0.15250 -0.00602 0.00102 -0.00363 0.06143 0.01259 0.00120 0.02319 -0.05132 0.03444 0.08120 0.07598 -0.01410 0.02295 -0.01227 -0.04950 -0.00022 -0.00882 0.02196 -0.01448 -0.03683 0.14622 -0.01819 0.03498 -0.02021 0.06586 -0.00048 -0.00768 -0.00028 0.00018 -0.00144 0.25149 0.01965 0.11358 0.18589 0.04705 -0.00188 -0.02646 -0.15993 0.10279 0.24059 -0.01657 0.00227 -0.00705 0.10248 0.02177 0.00237 0.03979 -0.08445 0.05523 0.12759 0.13885 -0.02270 0.03721 -0.01887 -0.08724 -0.00036 -0.01360 0.03609 -0.02289 -0.05852 0.24363 -0.02750 0.05749 -0.02250 0.08802 0.01344 0.07224 0.00560 -0.02662 -0.01283 0.98405 -0.05628 0.25625 0.16602 0.02939 -0.00503 0.10916 -0.10897 0.16428 0.43016 0.02487 0.00754 -0.05168 0.07563 0.03427 -0.02861 -0.17848 -0.05989 0.09475 0.23448 0.09055 -0.03564 0.19732 -0.01301 -0.08712 0.00904 0.05905 0.02226 -0.03050 -0.09912 0.30822 -0.01086 0.20373 -0.10382 0.07640 0.07565 -0.54667 -0.05241 -0.13205 0.19483 4.86456 3.14529 -9.09529 -0.00989 0.03980 0.02458 -0.06133 0.00468 0.01298 0.27764 0.58991 0.24233 -1.23021 0.06372 -0.07804 -0.01717 0.21500 0.02171 0.07383 0.04416 -0.15512 -1.12111 3.43750 0.02186 -0.03656 0.03996 0.23509 -0.02246 -0.04483 -0.05888 2.22310 -1.41809 2.91096 -0.00036 -0.00742 0.00807 0.01993 -0.00880 0.00362 -0.00600 -0.02470 0.00932 -0.00187 0.00842 -0.00147 -0.01374 0.01576 0.02366 -0.00671 0.01509 0.00274 0.00519 -0.00385 0.00021 0.00507 -0.01313 -0.01648 0.00830 -0.00919 0.01051 -0.02423 0.00119 0.00456 -0.00471 -0.00453 -0.01536 0.01231 -0.01233 -0.02229 0.01071 0.00489 -0.00572 -0.00046 0.00668 -0.00089 0.00692 0.00752 0.01463 0.01277 -0.00294 -0.00165 -0.00894 0.00215 -0.00105 0.00235 0.00043 0.00612 0.00011 -0.00003 -0.00001 0.01440 -0.01452 0.00806 -0.00159 0.00343 0.00061 0.00922 0.00019 -0.00006 -0.00000 0.02385 -0.02447 0.01340 0.04685 -0.02906 -0.08657 0.01924 -0.11237 -0.09018 -0.02177 0.02210 0.00921 -0.00652 0.00038 0.05510 -0.04776 -0.03081 -0.05978 -0.04798 -0.01168 -0.03056 -0.00933 -0.00152 0.01490 -0.07315 0.01596 -0.03109 0.02516 0.02032 0.00522 0.02041 0.01782 -0.01771 0.00110 0.00152 -0.00024 -0.01778 -0.00070 0.00008 -0.00031 -0.07379 0.08305 -0.03962 0.07614 -0.03568 -0.14650 0.02421 -0.18478 -0.14147 -0.03370 0.03507 0.00956 -0.01351 0.00864 0.07350 -0.07898 -0.03462 -0.09833 -0.07512 -0.01844 -0.04641 -0.00576 0.00217 0.02134 -0.11296 0.02753 -0.04810 0.04150 0.03152 0.00807 0.03696 0.02747 -0.02842 -0.00267 -0.00445 -0.02589 -0.21118 -0.00260 0.01269 0.00765 -0.30971 0.33975 -0.05833 0.04472 -0.03332 -0.09640 0.06721 -0.18181 -0.26858 -0.10444 0.10315 0.10027 -0.05662 -0.00699 0.05146 -0.07197 -0.15718 -0.09943 -0.12943 -0.04934 -0.14307 -0.14567 0.07021 0.01949 -0.09000 0.01081 -0.12558 0.03999 0.05856 0.02659 0.10779 0.09579 -0.04760 0.13129 -0.13019 -0.06936 0.60103 0.04429 0.10783 -0.22056 -1.63455 -1.56348 9.42540 -0.02598 0.02184 -0.00594 -0.06891 -0.02819 -0.14856 -0.04280 0.19405 1.26321 -1.54271 0.03482 -0.06333 -0.02911 0.09461 0.00276 -0.04089 -0.08391 -0.83166 -2.12494 3.09226 0.01669 -0.03554 -0.02863 -0.09196 0.02045 0.06534 -0.00500 -1.12945 0.56616 0.25819 -0.00460 0.00233 -0.00520 0.00291 0.00130 0.00972 -0.00580 0.01858 0.00429 -0.00531 0.00958 0.00371 0.01336 -0.00154 -0.00420 -0.02073 0.01790 -0.00934 0.00229 -0.00364 0.00175 0.00212 0.00761 0.00147 0.00069 -0.01623 0.00051 0.02660 0.00333 0.00349 -0.00953 -0.00425 0.00194 0.00026 0.01056 -0.02086 -0.02922 0.00204 -0.00628 -0.00138 0.00955 0.00181 0.00296 0.00080 -0.00791 0.00792 0.02358 0.01378 -0.00908 -0.00078 -0.00545 0.01623 -0.00074 -0.00477 0.00008 -0.00020 0.00069 0.00830 -0.00910 0.01138 -0.00888 0.02647 -0.00117 -0.00743 0.00014 -0.00032 0.00111 0.01362 -0.01540 0.01870 0.03208 0.00612 0.14283 0.00313 -0.03103 0.04607 -0.15529 -0.01868 0.00843 0.00042 0.01128 0.02427 0.07821 -0.01304 -0.01691 0.02544 -0.08637 0.02610 -0.00647 0.00055 -0.01990 0.04321 -0.02825 0.05311 0.00727 -0.01040 0.03653 -0.00914 0.00900 -0.00554 0.02742 -0.08300 0.00291 0.01746 -0.00056 0.00079 -0.00280 -0.03697 0.05835 -0.05407 0.05214 0.01018 0.22342 0.00164 -0.04659 0.07041 -0.23773 -0.02646 0.01239 -0.00055 0.01798 0.03955 0.12262 -0.01759 -0.02559 0.03893 -0.13179 0.03559 -0.00943 0.00416 -0.03251 0.07055 -0.04460 0.07625 0.01113 -0.01657 0.05578 -0.01519 0.01124 -0.00633 0.05565 -0.15763 0.01288 0.10192 0.00039 0.00323 -0.01006 -0.19671 0.10304 -0.19046 0.04362 -0.02565 0.21534 0.00158 -0.05906 0.09410 -0.34502 -0.10362 0.04938 0.03795 -0.00071 0.07683 0.11973 0.00514 -0.02976 0.05089 -0.19724 0.19347 -0.06570 -0.06450 -0.01721 0.02844 -0.04217 0.12308 0.01147 -0.01151 0.08256 0.02697 0.03412 -0.01054 0.01449 0.05358 0.10880 0.31019 -0.02308 0.03911 0.00909 -0.16630 -0.29349 -1.05658 -0.01906 -0.03396 0.01637 0.02679 0.00494 0.08766 -0.26902 -0.08709 0.49953 0.51842 -0.01456 0.03190 -0.00351 -0.04332 0.01305 -0.00135 -0.12867 0.31208 -0.83444 -0.82360 0.02097 -0.04227 -0.02840 0.05541 0.00330 -0.01278 0.04053 0.34440 0.02609 0.30348 -0.00848 0.00942 0.00314 0.00194 0.00619 -0.00841 -0.00137 0.01989 0.00263 0.00398 0.00956 0.01008 -0.00900 0.00107 -0.01501 0.02143 0.00185 -0.00259 0.00247 0.00112 0.00940 -0.00458 -0.00106 -0.00059 -0.00821 0.00989 0.00454 0.01330 -0.00057 0.00382 0.00581 0.00850 0.01305 0.00075 -0.00293 -0.00085 0.01300 0.00603 -0.00238 -0.00320 -0.00305 0.00533 -0.00973 0.00406 -0.00237 0.00672 -0.00866 0.01372 -0.00449 -0.00435 0.01309 -0.04179 -0.00174 -0.01236 -0.00005 0.00014 -0.00010 -0.01016 -0.00667 -0.01055 0.02122 -0.06778 -0.00285 -0.02014 -0.00009 0.00023 -0.00016 -0.01719 -0.01125 -0.01761 -0.03970 -0.07916 0.07270 -0.01883 0.10371 -0.13702 0.12859 -0.00168 -0.00553 0.00097 -0.04496 0.02958 0.04027 -0.00341 0.05535 -0.07316 0.06915 0.02349 -0.00090 0.00078 0.06496 -0.16517 -0.02471 -0.05059 -0.02363 0.03037 -0.02863 0.03952 -0.01794 0.01479 -0.05938 0.18978 0.00860 0.05801 0.00035 -0.00118 0.00032 0.06487 0.04168 0.06026 -0.06489 -0.12004 0.11423 -0.02822 0.16328 -0.20963 0.19412 -0.00161 -0.00840 0.00354 -0.06992 0.04303 0.06336 -0.00585 0.08696 -0.11148 0.10406 0.03562 -0.00109 0.00106 0.09835 -0.24683 -0.03824 -0.07441 -0.03717 0.04653 -0.04284 0.06237 -0.02869 0.02839 -0.11237 0.35640 0.01096 0.11121 -0.00142 0.00733 0.00107 0.20853 0.05770 0.12870 -0.05483 -0.08288 0.10175 -0.03040 0.15315 -0.27864 0.27889 0.00132 -0.01278 0.00246 -0.05639 0.03113 0.05396 0.01224 0.08232 -0.14915 0.15334 0.06691 -0.00176 -0.00943 0.06243 -0.14608 -0.03302 -0.04896 -0.03531 0.06509 -0.06467 0.15171 -0.03103 0.02307 0.02682 -0.08012 -0.07103 -0.11828 0.03492 -0.03388 -0.05508 0.94029 -0.71355 0.48668 0.01544 0.00318 -0.00062 -0.01386 -0.00446 -0.13197 0.17906 -0.00734 -0.20166 -0.03430 0.00067 -0.00490 -0.02687 0.01331 -0.00272 -0.06020 0.08243 0.13830 0.37046 0.15679 0.00124 -0.02103 -0.01953 -0.03836 0.00904 0.02299 -0.05315 0.22259 -0.02083 0.06194 0.00641 -0.01380 -0.00655 -0.00180 -0.00330 0.00168 0.00129 -0.00678 -0.00092 0.00250 -0.00120 -0.01047 0.01555 -0.00287 0.00733 -0.00547 -0.00323 -0.00057 -0.00158 0.00150 -0.00577 0.00196 0.00477 -0.00107 0.00605 -0.00056 0.00099 -0.00345 0.00524 -0.00170 -0.01016 -0.00111 -0.01175 0.00296 0.00916 0.00812 0.01015 -0.00062 -0.00416 0.00176 0.00356 0.00631 0.01258 0.00192 -0.00377 -0.00690 -0.00749 -0.00208 -0.00398 0.00166 -0.00269 0.00859 0.00011 0.00217 0.00001 -0.00006 0.00008 -0.02211 -0.01101 0.01237 -0.00435 0.01391 0.00017 0.00350 0.00003 -0.00011 0.00014 -0.03696 -0.01827 0.02047 -0.08225 0.01208 -0.10454 0.01879 0.04162 0.13611 -0.05535 0.01086 0.01182 -0.00258 -0.02682 -0.04598 -0.05761 -0.00164 0.02215 0.07303 -0.03008 -0.01352 -0.02903 0.01577 -0.00256 0.06406 0.02739 0.02555 -0.00908 -0.03030 0.01239 0.02035 -0.01921 0.02018 0.01383 -0.04389 -0.00037 -0.01001 -0.00017 0.00067 -0.00072 0.12781 0.06183 -0.06616 -0.13089 0.01992 -0.16452 0.03172 0.06529 0.20669 -0.08581 0.01468 0.01682 -0.00551 -0.04197 -0.07582 -0.09104 -0.00648 0.03467 0.11106 -0.04672 -0.01931 -0.04293 0.02797 -0.00313 0.09873 0.04310 0.04047 -0.01422 -0.04594 0.01913 0.02601 -0.03150 0.03439 0.02570 -0.08751 -0.00389 -0.03701 0.00085 -0.00363 0.00286 0.25706 0.20163 -0.18962 -0.10993 0.01040 -0.15464 0.01040 0.06663 0.29627 -0.11162 0.06361 0.02136 0.01556 -0.03142 -0.07635 -0.08191 0.01768 0.03700 0.15380 -0.05824 -0.08788 -0.04550 -0.00393 0.01607 0.02648 0.03786 0.00794 -0.01519 -0.06806 0.02535 0.08012 -0.02204 0.03806 -0.00853 -0.00096 -0.00840 -0.02244 -0.01068 0.00834 0.03079 0.12528 0.66853 -0.46610 0.00156 -0.03345 -0.00023 -0.02745 0.02939 0.17044 -0.09976 -0.09332 -0.01197 0.04003 -0.02149 0.04804 0.00773 0.04905 0.00552 0.06772 -0.03596 0.16839 -0.38978 -0.01284 0.01306 -0.01474 0.00964 -0.00523 -0.00555 -0.05333 0.02922 0.04090 -0.95423 0.24767 -0.00632 0.01274 0.00446 0.00286 0.00609 0.00102 0.00423 -0.01078 0.00527 -0.00341 0.00353 0.00556 -0.00842 0.00465 -0.01378 -0.00356 -0.00862 0.00186 0.00550 -0.00124 0.00427 0.00009 -0.00683 -0.00534 -0.01010 0.00056 -0.00883 -0.01226 -0.00464 0.00136 0.00545 0.00846 -0.00614 0.00320 -0.01222 0.00838 -0.01834 0.00243 -0.00028 -0.00311 -0.00589 0.00691 0.00199 0.00114 0.00399 -0.00615 0.00913 -0.00010 -0.00302 -0.00416 -0.00420 0.01268 0.00034 -0.00036 -0.00003 -0.00004 -0.00017 0.01212 0.01220 -0.00926 -0.00627 0.01896 0.00051 -0.00056 -0.00004 -0.00007 -0.00027 0.01942 0.01897 -0.01471 -0.00701 0.02540 -0.01143 0.00204 -0.02506 -0.13224 -0.08500 0.00385 -0.01491 0.01328 0.01246 -0.03516 -0.00716 -0.00098 -0.01281 -0.06779 -0.04308 -0.00549 0.02440 -0.02373 -0.00964 0.02809 0.00346 -0.00099 0.00580 0.03090 0.01962 0.01414 -0.01194 -0.00391 0.01747 -0.05297 -0.00197 -0.00117 0.00009 0.00071 0.00135 -0.06768 -0.01020 0.02153 -0.01066 0.03908 -0.01920 -0.00042 -0.04021 -0.22726 -0.14517 0.00437 -0.01930 0.02022 0.01956 -0.05429 -0.01049 0.00758 -0.02083 -0.11622 -0.07400 -0.00786 0.03215 -0.03681 -0.01454 0.04249 0.00585 0.00297 0.00955 0.05269 0.03346 0.01761 -0.01580 -0.01108 0.01553 -0.04851 0.00627 0.05383 -0.00273 0.00814 -0.00493 -0.23680 -0.68380 0.31776 0.01037 -0.01892 -0.00233 0.00137 0.00527 -0.18748 -0.14674 0.01750 0.06412 0.01507 -0.01469 0.05423 0.00253 0.04354 0.00685 -0.09526 -0.07652 -0.00286 -0.08570 -0.04982 -0.00409 0.03323 0.01580 0.10186 0.00374 0.04069 0.03251 0.09719 0.08434 -0.07319 0.00602 -0.01804 0.00303 0.05568 0.00110 0.01250 -0.00818 -0.36544 -2.71444 1.24179 0.00577 0.00089 -0.00074 -0.01064 0.00590 0.00496 -0.02975 0.04740 0.29207 0.00775 0.00262 0.00095 0.00221 0.02234 0.00245 0.00710 -0.01884 -0.01892 -0.38243 -0.16252 -0.00008 -0.00386 0.00184 0.00740 -0.00314 -0.00570 0.00954 0.18084 0.40292 -0.37204 -0.00189 0.01362 -0.00344 0.00103 -0.00309 -0.00500 -0.00476 0.00103 0.00975 0.00086 0.00020 -0.01712 0.00778 0.00381 0.00626 0.01001 0.01136 0.00151 0.00332 0.00096 -0.01691 0.03648 0.00677 -0.00879 0.00686 0.01138 0.00763 0.00322 0.00896 -0.00816 -0.00367 -0.00598 0.01310 0.00097 0.01454 0.02473 0.00772 -0.00646 -0.01024 0.00985 -0.00118 0.00997 -0.00649 0.00004 -0.00777 -0.01352 -0.00182 -0.00840 -0.01203 0.01064 0.00389 -0.01536 -0.00212 -0.01599 0.00008 0.00035 0.00044 -0.02885 -0.00932 0.01140 0.01276 -0.04345 -0.00253 -0.02484 0.00036 -0.00015 0.00112 -0.11023 -0.01836 0.04200 -0.00211 0.00973 0.00142 0.01406 -0.00147 -0.01195 0.00375 -0.12513 -0.54186 0.24459 0.00256 -0.00336 -0.00337 -0.01072 0.00078 -0.00476 0.00071 -0.39735 -0.89644 0.68071 -0.00685 0.00129 -0.00856 0.00216 0.00370 0.01596 -0.00906 0.00040 -0.00377 0.00513 -0.00153 -0.00611 -0.00486 -0.00168 0.00197 0.00862 -0.00491 0.00294 0.00998 -0.01052 0.00107 0.00102 0.00204 0.00109 -0.00080 -0.00370 0.00195 0.00984 0.00728 -0.00389 -0.00120 0.00387 -0.00016 -0.00215 0.00010 0.00013 -0.00091 0.00887 -0.01312 -0.02595 -0.00199 0.00643 -0.00025 -0.00334 0.00015 0.00021 -0.00153 0.01496 -0.02141 -0.04244 -0.05579 -0.02208 -0.08719 0.00463 0.00640 -0.00589 0.00631 -0.01457 -0.01077 -0.00642 -0.03579 -0.00004 -0.04623 0.02404 0.00325 -0.00269 -0.00001 0.02470 0.01554 0.00908 0.00294 0.02189 0.02448 0.01654 -0.00147 -0.00141 0.00010 -0.00454 0.00282 0.00110 0.00691 -0.02016 0.00098 0.00941 -0.00009 -0.00079 0.00492 -0.04703 0.05898 0.12344 -0.08230 -0.03631 -0.12927 0.00514 0.00859 -0.00530 0.00200 -0.02765 -0.01758 -0.01105 -0.05548 0.00682 -0.06806 0.03910 0.00445 -0.00147 -0.00533 0.04635 0.02548 0.01460 0.00426 0.03383 0.03627 0.02610 -0.00216 -0.00254 0.00228 -0.01216 0.00230 0.00262 0.01034 -0.06483 -0.00556 -0.01777 -0.00630 0.00179 0.01198 -0.24865 0.37544 0.60952 -0.05651 -0.03274 -0.11824 -0.00333 0.02192 -0.03226 0.00917 -0.07795 0.02317 0.06326 -0.03681 0.00875 -0.06011 0.03663 0.01366 -0.02432 -0.00320 0.11435 -0.04223 -0.10652 -0.00065 0.02304 0.03732 -0.00332 -0.00280 -0.01855 0.00424 -0.01470 0.03574 0.01146 -0.00829 -0.02570 0.03013 0.03624 -0.02592 -0.07233 0.07785 -0.00505 2.79032 6.17434 -0.00470 -0.00068 0.03445 -0.00023 -0.01829 -0.04107 0.03175 0.02603 -0.09091 0.07206 0.00268 -0.01050 0.01451 0.00951 -0.00804 -0.01326 0.00858 -0.11948 0.04950 -0.20809 -0.02629 0.01895 0.01564 -0.03871 -0.00073 -0.04441 0.03127 0.01820 0.24773 -0.13793 -0.00229 0.00095 -0.00351 -0.00082 0.00082 -0.00210 0.00271 0.00120 -0.00158 0.00099 -0.00450 0.00011 -0.01108 0.00156 0.00037 0.00196 0.00498 0.00055 0.00167 0.00150 -0.00163 -0.00061 -0.00313 -0.00015 -0.00059 0.00319 -0.00335 -0.00101 -0.00035 -0.00103 0.00426 0.00319 0.01710 0.00025 -0.00280 0.00645 -0.02508 -0.00113 -0.00373 -0.00213 -0.00274 0.00301 -0.00761 0.00353 0.00109 -0.00250 0.01307 -0.00173 -0.00662 -0.00422 -0.00493 -0.01562 -0.02269 -0.00737 0.00205 -0.00285 0.00848 0.00358 -0.00041 -0.00005 -0.00991 -0.01489 -0.03055 -0.00744 0.00387 -0.01213 0.02004 0.01752 -0.00787 -0.00026 -0.00872 -0.00268 -0.00510 -0.02542 0.00422 -0.01848 0.02429 0.03053 -0.05633 -0.32087 -0.02600 0.02242 0.00907 -0.02471 0.00482 -0.03511 0.03660 0.02645 -0.50447 -1.75620 -0.00415 -0.00064 -0.00453 0.00082 0.00038 -0.00176 0.00147 -0.00094 -0.00180 -0.00014 -0.00142 -0.00179 -0.00208 0.00071 -0.00026 0.00017 0.00071 0.00222 0.00171 -0.00102 0.00008 -0.00248 -0.00157 -0.00009 -0.00000 0.00023 -0.00021 -0.00020 0.00491 0.00854 0.04816 0.02110 0.08979 0.00041 -0.00838 0.00978 -0.03582 0.00010 -0.00127 -0.00297 0.07367 0.03220 0.13093 0.00290 -0.00893 0.01392 -0.07964 0.01155 -0.01426 -0.00523 0.01181 -0.00163 0.03615 -0.00842 0.00320 0.02012 -0.13721 -0.05015 -0.12395 -0.35473 0.00202 -0.00302 0.04833 -0.00248 -0.03328 0.01632 -0.04598 0.11092 -0.99573 -1.69273 0.00423 0.00158 0.00616 0.00076 -0.00026 -0.00013 0.00081 -0.00094 0.00447 0.00931 -0.00116 0.00051 -0.00169 0.00179 -0.00018 0.00127 -0.00160 0.00212 0.00541 0.00300 -0.00365 -0.00005 -0.00333 0.00051 -0.00023 -0.00077 0.00052 -0.00051 -0.00348 -0.00438 -0.04374 -0.00377 -0.06603 0.02152 0.00667 -0.00695 0.02743 -0.00082 -0.00119 -0.00328 -0.06477 -0.00444 -0.09605 0.03749 0.00694 -0.00643 0.05940 0.01648 -0.01714 -0.00225 -0.00835 0.00416 -0.04402 -0.00350 -0.00077 0.04589 0.07996 -0.03997 -0.08964 -0.36842 0.01522 0.01245 -0.06310 -0.02531 0.03869 0.03370 -0.01951 0.24917 -0.82051 -1.62570 0.00069 -0.00049 -0.00082 -0.00225 -0.00021 0.00143 -0.00065 -0.00113 -0.00620 -0.00665 0.00286 0.00105 0.00437 -0.00145 -0.00009 -0.00119 0.00096 0.00150 -0.00117 -0.00698 0.00374 0.00222 0.00457 -0.00185 0.00014 0.00076 -0.00051 -0.00071 -0.00247 -0.00382 0.00003 -0.00007 0.00012 0.00164 -0.00001 -0.00006 0.00001 -0.00133 -0.00898 0.00327 0.00007 -0.00015 0.00020 0.00275 -0.00001 -0.00010 0.00002 -0.00228 -0.01511 0.00552 -0.00839 -0.07981 0.02816 0.01245 0.02528 0.05707 0.03110 0.00087 0.00022 -0.00744 -0.05510 0.10557 0.01263 -0.03049 0.01318 0.02952 0.01572 -0.00334 -0.00970 0.01570 0.02340 -0.04510 -0.00777 -0.00366 -0.00626 -0.01373 -0.00738 -0.00737 -0.01944 0.00792 -0.00050 0.00118 -0.00071 -0.00961 0.00001 0.00031 -0.00002 0.00876 0.05327 -0.01979 -0.01224 -0.11538 0.04076 0.01782 0.03650 0.08237 0.04593 0.00130 0.00060 -0.01100 -0.07962 0.15233 0.01826 -0.04391 0.01904 0.04263 0.02325 -0.00505 -0.01395 0.02314 0.03400 -0.06570 -0.01133 -0.00563 -0.00905 -0.01981 -0.01085 -0.01116 -0.02653 0.01250 0.00261 -0.00690 -0.00022 -0.00590 0.00023 0.00063 -0.00055 0.00136 0.07522 -0.02680 -0.01110 -0.09948 0.03565 0.01659 0.03330 0.08235 0.04029 0.00168 -0.00293 -0.00978 -0.06989 0.13420 0.01616 -0.03887 0.01738 0.04257 0.02026 -0.00597 -0.01609 0.02301 0.02712 -0.04937 -0.00934 -0.00172 -0.00808 -0.01989 -0.00958 -0.01065 -0.04730 0.01218 -0.00122 -0.01714 -0.01392 -0.09951 -0.00492 -0.00045 0.00454 0.03516 0.07951 -0.02387 -0.00372 -0.00794 0.00792 0.00856 0.00313 0.04503 0.04635 -0.01029 -0.00222 -0.01259 -0.00650 0.00916 0.00356 -0.00278 0.00080 0.02354 0.02386 0.01746 0.00752 0.02184 0.00446 -0.00158 0.00297 0.03242 0.00078 -0.01028 -0.01260 -0.01359 0.01104 0.01762 -0.00103 0.00167 0.00026 -0.00017 0.00004 -0.00120 -0.00087 0.00014 0.00048 -0.00020 0.00029 0.00243 -0.00060 -0.00049 -0.00011 0.00279 0.00200 0.00014 0.00064 -0.00051 0.00141 -0.00246 -0.00017 0.00104 -0.00003 0.00151 0.00100 0.00006 -0.00063 0.00050 -0.00025 0.00069 0.00004 -0.00040 0.00009 0.00071 0.00021 -0.00009 -0.00015 0.00013 0.00038 -0.00011 -0.00023 -0.00014 -0.00009 0.00036 0.00044 -0.00012 -0.00052 0.00045 0.00004 -0.00014 0.00004 0.00043 0.00002 0.00002 0.00006 -0.00452 -0.01155 0.01142 0.00009 -0.00027 0.00006 0.00072 0.00004 0.00004 0.00010 -0.00758 -0.01934 0.01915 0.00959 -0.03255 0.02830 0.00191 0.02598 0.05326 0.03763 -0.00587 -0.00704 0.00773 -0.01889 0.05240 0.01362 -0.01158 0.01265 0.02695 0.01888 0.01358 0.01773 -0.01858 0.00583 -0.01631 -0.00685 -0.00312 -0.00595 -0.01269 -0.00864 0.00014 0.00930 -0.00190 -0.00076 0.00219 -0.00033 -0.00296 -0.00009 -0.00016 -0.00028 0.02632 0.06630 -0.06627 0.01391 -0.04693 0.04080 0.00280 0.03726 0.07744 0.05428 -0.00812 -0.00918 0.00996 -0.02721 0.07544 0.01965 -0.01674 0.01812 0.03920 0.02723 0.01922 0.02337 -0.02496 0.00854 -0.02391 -0.00982 -0.00443 -0.00855 -0.01846 -0.01250 0.00080 0.01280 -0.00345 0.00431 -0.01184 0.00084 0.00340 -0.00037 0.00019 -0.00116 0.03792 0.11433 -0.11064 0.01075 -0.03770 0.03688 0.00007 0.03492 0.07421 0.05671 -0.01229 -0.02003 0.02207 -0.02084 0.05839 0.01832 -0.00989 0.01716 0.03768 0.02814 0.02627 0.04901 -0.04852 0.00807 -0.02270 -0.00903 -0.00266 -0.00782 -0.01755 -0.01288 -0.00148 0.02247 -0.00405 -0.01976 0.07118 0.00410 0.04812 0.00621 -0.00327 0.00115 0.07744 0.01524 -0.05451 0.00288 -0.01512 0.00361 -0.00337 -0.00076 0.05191 0.03049 -0.00381 0.01829 -0.03206 -0.01040 0.03013 0.00311 0.00562 0.00157 0.02434 0.01782 0.01836 -0.03989 0.04601 -0.00105 0.00422 -0.00095 -0.00201 0.00046 -0.01252 -0.00746 0.01710 -0.00675 -0.02462 0.00025 -0.00068 -0.00014 0.00009 -0.00006 0.00051 0.00029 0.00014 -0.00058 0.00041 0.00009 -0.00033 0.00043 0.00006 0.00018 -0.00156 -0.00088 0.00006 0.00018 0.00001 -0.00021 0.00059 0.00009 -0.00017 0.00007 -0.00002 0.00007 -0.00003 -0.00034 0.00020 0.00028 -0.00079 -0.00035 0.00010 -0.00003 0.00241 0.00172 0.00004 -0.00051 0.00016 0.00030 -0.00091 0.00038 0.00001 0.00009 -0.00213 -0.00145 -0.00005 -0.00082 0.00035 -0.00005 0.00033 0.00008 0.00028 -0.00001 0.00002 0.00003 -0.01103 0.00403 -0.00140 -0.00016 0.00097 0.00023 0.00079 -0.00003 0.00005 0.00010 -0.03197 0.01157 -0.00411 0.00044 -0.00227 -0.00045 -0.00154 0.00006 -0.00009 -0.00025 0.06789 -0.02365 0.00927 0.00020 -0.00272 -0.00099 -0.00351 0.00012 -0.00026 -0.00023 0.12343 -0.04882 0.01357 0.00100 0.00105 0.00185 0.00700 -0.00021 0.00074 -0.00017 -0.20826 0.09767 -0.01257 -0.00603 0.02240 0.00315 0.01013 -0.00014 -0.00250 0.00349 -0.39386 0.09230 -0.09148 -0.04423 0.11249 -0.04176 -0.18694 0.01928 0.04596 0.00062 -3.56796 1.42087 -2.84634 -0.03014 -0.00553 0.00908 -0.02762 -0.03953 -0.00423 -0.06242 -0.10341 0.05400 0.06653 -0.00932 -0.02336 0.01856 0.05625 -0.02742 -0.00825 -0.02719 0.57047 -0.19536 0.21876 0.01514 -0.02308 0.00196 0.00776 0.00641 -0.00930 0.01483 0.91071 -0.31008 0.61490 -0.13094 -0.02533 0.04509 -0.11294 -0.13567 0.01542 0.03893 0.00714 0.00012 0.00610 -0.05453 -0.05523 0.04249 0.16434 -0.07091 0.00786 0.02256 -0.06575 0.00429 -0.02490 0.03038 0.00023 -0.02077 -0.09505 0.03048 -0.00337 -0.00823 -0.12282 0.01379 -0.03096 0.04959 0.00966 -0.01708 0.04264 0.05145 -0.00587 -0.01484 -0.00277 -0.00005 -0.00237 0.02071 0.02077 -0.01606 -0.06204 0.02688 -0.00300 -0.00859 0.02550 -0.00171 0.00970 -0.01148 -0.00018 0.00784 0.03585 -0.01155 0.00130 0.00312 0.04770 -0.00549 0.01212 0.14765 0.02815 -0.05150 0.13055 0.15689 -0.01885 -0.04796 -0.00829 -0.00014 -0.00715 0.06116 0.06307 -0.04881 -0.18994 0.08206 -0.00958 -0.02776 0.07646 -0.00456 0.02881 -0.03427 -0.00006 0.02392 0.11022 -0.03528 0.00400 0.01029 0.14241 -0.01515 0.03494 0.33415 0.06579 -0.11551 0.28517 0.35165 -0.04135 -0.10611 -0.02195 -0.00012 -0.02024 0.14026 0.13827 -0.10759 -0.41555 0.18344 -0.02113 -0.06159 0.19951 -0.01662 0.07986 -0.07744 -0.00221 0.05198 0.23708 -0.07886 0.00961 0.02212 0.37396 -0.04919 0.09874 0.16205 0.03438 -0.06636 0.16270 0.22619 -0.05664 -0.13950 -0.03139 -0.01086 0.00054 0.07112 0.05596 -0.06181 -0.23527 0.11898 -0.02901 -0.07923 0.31048 0.00622 0.11763 -0.03098 -0.01835 0.03214 0.14274 -0.05205 0.01108 0.02856 0.57664 -0.03913 0.28186 0.00920 0.00258 -0.00254 -0.00935 -0.00093 0.00585 0.01385 0.06487 -0.00141 0.03053 -0.02434 -0.00468 0.00367 -0.00714 0.00236 -0.01438 -0.03647 -0.00878 0.00149 -0.00010 -0.00718 -0.00981 0.00261 0.00825 0.00056 -0.00665 -0.01552 0.07226 0.00018 0.02689 0.00651 0.00490 -0.00211 -0.00460 -0.00221 0.00099 0.01411 -0.01861 -0.00209 -0.00460 -0.01145 -0.00250 0.00224 -0.00322 0.00207 -0.00445 -0.01993 -0.00346 -0.00343 -0.00016 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 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 3 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 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 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 13 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 14 Cl 1S 2S 3S 4S 5S 6S 7S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 11PX 11PY 11PZ 12PX 12PY 12PZ 13D 0 13D+1 13D-1 13D+2 13D-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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 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 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|3 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|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 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|13 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|14 Cl 1S|2S|3S|4S|5S|6S|7S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|11PX|11PY|11PZ|12PX|12PY|12PZ|13D 0|13D+1|13D-1|13D+2|13D-2 1.10464 0.88478 0.19794 0.22105 0.18874 0.76214 0.49066 0.52095 0.48385 0.49794 0.31833 0.26753 0.11140 -0.16009 -0.02928 0.01354 0.28465 0.02547 0.02328 0.02960 0.01385 0.01089 1.10436 0.88481 0.20496 0.23267 0.20113 0.75511 0.51186 0.54034 0.48027 0.48013 0.29467 0.17122 0.07539 0.49250 0.03236 0.15525 0.04231 0.02338 0.01475 0.01431 0.00825 0.00951 1.09540 0.89597 0.27460 0.26633 0.24648 0.87588 0.62893 0.61363 0.57480 0.59597 0.45281 0.34483 0.24639 -0.27705 -0.04736 -0.02270 -0.13844 0.01180 0.01105 0.01638 0.00816 0.00699 1.09597 0.89534 0.22660 0.21223 0.29125 0.94631 0.53178 0.50965 0.65127 0.82263 0.30874 0.15645 0.24107 -0.21582 0.01253 0.04885 0.06767 0.01241 0.01088 0.01889 0.01004 0.01023 1.09534 0.89589 0.26972 0.26149 0.26456 0.86799 0.62285 0.60590 0.60856 0.62148 0.42312 0.32007 0.30333 -0.17544 0.00517 0.10022 0.01945 0.00964 0.00854 0.01437 0.00794 0.00681 1.13341 0.85491 0.08477 0.14412 0.15118 0.63681 0.22196 0.32466 0.33130 0.20877 0.07112 0.05513 0.09151 -0.04705 0.00959 0.00726 -0.00446 0.06469 0.04484 0.07895 0.02839 0.02929 0.25729 0.36401 -0.12630 -0.01781 0.00911 0.01597 0.01279 1.10437 0.88486 0.21739 0.17961 0.24082 0.74479 0.52689 0.45242 0.56833 0.52119 0.28161 0.14885 0.34940 0.12726 -0.00923 -0.00371 0.02412 0.01280 0.00646 0.00549 0.01231 0.01750 0.26708 0.46296 0.00477 0.00820 0.00445 0.00383 0.01416 0.26764 0.45992 -0.01000 -0.01868 0.01251 0.00316 0.00654 0.26790 0.46113 0.02067 0.00331 0.00632 0.00954 0.00671 1.07791 0.91684 0.40429 0.41571 0.34528 1.08978 0.79969 0.81906 0.71686 0.88895 0.62213 0.62721 0.46947 -0.17066 0.02814 0.02141 0.00193 0.00174 0.00074 0.00070 0.00003 0.00004 1.07791 0.91683 0.39940 0.36539 0.40130 1.08797 0.79238 0.74534 0.79832 0.89434 0.61305 0.51790 0.59632 -0.16833 0.02645 0.00173 0.00799 0.00036 0.00027 0.00106 0.00080 0.00073 0.77762 1.18727 0.89610 1.08688 1.01938 1.06981 -0.38083 -0.04967 -0.04781 -0.04665 1.54038 1.54288 1.55018 0.43219 0.42738 0.41371 0.39910 0.37532 0.30077 1.09821 1.00968 0.77763 0.46776 0.38238 0.17987 0.01130 0.00419 0.01155 0.00141 0.00110 10.9716 8.2836 0.1293 13.7481 -31.4585 -34.5120 -56.2146 14.8962 -2.2618 5.7805 9.2699 6.2163 -15.4862 14.8962 -2.2618 5.7805 -430.2084 -105.8531 -182.0030 -137.7367 -30.1090 -76.3118 -166.1803 -52.2275 -51.6788 18.2188 -3000.7525 -1073.5024 -1057.8320 -216.2668 -682.2969 -174.4480 -145.4520 -641.1017 -104.2741 -745.5007 -737.8144 -352.7261 -0.6205 -178.1186 -73.4493 0 0 0 0 0 0 0 0 0 0 0 0 0 0 162.3130064 AuxInfo=1/0/N:8,2,1,6,14,12,13,5,4,3/E:(6,7)/CRV:2.3,3.3,9.2/rA:14nC3C3NN2NBHCHHHFFCl/rB:s1;s1;s3;s2s4;s2;s5;s3;s8;s8;s8;s6;s6;s1;/rC:2.5544,1.6105,1.1739;3.1522,.421,.8141;2.0549,2.1479,.0281;2.2991,1.3886,-1.0074;2.9441,.3724,-.5293;3.9105,-.6793,1.623;3.2356,-.3568,-1.172;1.3375,3.4145,-.1353;1.0449,3.4846,-1.179;.4602,3.407,.5089;2.0048,4.2322,.1334;4.0958,-.542,2.9092;4.3567,-1.7324,.9768;2.3991,2.3587,2.6726; 0.000000 1.378973 0.000000 1.360611 2.191824 0.000000 2.207379 2.231979 1.307125 0.000000 2.141401 1.360265 2.062539 1.295101 0.000000 2.698782 1.562010 3.738961 3.713641 2.582991 0.000000 3.136488 2.134629 3.017974 1.987572 1.014780 2.893309 0.000000 2.539575 3.627024 1.464749 2.406157 3.462789 5.144951 4.347439 0.000000 3.365647 4.218877 2.064956 2.448650 3.703411 5.779332 4.422176 1.086270 0.000000 2.838290 4.031919 2.087966 3.123293 4.056710 5.462944 4.969384 1.088462 1.788018 0.000000 2.873742 4.037959 2.087505 3.077999 4.027362 5.474774 4.927256 1.089073 1.789612 1.791051 0.000000 3.165410 2.491373 4.438605 4.721683 3.739664 1.306717 4.174935 5.703541 6.498824 5.879947 5.905095 0.000000 3.802839 2.472729 4.610325 4.232123 2.948479 1.313631 2.786824 6.069795 6.544655 6.466486 6.466746 2.284535 0.000000 1.682250 2.788500 2.675068 3.807003 3.807154 3.551823 4.780654 3.182091 4.235150 3.088703 3.180099 3.368799 4.841995 0.000000 1.7458335 0.8919008 0.5925989 1 2 3 4 5 6 7 8 9 10 11 12 13 14 6 6 7 7 7 5 1 6 1 1 1 9 9 17 -0.002234799 0.018101528 0.031884487 0.008493305 -0.013338639 0.006389524 -0.004739790 0.008125140 -0.001451628 0.003083789 -0.004411165 0.003008040 -0.001275939 0.002246596 -0.000661464 0.035783140 -0.050499242 0.042408444 0.000758660 -0.001680594 -0.000199244 -0.000233593 0.001432465 -0.000129489 0.000382053 -0.000762787 -0.000068226 -0.000070561 -0.000073932 0.000770434 -0.000168729 -0.000063331 0.000187458 -0.013799047 -0.015637954 -0.092490360 -0.027626930 0.074354296 0.044428239 0.001648443 -0.017792381 -0.034076215 0.092490360 0.024951147 8 -965.595619447 PT108084.500S Tue Mar 2 17:50:33 2021 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 C C N N N B H C H H H F F Cl -0.261853 -0.729543 0.319152 0.135021 -0.156992 0.478834 0.484944 -0.413544 0.234543 0.278897 0.224415 -0.077266 -0.077510 0.560902 1.00000 -14.65622 -10.52193 -10.45853 -10.42549 -9.71695 -7.46719 -7.45580 -7.45533 -7.06965 -1.43812 -1.41249 -1.39163 -1.19747 -1.11949 -1.03600 -0.98302 -0.89508 -0.84513 -0.79644 -0.76378 -0.74083 -0.72124 -0.71297 -0.68715 -0.67555 -0.66321 -0.63066 -0.61866 -0.60914 -0.60648 -0.59006 -0.57337 -0.56171 -0.52196 -0.51543 -0.46343 -0.09788 -0.06779 -0.01236 -0.00662 0.00913 0.02060 0.02554 0.03600 0.03932 0.04146 0.04791 0.06619 0.07521 0.07945 0.07989 0.08787 0.09919 0.10091 0.10385 0.10654 0.12016 0.12243 0.12974 0.13132 0.13634 0.13920 0.14148 0.15676 0.16876 0.17223 0.17440 0.18556 0.19389 0.19880 0.20922 0.22506 0.22713 0.23475 0.24682 0.25454 0.26449 0.27083 0.28218 0.28969 0.30086 0.30799 0.31848 0.31996 0.32263 0.32900 0.33847 0.35224 0.35842 0.37151 0.37494 0.39077 0.39460 0.43190 0.43895 0.45005 0.46095 0.46514 0.47202 0.48980 0.51983 0.53069 0.53917 0.55604 0.58422 0.59472 0.60090 0.61695 0.63133 0.63344 0.65064 0.65099 0.70130 0.73229 0.74422 0.74981 0.77898 0.78698 0.79337 0.80176 0.81565 0.83778 0.84572 0.86396 0.87019 0.89937 0.90104 0.91148 0.93883 0.95304 0.96983 0.99296 1.02030 1.03776 1.06585 1.13578 1.17443 1.19284 1.23381 1.25539 1.27005 1.27215 1.27576 1.29849 1.32436 1.32928 1.35350 1.36027 1.36632 1.40206 1.42201 1.42848 1.43180 1.45735 1.48408 1.53834 1.55713 1.56334 1.59753 1.64683 1.66078 1.73384 1.77789 1.79980 1.81810 1.82172 1.85368 1.87407 1.91358 1.95823 1.96424 1.98696 2.04985 2.06205 2.09614 2.10055 2.12452 2.24624 2.25117 2.26024 2.27059 2.32517 2.36507 2.41797 2.43801 2.47448 2.50293 2.51781 2.52107 2.55702 2.56373 2.61725 2.64885 2.67339 2.67752 2.69313 2.76018 2.79306 2.86418 2.91595 2.95950 2.98913 3.03409 3.13052 3.22441 3.32599 3.45243 3.52962 3.65385 3.66063 3.75206 3.75798 3.77624 3.77739 3.78999 3.84810 3.89646 3.91456 3.96495 3.97188 3.99839 4.04594 4.09608 4.21797 4.26582 4.50472 4.57567 4.77431 4.90392 4.98193 5.61811 6.29074 6.31315 6.32954 6.41390 6.47128 6.66628 9.83427 14.67003 23.65222 23.96884 24.05728 25.85621 26.19181 26.70407 35.39809 35.53846 35.62483 66.84437 66.85091 215.91759 37 38 39 40 41 42 43 44 45 46 O|O|O|O|O|V|V|V|V|V -0.57337 -0.56171 -0.52196 -0.51543 -0.46343 -0.09788 -0.06779 -0.01236 -0.00662 0.00913 -0.00013 -0.01540 0.00001 0.00143 0.00010 -0.00005 0.00016 -0.01575 -0.02840 -0.02813 -0.00020 -0.02518 0.00002 0.00243 0.00016 -0.00009 0.00027 -0.02708 -0.04746 -0.04731 0.11220 -0.00138 0.00764 -0.01846 -0.10134 -0.03350 0.16863 0.00015 -0.00894 -0.01032 0.06181 -0.01285 0.00298 0.03033 -0.05638 -0.01904 0.09405 0.00870 0.04179 0.03764 -0.01974 -0.04334 -0.00072 -0.01316 0.01786 0.00607 -0.02872 0.02617 0.09116 0.06001 0.00060 0.08010 -0.00017 -0.00587 -0.00056 0.00036 -0.00104 0.10177 0.13109 0.14518 0.18867 -0.00425 0.01257 -0.03087 -0.16743 -0.05599 0.26771 -0.00326 -0.02315 -0.02143 0.10392 -0.01940 0.00464 0.05101 -0.09326 -0.03186 0.14935 0.02159 0.08528 0.07067 -0.03323 -0.07669 -0.00109 -0.02130 0.02957 0.01050 -0.04556 0.04739 0.15418 0.09720 -0.00173 0.10157 -0.00637 0.07285 0.00023 -0.00528 0.00231 0.29673 0.64370 0.32662 0.16023 -0.03380 -0.01157 0.10036 -0.12393 -0.09193 0.49425 0.02717 0.04278 -0.06029 0.09158 0.03171 0.00458 -0.16530 -0.06950 -0.05256 0.27424 -0.02055 -0.03659 0.20403 -0.02769 -0.08532 -0.00127 0.04855 0.02216 0.01826 -0.08714 0.07709 0.15882 0.31450 0.02478 0.19221 -0.02094 -0.51486 -0.00113 -0.05088 -0.04681 5.04422 7.53519 -8.73390 0.01970 0.04638 0.00017 -0.06726 0.01564 -0.04623 0.28493 0.55392 1.03733 -1.33149 -0.00144 -0.09960 0.00658 0.19959 0.01012 0.00103 0.19117 -1.05603 -1.23868 4.30244 -0.00708 -0.05002 -0.01455 0.24441 0.00161 0.00288 -0.03448 -0.28216 2.08574 5.92104 -0.00386 -0.00991 0.00447 0.02276 -0.00689 -0.00347 -0.00530 0.00104 -0.02146 -0.01354 0.01264 -0.00650 -0.01661 0.01511 0.02344 0.00889 0.01635 0.00564 0.00381 -0.00203 0.00550 0.00768 -0.01109 -0.02066 0.00980 0.01039 0.00897 -0.00656 -0.02110 -0.00539 -0.00728 -0.00444 -0.01670 0.00970 -0.01376 0.02696 0.00197 -0.00335 0.00557 0.00316 0.00687 -0.00407 0.00604 0.00985 0.01317 -0.01412 0.00218 -0.00794 0.00298 0.00405 -0.00006 0.00271 -0.00031 0.00673 -0.00003 -0.00004 0.00008 -0.00629 0.01347 0.01421 -0.00009 0.00407 -0.00045 0.01019 -0.00005 -0.00007 0.00013 -0.01064 0.02249 0.02375 0.03217 -0.05008 -0.08195 0.01162 -0.11685 0.09590 -0.05515 0.01109 0.01275 0.00123 0.01879 0.06346 -0.04432 -0.04174 -0.06497 0.05311 -0.03061 -0.01334 -0.01618 -0.00420 -0.00594 -0.07611 0.01673 -0.03683 0.02070 -0.01675 0.00998 0.02038 0.01807 -0.00632 0.00028 0.00056 0.00056 -0.02071 0.00021 -0.00004 -0.00049 0.03625 -0.07561 -0.07909 0.05652 -0.06925 -0.13747 0.01028 -0.19213 0.14991 -0.08605 0.01160 0.02310 0.00270 0.03269 0.08340 -0.07532 -0.05184 -0.10675 0.08316 -0.04783 -0.01025 -0.02939 -0.00652 -0.01043 -0.11667 0.02774 -0.05737 0.03412 -0.02626 0.01558 0.03272 0.03335 -0.00732 0.00314 0.02544 0.01233 -0.20713 -0.00022 0.00588 -0.00169 0.19856 -0.31998 -0.10629 0.02188 -0.05990 -0.09909 0.06404 -0.19005 0.27444 -0.20055 0.12454 0.05027 -0.08863 0.01581 0.07605 -0.04560 -0.16548 -0.10693 0.15295 -0.11415 -0.19099 -0.07683 0.13307 -0.00489 -0.09145 0.02384 -0.12018 0.03187 -0.05036 0.03881 0.10199 0.03044 -0.07648 -0.03016 -0.20100 0.02129 0.57427 -0.00001 0.06311 0.07312 -1.84676 -4.68189 11.35769 -0.00685 0.04027 -0.01211 -0.06702 -0.02912 0.17283 -0.15791 1.31225 0.31314 -2.38144 -0.01139 -0.08518 0.00128 0.08501 -0.01303 0.10934 -0.06840 -2.39627 -1.15390 3.80137 0.00015 -0.04243 0.01255 -0.10240 0.00402 -0.02881 0.02274 -0.07970 -1.87969 -1.38820 -0.00250 0.00365 -0.00476 0.00326 0.00079 -0.00803 -0.00268 0.00923 0.01363 0.00204 0.00911 0.00073 0.01496 0.00046 -0.00324 0.02361 0.01331 -0.00189 -0.00800 -0.00579 0.00279 0.00166 0.00799 0.00237 0.00071 0.01544 0.00033 0.01104 0.01772 0.00954 -0.01048 -0.00092 0.00107 0.00042 0.01221 0.01285 -0.03251 -0.00505 0.00423 0.00171 0.00824 -0.00133 0.00233 0.00125 -0.00800 -0.00298 0.02274 -0.00492 0.01193 0.00599 0.00020 0.01905 0.00033 -0.00467 -0.00007 -0.00010 -0.00032 -0.00567 0.00340 0.01297 0.00032 0.03103 0.00052 -0.00727 -0.00011 -0.00016 -0.00052 -0.00976 0.00564 0.02131 0.01813 -0.00551 0.14863 0.02199 -0.03254 -0.07755 -0.14409 -0.00090 -0.01328 -0.00537 0.01015 0.02545 0.08239 -0.00444 -0.01800 -0.04251 -0.07905 0.00186 0.02472 0.00692 -0.00331 0.04080 -0.02863 0.06168 0.00553 0.01330 0.02491 0.00519 -0.00755 -0.00606 -0.00088 -0.09655 -0.00128 0.01710 0.00041 0.00034 0.00133 0.04232 -0.01725 -0.06168 0.03028 -0.00828 0.23271 0.03135 -0.04926 -0.11876 -0.21952 -0.00131 -0.01727 -0.00817 0.01707 0.04067 0.12874 -0.00344 -0.02720 -0.06512 -0.12056 0.00154 0.03218 0.01151 -0.00549 0.06860 -0.04461 0.08989 0.00829 0.02011 0.03807 0.00493 -0.01232 -0.00658 -0.00282 -0.18699 -0.00554 0.09533 -0.00015 0.00146 0.00438 0.01444 -0.10391 -0.24523 0.01491 -0.03973 0.22515 0.02367 -0.05948 -0.16144 -0.33072 0.00198 -0.11244 -0.00402 0.00732 0.08013 0.12380 0.02036 -0.03341 -0.08833 -0.17946 0.00608 0.21323 0.00397 -0.00218 0.01509 -0.04328 0.12474 0.01097 0.03134 0.05593 0.03999 0.00996 0.00221 -0.00596 0.02902 -0.03918 0.30902 0.00740 0.00453 -0.00452 -0.24793 0.49112 -0.67723 -0.02042 -0.03318 0.01283 0.02736 0.00886 -0.11567 -0.26175 0.44735 -0.36977 0.60394 -0.01767 0.03434 0.01347 -0.02536 0.00273 -0.07610 -0.13772 -0.78051 0.80668 -0.84371 0.00232 -0.07438 0.00517 0.05741 -0.00304 0.02905 0.04763 0.18955 0.37884 0.72535 -0.00382 0.01229 0.00185 0.00334 0.00496 0.00622 -0.00271 0.00894 0.01249 0.00931 0.01223 0.00638 -0.00795 0.00062 -0.01616 -0.02113 0.00751 0.00118 -0.00289 -0.00026 0.00798 -0.00768 -0.00146 -0.00154 -0.00916 -0.01059 0.00686 0.00276 0.00695 0.00505 0.00630 0.00571 0.01313 0.00350 -0.00238 0.00476 0.01364 -0.00019 0.00723 0.00040 -0.00134 0.00639 -0.01006 0.00351 -0.00192 -0.00718 -0.00630 0.00030 0.01374 0.00205 -0.00028 -0.04478 0.00102 -0.01623 0.00002 0.00004 0.00006 -0.00937 -0.00178 -0.01161 -0.00046 -0.07261 0.00166 -0.02643 0.00004 0.00006 0.00010 -0.01582 -0.00319 -0.01949 -0.06310 -0.05763 0.06995 -0.00988 0.10949 0.15972 0.09669 -0.00563 -0.00563 -0.00301 -0.03417 0.04825 0.03791 0.00398 0.06060 0.08817 0.05362 0.00876 0.01538 0.01074 0.01003 -0.18482 -0.00709 -0.07039 -0.01850 -0.02753 -0.01699 -0.00785 0.02263 0.01656 0.00126 0.20273 -0.00485 0.07557 -0.00012 -0.00041 -0.00037 0.05880 0.01553 0.06849 -0.10002 -0.08601 0.10952 -0.01390 0.17209 0.24298 0.14523 -0.00897 -0.00870 -0.00344 -0.05428 0.07179 0.05940 0.00539 0.09529 0.13429 0.08059 0.01322 0.02301 0.01494 0.01600 -0.27674 -0.01145 -0.10399 -0.02908 -0.04187 -0.02565 -0.01328 0.03266 0.02902 0.00287 0.37927 -0.00717 0.14376 0.00059 0.00319 -0.00049 0.12106 0.09615 0.16770 -0.07890 -0.05606 0.09744 -0.01722 0.16338 0.33407 0.21517 -0.00961 -0.00907 0.00027 -0.04239 0.05165 0.05337 0.02006 0.09041 0.18447 0.11831 0.02791 0.04955 0.02368 0.01308 -0.16726 -0.01102 -0.07096 -0.02750 -0.05608 -0.03694 0.02052 0.11993 0.06798 0.00307 -0.07978 0.02131 -0.13614 -0.00784 -0.00083 0.00383 -0.46306 1.26341 1.16264 0.01224 0.00555 -0.00955 -0.01862 -0.00386 0.17112 0.14101 -0.24944 0.02843 -0.14994 0.00734 -0.01707 0.00403 0.01874 -0.00306 0.10276 0.08174 0.46606 0.02149 0.28489 -0.00151 -0.02332 0.00868 -0.04257 -0.00187 -0.02890 -0.02297 0.04559 0.25617 0.17816 0.00188 -0.01654 -0.00398 -0.00373 -0.00265 -0.00124 0.00085 -0.00373 -0.00789 -0.00207 -0.00572 -0.00832 0.01576 -0.00082 0.00799 0.00449 -0.00426 -0.00215 -0.00045 0.00053 -0.00474 0.00455 0.00546 -0.00029 0.00614 0.00098 0.00032 0.00379 -0.00284 -0.00271 -0.00882 0.00170 -0.01445 0.00167 0.00920 -0.00706 0.01306 -0.00395 -0.00072 0.00112 0.00422 0.00528 0.01164 0.00431 -0.00398 0.00521 -0.00866 -0.00517 -0.00153 0.00105 0.00008 0.00907 -0.00022 0.00288 -0.00002 0.00014 -0.00025 -0.01889 -0.02137 0.00028 0.00013 0.01469 -0.00035 0.00466 -0.00004 0.00023 -0.00041 -0.03145 -0.03571 0.00024 -0.06623 0.03212 -0.11456 0.00592 0.04014 -0.14841 -0.02107 0.01611 0.00906 0.00207 -0.03713 -0.04032 -0.06232 -0.01178 0.02222 -0.08193 -0.01191 -0.03394 -0.01486 0.00146 0.01179 0.06382 0.01771 0.03663 -0.00705 0.02538 0.00431 -0.01484 0.00413 0.01756 -0.00038 -0.04620 0.00107 -0.01392 0.00020 -0.00062 0.00138 0.10692 0.12190 0.00279 -0.10536 0.05182 -0.18035 0.01167 0.06302 -0.22575 -0.03366 0.02280 0.01346 0.00175 -0.05901 -0.06638 -0.09788 -0.02307 0.03493 -0.12463 -0.01911 -0.04979 -0.02364 0.00520 0.01875 0.09831 0.02792 0.05686 -0.01106 0.03875 0.00677 -0.02689 0.00078 0.02734 -0.00096 -0.09508 0.00276 -0.03948 -0.00111 -0.00396 0.00256 0.28762 0.24106 -0.06066 -0.08805 0.04014 -0.16760 -0.00655 0.06495 -0.32295 -0.03403 0.04199 0.04875 0.04200 -0.05018 -0.07015 -0.09252 0.00021 0.03572 -0.17982 -0.01917 -0.07905 -0.08191 -0.07603 0.01470 0.01877 0.02767 0.02182 -0.01161 0.05407 0.00794 -0.00688 0.01986 0.00696 -0.00417 -0.02048 0.00463 0.01010 0.00510 -0.00835 0.00251 0.71502 -0.22258 -0.94091 -0.00812 -0.02719 -0.00196 -0.03746 0.02753 -0.21026 -0.03906 -0.01205 -0.05134 0.05713 -0.00815 0.04592 -0.00190 0.06756 0.01423 -0.11809 -0.01061 -0.29992 0.11453 -0.03330 0.00028 -0.01019 -0.00391 -0.00185 -0.00377 0.02930 0.00893 -1.02862 0.06285 0.11492 -0.00164 0.01496 0.00244 0.00451 0.00497 -0.00063 0.00386 0.00161 -0.00866 -0.00765 0.00491 0.00284 -0.00881 0.00437 -0.01534 0.00301 -0.01146 0.00532 0.00180 -0.00045 0.00422 -0.00061 -0.00536 -0.00754 -0.01073 -0.00081 -0.00951 -0.00828 -0.00935 -0.00298 0.00756 0.00590 -0.00585 0.00263 -0.01258 -0.01189 -0.01638 0.00039 0.00389 -0.00043 -0.00353 0.00901 0.00145 0.00224 0.00445 0.00791 0.00772 -0.00210 0.00338 -0.00145 0.00011 0.01502 -0.00016 -0.00022 -0.00001 0.00001 0.00006 0.00630 0.00650 -0.00151 0.00016 0.02287 -0.00025 -0.00028 -0.00002 0.00001 0.00008 0.00975 0.01066 -0.00195 0.00119 0.02915 -0.00918 0.00034 -0.02072 0.09407 -0.08896 -0.00562 0.00686 0.01033 0.00018 -0.04191 -0.00435 -0.00118 -0.01137 0.05173 -0.04884 0.00959 -0.00689 -0.01545 0.00003 0.03164 0.00147 0.00024 0.00418 -0.01877 0.01785 -0.00105 0.01414 0.00827 -0.00045 -0.05735 0.00099 -0.00332 0.00003 0.00031 -0.00023 0.00604 -0.05039 -0.03677 0.00275 0.04540 -0.01624 -0.00304 -0.03547 0.16753 -0.15716 -0.00812 0.00976 0.01571 0.00101 -0.06620 -0.00846 0.00622 -0.01929 0.09213 -0.08622 0.01415 -0.00771 -0.02469 -0.00021 0.04678 0.00259 0.00587 0.00706 -0.03319 0.03175 -0.00084 0.02467 0.00994 0.00227 -0.08082 -0.00801 0.06943 0.00334 -0.00989 -0.01458 -0.55842 0.06381 0.46683 0.00671 -0.01771 -0.00462 -0.00202 0.01004 0.13522 -0.15529 0.08249 -0.02327 -0.04444 0.00399 0.04643 -0.00495 0.04679 0.01013 0.07042 -0.08347 -0.10266 0.06047 0.06660 -0.00240 0.03970 -0.00748 0.12262 0.00732 -0.03398 0.03317 0.14453 0.05443 -0.05723 0.00052 -0.03558 -0.00299 0.05258 0.00213 -0.00151 0.00098 -2.71838 0.47839 2.49886 0.00608 0.00322 0.00045 -0.01054 0.00663 -0.02032 -0.02303 0.29640 -0.10163 -0.10332 0.00383 -0.00554 -0.00181 0.02150 0.00388 -0.01156 -0.01354 -0.37443 0.25253 0.09035 -0.00100 0.00225 -0.00059 0.00728 -0.00206 0.00525 0.00497 0.48988 0.21418 -0.30834 0.00195 0.01835 -0.00283 0.00129 -0.00253 0.00333 -0.00516 0.00641 -0.00145 -0.00123 -0.00452 -0.01714 0.00688 0.00519 0.00687 -0.00863 0.01418 0.00194 -0.00065 -0.00127 -0.00350 0.04099 0.00655 -0.00784 0.00693 -0.00991 0.01091 0.00528 0.00288 -0.00198 -0.00534 -0.00257 0.01234 0.00252 0.01551 -0.02528 0.01528 -0.00704 -0.00431 0.00481 0.00220 0.01006 -0.00591 -0.00026 -0.00776 0.01319 -0.00602 -0.01006 -0.00589 0.00730 0.00010 -0.01426 0.00112 -0.02043 0.00006 0.00005 -0.00020 -0.01900 -0.02795 -0.00411 -0.00025 -0.04384 0.00180 -0.03505 0.00023 -0.00016 -0.00054 -0.05780 -0.12092 -0.04114 -0.00097 0.00951 -0.00020 0.01748 -0.00102 -0.00092 0.00378 -0.61292 -0.14391 0.12181 -0.00082 -0.00110 0.00131 -0.00919 -0.00084 -0.00018 0.00179 -1.20885 -0.78597 -0.14765 -0.00543 0.00308 -0.00950 0.00127 0.00369 -0.01848 -0.00464 -0.00410 -0.00113 0.00461 -0.00307 -0.00549 -0.00506 -0.00302 0.00207 -0.01024 -0.00253 0.01097 0.00518 -0.00755 0.00095 0.00081 0.00160 0.00110 -0.00062 0.00319 0.00090 0.01155 0.00987 0.00237 0.00005 0.00451 0.00006 -0.00159 -0.00003 0.00005 0.00043 -0.00915 0.02226 -0.01796 0.00008 0.00745 0.00009 -0.00242 -0.00005 0.00008 0.00072 -0.01473 0.03677 -0.02905 -0.05599 -0.00066 -0.08794 -0.01325 0.00653 0.00691 0.00185 -0.01194 -0.00701 -0.00972 -0.03023 0.00940 -0.04951 0.01760 0.00366 0.00402 0.00241 0.02348 0.00894 0.01484 0.01150 0.02063 0.01380 0.01617 -0.00119 -0.00216 -0.00065 0.00024 -0.00962 -0.00896 -0.00048 -0.02330 -0.00031 0.00710 0.00004 -0.00029 -0.00229 0.03736 -0.10853 0.07942 -0.08368 -0.00462 -0.12992 -0.02138 0.00873 0.00438 -0.00441 -0.02173 -0.01510 -0.01811 -0.04515 0.02095 -0.07342 0.02993 0.00487 0.00299 0.00005 0.04063 0.01980 0.02823 0.01713 0.03202 0.02036 0.02588 -0.00157 -0.00207 0.00008 -0.00415 -0.02058 -0.01730 0.00311 -0.06789 0.00204 -0.02931 0.00191 0.00005 -0.00597 0.27323 -0.58189 0.45669 -0.05352 -0.00417 -0.11670 -0.02577 0.02354 0.03852 -0.00540 0.00714 -0.09103 0.03057 -0.03045 0.02143 -0.06627 0.03068 0.01242 0.01909 0.00131 0.00291 0.15721 -0.06393 0.01251 0.02714 0.01716 -0.00541 -0.00489 -0.01638 0.00101 0.02855 -0.04015 -0.01581 0.00446 -0.03693 -0.00802 0.03620 0.00497 -0.02894 -0.01982 2.75382 -3.15206 6.36103 -0.00606 0.01076 0.03320 -0.01004 -0.01653 0.05018 0.02002 0.04750 0.02013 0.11999 -0.00406 -0.00224 0.01892 0.00217 -0.00886 0.03065 0.01273 0.05438 -0.11615 -0.44128 0.00718 0.02994 -0.01203 -0.03449 0.00353 -0.03144 -0.01203 0.23557 -0.16155 -0.49252 0.00174 0.00161 0.00486 -0.00006 -0.00020 0.00048 -0.00188 -0.00124 0.00017 0.00105 -0.00329 -0.00017 -0.01031 -0.00063 0.00004 -0.00229 0.00480 0.00128 -0.00067 0.00123 -0.00100 -0.00090 -0.00178 -0.00184 -0.00050 -0.00324 -0.00229 -0.00050 0.00077 -0.00013 0.00253 0.00217 0.01492 0.00286 -0.00270 -0.01075 -0.02213 -0.00415 0.00134 -0.00168 -0.00285 0.00277 -0.01328 0.00226 0.00190 0.00664 0.01577 -0.00672 0.00204 -0.00268 0.00190 -0.01503 0.00652 -0.00595 -0.00058 -0.00138 -0.00211 0.00043 0.00264 0.00251 0.00289 -0.01260 0.00862 -0.00400 -0.00119 -0.00523 -0.00435 -0.00282 0.01405 0.00973 0.00300 0.00315 0.00142 -0.02637 -0.00136 -0.00805 -0.00667 -0.03742 0.17215 -0.31960 0.00507 0.03448 -0.00251 -0.02140 -0.00167 -0.01616 -0.00864 -0.51690 0.52246 -2.40305 -0.00375 0.00038 -0.00437 -0.00032 0.00020 0.00171 0.00098 -0.00045 -0.00147 0.00200 -0.00214 -0.00175 -0.00248 -0.00021 0.00026 0.00130 0.00050 0.00309 0.00047 0.00005 0.00104 -0.00257 0.00151 0.00008 -0.00006 -0.00038 -0.00019 0.00427 -0.00415 0.00795 0.04279 0.00746 0.07737 0.01587 -0.00779 -0.01423 -0.02931 -0.00130 0.00118 -0.00321 0.06458 0.01132 0.11367 0.02990 -0.00839 -0.02338 -0.06511 -0.00933 0.02116 0.00908 0.00700 0.00475 0.04601 -0.00678 0.00173 0.01176 -0.11576 -0.11121 0.15542 -0.35860 -0.01695 0.00430 0.06047 -0.01557 -0.03650 0.02578 -0.00014 -0.75103 1.28531 -1.19490 0.00258 0.00035 0.00369 0.00189 -0.00025 0.00051 0.00076 0.00300 -0.00600 0.00561 -0.00146 0.00064 -0.00318 0.00135 -0.00028 -0.00200 -0.00101 0.00493 -0.00059 0.00140 -0.00427 0.00109 -0.00477 -0.00158 -0.00011 0.00120 0.00009 -0.00386 0.00337 -0.00434 -0.04477 0.00625 -0.08479 0.00660 0.00828 0.01556 0.03149 -0.00123 0.00121 -0.00288 -0.06881 0.00925 -0.12489 0.01520 0.00886 0.02693 0.07056 -0.00940 0.01853 0.00732 -0.00654 0.00078 -0.04459 -0.01048 -0.00246 0.01340 0.12546 -0.12027 0.15798 -0.34575 0.01192 -0.00057 -0.05571 -0.01149 0.03534 -0.00278 0.01889 -0.81879 1.26477 -1.19602 0.00181 -0.00036 0.00170 -0.00230 -0.00032 -0.00171 -0.00054 -0.00702 0.00468 -0.00549 0.00405 0.00032 0.00613 -0.00029 -0.00001 0.00119 0.00146 -0.00033 0.00507 -0.00444 0.00305 0.00124 0.00316 0.00021 0.00026 -0.00090 -0.00018 -0.00177 0.00103 -0.00178 0.00001 -0.00170 -0.00007 0.00144 -0.00003 0.00008 -0.00002 -0.00631 0.00198 0.00627 0.00002 -0.00287 -0.00011 0.00241 -0.00006 0.00013 -0.00004 -0.01063 0.00326 0.01053 -0.02091 -0.05359 0.01927 0.00979 0.02349 -0.04948 0.04064 0.00175 0.00237 -0.00459 -0.01229 0.08323 0.01186 -0.01716 0.01349 -0.02755 0.02223 -0.00543 -0.00532 0.00898 0.00406 -0.04093 -0.00365 -0.00614 -0.00524 0.01038 -0.00839 -0.00742 -0.00233 0.00219 -0.00006 0.01062 0.00039 -0.00840 0.00017 -0.00038 0.00021 0.03749 -0.00980 -0.03647 -0.03057 -0.07770 0.02807 0.01405 0.03414 -0.07162 0.05983 0.00280 0.00321 -0.00742 -0.01795 0.12052 0.01726 -0.02475 0.01963 -0.03987 0.03274 -0.00785 -0.00797 0.01409 0.00595 -0.05979 -0.00526 -0.00930 -0.00764 0.01509 -0.01229 -0.00944 -0.00511 0.00221 -0.00023 -0.00713 0.00010 -0.00642 0.00031 -0.00124 -0.00068 0.05578 -0.03493 -0.06911 -0.02576 -0.06481 0.02394 0.01265 0.03128 -0.07646 0.05717 0.00095 0.00698 -0.00173 -0.01524 0.10454 0.01486 -0.02088 0.01797 -0.04279 0.03120 -0.01084 -0.00905 0.01031 0.00510 -0.03895 -0.00483 -0.00392 -0.00666 0.01568 -0.01179 -0.02660 0.01012 0.02041 0.00034 -0.01629 0.01056 -0.13431 -0.01057 0.01192 0.00521 0.01375 0.02055 -0.00872 -0.00536 -0.00509 0.00542 0.00930 0.00172 -0.03845 0.05809 -0.00590 -0.01272 -0.02131 -0.00287 0.00834 0.00306 -0.00154 0.00060 -0.01952 0.03238 0.02369 0.00889 0.02341 0.00103 -0.00371 -0.00443 0.03781 0.00293 0.00377 -0.01402 0.03180 -0.03737 -0.03819 -0.00027 0.00192 0.00013 -0.00000 0.00004 0.00092 -0.00101 0.00084 -0.00013 -0.00063 0.00076 0.00147 -0.00037 -0.00040 -0.00008 -0.00249 0.00271 0.00055 -0.00019 -0.00053 0.00042 -0.00152 -0.00024 0.00077 -0.00001 -0.00151 0.00154 -0.00023 0.00028 0.00030 -0.00009 0.00046 0.00014 -0.00028 0.00019 -0.00089 0.00054 -0.00022 -0.00010 0.00025 0.00024 0.00004 -0.00017 -0.00019 -0.00014 -0.00008 0.00033 -0.00051 -0.00002 0.00057 0.00000 -0.00133 0.00001 0.00062 0.00003 -0.00007 0.00003 -0.00987 -0.00370 0.00823 0.00000 -0.00225 0.00001 0.00103 0.00005 -0.00012 0.00006 -0.01651 -0.00623 0.01378 -0.00249 -0.03264 0.02294 0.00590 0.02414 -0.04415 0.04606 -0.00423 -0.00545 0.00038 -0.00054 0.05185 0.01202 -0.00932 0.01263 -0.02369 0.02502 0.00741 0.00701 -0.00229 -0.00042 -0.02291 -0.00364 -0.00104 -0.00449 0.00884 -0.00905 -0.00231 -0.00847 -0.00368 -0.00003 0.00865 -0.00001 -0.00364 -0.00013 0.00040 -0.00017 0.05570 0.02192 -0.04643 -0.00353 -0.04694 0.03332 0.00844 0.03478 -0.06450 0.06711 -0.00491 -0.00765 -0.00063 -0.00075 0.07449 0.01743 -0.01326 0.01816 -0.03464 0.03641 0.00850 0.00996 -0.00157 -0.00060 -0.03323 -0.00533 -0.00145 -0.00645 0.01287 -0.01321 -0.00366 -0.01158 -0.00664 0.00007 -0.01389 -0.00050 0.00411 -0.00030 0.00034 -0.00064 0.10989 0.03170 -0.09934 -0.00326 -0.03587 0.03024 0.00523 0.03295 -0.06391 0.07182 -0.01792 -0.01176 0.01151 -0.00068 0.05411 0.01570 -0.00689 0.01751 -0.03432 0.03925 0.03469 0.01532 -0.02399 -0.00066 -0.03343 -0.00459 0.00079 -0.00606 0.01282 -0.01394 0.00411 -0.01741 -0.00619 -0.00104 0.08708 -0.00167 0.06393 0.00780 -0.00229 0.00843 -0.01724 0.04304 0.06049 -0.00280 -0.01789 0.00327 -0.00464 -0.00294 -0.04818 0.04163 0.02637 0.01268 -0.04025 -0.00194 0.03422 0.00163 0.00813 0.00093 -0.02702 0.02616 -0.05225 -0.01608 0.06973 0.00075 0.00349 -0.00068 -0.00338 0.00066 0.00955 -0.00819 -0.01634 0.02078 -0.01106 -0.00001 -0.00048 -0.00012 0.00013 -0.00006 -0.00039 0.00029 -0.00050 -0.00003 0.00040 -0.00002 -0.00045 0.00044 0.00015 0.00022 0.00138 -0.00100 0.00002 -0.00005 0.00005 -0.00002 0.00095 0.00017 -0.00020 0.00012 0.00014 0.00004 0.00010 0.00007 -0.00023 0.00001 -0.00078 -0.00028 0.00010 0.00004 -0.00245 0.00242 -0.00066 0.00001 0.00059 -0.00004 -0.00086 0.00030 0.00011 0.00004 0.00185 -0.00174 -0.00099 0.00008 0.00086 -0.00000 0.00026 -0.00003 0.00023 0.00000 0.00002 -0.00002 -0.00003 -0.00980 -0.00598 -0.00001 0.00078 -0.00008 0.00067 0.00001 0.00006 -0.00007 -0.00018 -0.02831 -0.01728 0.00002 -0.00187 0.00016 -0.00130 -0.00003 -0.00011 0.00015 0.00116 0.05932 0.03643 0.00007 -0.00202 0.00037 -0.00295 -0.00006 -0.00025 0.00028 -0.00279 0.11330 0.06832 -0.00020 -0.00050 -0.00073 0.00574 0.00012 0.00056 -0.00051 0.01827 -0.20533 -0.11810 -0.00009 0.02244 -0.00084 0.01148 0.00010 -0.00014 -0.00037 -0.04857 -0.31265 -0.23270 0.00338 0.11863 0.01404 -0.19746 -0.00534 0.00840 -0.01769 -0.29580 -3.49344 -6.58073 -0.03133 0.00798 0.01463 -0.02798 -0.04106 0.00217 -0.08331 -0.01795 -0.21327 -0.13738 -0.01733 -0.02113 0.00283 0.05260 -0.02152 0.00033 -0.04687 0.06644 0.68902 0.67611 0.00493 -0.02434 -0.00310 0.00810 0.00821 -0.00256 0.01762 0.14457 0.91145 1.44188 -0.13970 0.02842 0.05292 -0.10502 -0.12692 -0.00708 0.04609 0.00442 0.00549 0.01019 -0.07883 -0.04867 0.01980 0.16282 -0.07104 -0.00406 0.02502 -0.01506 -0.03259 -0.03348 0.02462 -0.00046 -0.00411 -0.09503 0.02231 0.00131 -0.00812 -0.02407 -0.06958 -0.04856 0.05288 -0.01066 -0.02001 0.03964 0.04815 0.00273 -0.01765 -0.00172 -0.00217 -0.00400 0.02984 0.01823 -0.00750 -0.06147 0.02696 0.00156 -0.00959 0.00585 0.01284 0.01322 -0.00932 0.00009 0.00156 0.03585 -0.00847 -0.00050 0.00311 0.00932 0.02742 0.01926 0.15734 -0.03283 -0.06078 0.12143 0.14695 0.00840 -0.05616 -0.00518 -0.00615 -0.01165 0.08879 0.05629 -0.02265 -0.18811 0.08222 0.00485 -0.03043 0.01753 0.03678 0.03749 -0.02773 0.00058 0.00468 0.11015 -0.02582 -0.00159 0.00989 0.02807 0.07870 0.05344 0.35594 -0.06996 -0.13456 0.26498 0.33069 0.02000 -0.12882 -0.01323 -0.01799 -0.03495 0.20081 0.11931 -0.05073 -0.41196 0.18526 0.01132 -0.07015 0.04483 0.10633 0.11537 -0.06269 0.00023 0.01070 0.23693 -0.05821 -0.00361 0.02264 0.07053 0.22679 0.16623 0.16852 -0.03362 -0.07971 0.15225 0.22106 0.03092 -0.17780 -0.03359 -0.03722 -0.01368 0.09544 0.05134 -0.03040 -0.23463 0.12351 0.01806 -0.09737 0.10681 0.16896 0.15234 -0.03003 -0.01839 0.00579 0.14211 -0.03848 -0.00577 0.03156 0.15533 0.32062 0.41082 0.00841 0.00101 -0.00047 -0.00920 -0.00162 -0.00304 0.01436 0.02209 0.04012 0.04403 -0.02825 0.00415 0.00340 -0.00634 0.00568 0.00982 -0.04867 -0.00498 -0.01135 -0.00725 -0.01325 -0.00753 0.00089 0.00797 0.00230 0.00586 -0.02204 0.02373 0.04649 0.03787 0.01033 0.00287 -0.00156 -0.00401 -0.00368 0.00178 0.01892 -0.00791 -0.00996 -0.00677 -0.01216 0.00232 0.00178 -0.00339 0.00339 0.00111 -0.02142 -0.00611 -0.00273 0.00003 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 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 3 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 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 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 13 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 14 Cl 1S 2S 3S 4S 5S 6S 7S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 11PX 11PY 11PZ 12PX 12PY 12PZ 13D 0 13D+1 13D-1 13D+2 13D-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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 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 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|3 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|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 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|13 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|14 Cl 1S|2S|3S|4S|5S|6S|7S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|11PX|11PY|11PZ|12PX|12PY|12PZ|13D 0|13D+1|13D-1|13D+2|13D-2 1.10456 0.88481 0.19940 0.22208 0.19368 0.76353 0.49788 0.52558 0.49258 0.49053 0.32776 0.26914 0.07320 -0.12141 -0.00161 -0.03973 0.26960 0.02753 0.02554 0.03191 0.01389 0.01082 1.10438 0.88474 0.20396 0.23266 0.20129 0.75683 0.50800 0.54100 0.47830 0.50045 0.28873 0.16566 0.07248 0.51481 0.04033 0.11776 0.04230 0.02390 0.01450 0.01407 0.00843 0.00927 1.09541 0.89597 0.27557 0.26547 0.24587 0.87514 0.63017 0.61233 0.57382 0.59813 0.45547 0.34844 0.24703 -0.29390 -0.05463 -0.01603 -0.11338 0.01159 0.01150 0.01616 0.00771 0.00690 1.09595 0.89536 0.22583 0.21354 0.29273 0.94324 0.53039 0.51164 0.65396 0.81954 0.30832 0.16352 0.24372 -0.21003 0.02378 0.04747 0.07212 0.01216 0.01125 0.01868 0.01035 0.00975 1.09534 0.89589 0.27006 0.26092 0.26543 0.86739 0.62317 0.60448 0.60950 0.62007 0.42745 0.32327 0.30232 -0.18167 0.01362 0.09877 0.02071 0.00953 0.00906 0.01461 0.00771 0.00678 1.13247 0.85450 0.10553 0.17205 0.19859 0.64230 0.24480 0.32548 0.33076 0.26348 0.05181 0.03309 0.11618 -0.04227 0.00700 0.00299 -0.00684 0.08616 0.06586 0.10755 0.03482 0.03660 0.25803 0.36691 -0.12480 -0.01799 0.00953 0.01552 0.01274 1.10437 0.88487 0.21834 0.17902 0.24019 0.74437 0.52835 0.45198 0.56685 0.52265 0.28028 0.15197 0.35001 0.13013 0.00066 -0.01476 0.02209 0.01261 0.00837 0.00382 0.01150 0.01850 0.26724 0.46322 0.00431 0.00864 0.00531 0.00330 0.01380 0.26787 0.46113 0.01038 -0.00511 0.01111 0.00321 0.00801 0.26773 0.46095 0.00141 -0.01155 0.00728 0.00944 0.00549 1.07785 0.91685 0.40057 0.41497 0.36328 1.08182 0.80066 0.82397 0.75468 0.86310 0.59781 0.60189 0.40402 -0.24222 0.01965 0.02124 0.01542 0.00260 0.00123 0.00115 0.00004 0.00005 1.07785 0.91684 0.39570 0.37779 0.40558 1.08044 0.79361 0.77252 0.81159 0.86873 0.58270 0.47638 0.55956 -0.22542 0.01856 0.00471 0.01115 0.00061 0.00050 0.00154 0.00113 0.00112 0.77759 1.18732 0.89561 1.08719 1.01221 1.07623 -0.37405 -0.05043 -0.04153 -0.04497 1.54055 1.54239 1.54945 0.43171 0.42815 0.41486 0.39688 0.38048 0.31043 1.09034 1.01932 0.78216 0.45206 0.37868 0.16791 0.01378 0.00616 0.01290 0.00170 0.00144 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 C C N N N B H C H H H F F Cl -0.261262 -0.723845 0.305271 0.106735 -0.164374 0.237096 0.480055 -0.416166 0.234175 0.243417 0.259245 0.079369 0.066807 0.553477 1.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 37 38 39 40 41 42 43 44 45 46 O O O O O V V V V V -0.573367 -0.561709 -0.521957 -0.515428 -0.463430 -0.097877 -0.067786 -0.012363 -0.006624 0.009129 1.830066 2.290308 1.715388 2.457245 1.959975 1.981387 1.905276 0.347859 1.072352 0.665554 9.630237709476D+02 11.5540 7.5568 0.8724 13.8333 -27.0338 -33.9405 -53.9012 12.1990 0.5527 5.1771 11.2580 4.3513 -15.6094 12.1990 0.5527 5.1771 -398.3066 -109.6352 -170.6524 -131.5842 -40.4047 -63.2531 -155.2303 -54.4111 -50.4075 15.0550 -2795.1657 -1029.5144 -996.3229 -250.9036 -598.8780 -179.6364 -140.3139 -580.3260 -99.0830 -703.3608 -677.3475 -346.4721 -9.3783 -168.7805 -83.5002 0 -965.5956194 6.566E-9 2.418E-5 8.3700744,3.2351015,-11.6051759,9.069661,0.4108992,3.8490472 C01 [X(C3H4B1Cl1F2N3)] -0.8390695 0.9914163 -1.6460151 -0.000015890 -0.000027798 -0.000009979 -0.000011886 0.000001734 0.000005324 0.000050371 0.000012065 0.000019426 -0.000016855 0.000027334 -0.000023078 0.000028705 0.000028486 -0.000001048 -0.000032448 -0.000003115 -0.000003550 0.000024331 0.000032783 -0.000024696 0.000006601 0.000013040 0.000003586 0.000039290 0.000024451 0.000003883 0.000009619 0.000004220 -0.000002560 0.000001585 0.000009136 0.000036711 -0.000037170 -0.000051403 -0.000003232 -0.000006705 -0.000029735 -0.000027670 -0.000039548 -0.000041198 0.000026882 162.3130064 AuxInfo=1/0/N:8,2,1,6,14,12,13,5,4,3/E:(6,7)/CRV:2.3,3.3,9.2/rA:14nC3C3NN2NBHCHHHFFCl/rB:s1;s1;s3;s2s4;s2;s5;s3;s8;s8;s8;s6;s6;s1;/rC:2.5544,1.6105,1.1739;3.1522,.421,.8141;2.0549,2.1479,.0281;2.2991,1.3886,-1.0074;2.9441,.3724,-.5293;3.9105,-.6793,1.623;3.2356,-.3568,-1.172;1.3375,3.4145,-.1353;1.0449,3.4846,-1.179;.4602,3.407,.5089;2.0048,4.2322,.1334;4.0958,-.542,2.9092;4.3567,-1.7324,.9768;2.3991,2.3587,2.6726; Gaussian 16 GINC-IRENE3239 ZOUBRITL MeQClBF2-H+ ES64L-G16RevC.01 RwB97XD GenECP Freq #N Geom=AllCheck Guess=TCheck SCRF=Check GenChk RwB97XD/GenECP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 162.3130064 AuxInfo=1/0/N:8,2,1,6,14,12,13,5,4,3/E:(6,7)/CRV:2.3,3.3,9.2/rA:14nC3C3NN2NBHCHHHFFCl/rB:s1;s1;s3;s2s4;s2;s5;s3;s8;s8;s8;s6;s6;s1;/rC:2.5544,1.6105,1.1739;3.1522,.421,.8141;2.0549,2.1479,.0281;2.2991,1.3886,-1.0074;2.9441,.3724,-.5293;3.9105,-.6793,1.623;3.2356,-.3568,-1.172;1.3375,3.4145,-.1353;1.0449,3.4846,-1.179;.4602,3.407,.5089;2.0048,4.2322,.1334;4.0958,-.542,2.9092;4.3567,-1.7324,.9768;2.3991,2.3587,2.6726; MeQClBF2-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 1 1 1 2 2 3 3 4 5 6 6 8 8 8 2 3 14 5 6 4 8 5 7 12 13 9 10 11 1.379 1.3606 1.6823 1.3603 1.562 1.3071 1.4647 1.2951 1.0148 1.3067 1.3136 1.0863 1.0885 1.0891 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 3 1 1 5 1 1 4 3 2 2 4 2 2 12 3 3 3 9 9 10 1 1 1 2 2 2 3 3 3 4 5 5 5 6 6 6 8 8 8 8 8 8 3 14 14 5 6 6 4 8 8 5 4 7 7 12 13 13 9 10 11 10 11 11 106.2691 131.0061 122.7247 102.8401 133.0723 124.0872 111.6567 127.9766 120.362 104.8584 114.3751 127.3931 118.2318 120.2995 118.3526 121.3472 107.154 108.8336 108.7609 110.6069 110.7079 110.6744 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 3 3 14 14 2 2 14 14 1 1 6 6 1 1 5 5 1 8 1 1 1 4 4 4 3 3 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 4 2 2 2 2 3 3 3 3 5 5 5 5 6 6 6 6 4 4 8 8 8 8 8 8 5 5 5 6 5 6 4 8 4 8 4 7 4 7 12 13 12 13 5 5 9 10 11 9 10 11 2 7 0.0188 179.7735 179.9258 -0.3195 -0.1596 -179.3608 179.9238 0.7226 0.1307 -179.9312 -179.6529 0.2851 -1.3302 178.9747 178.381 -1.3141 0.2332 179.5035 -176.8657 -57.2315 63.4199 3.9947 123.6288 -115.7197 -0.2271 179.8288 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00307 0.00553 0.00920 0.01478 0.01810 0.02528 0.05567 0.05603 0.05965 0.06076 0.07252 0.10783 0.13137 0.13419 0.14588 0.16093 0.16814 0.18342 0.18547 0.20609 0.24248 0.27054 0.28367 0.31002 0.33689 0.35271 0.35757 0.36140 0.41204 0.42855 0.43237 0.46650 0.48949 0.50620 0.52762 0.60328 Angle between quadratic step and forces= 67.08 degrees. 1 2 0.00029005 0.00000007 0.00000006 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 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 2.60588 2.57118 3.17899 2.57053 2.95177 2.47011 2.76797 2.44739 1.91766 2.46934 2.48240 2.05275 2.05689 2.05805 1.85475 2.28649 2.14195 1.79490 2.32255 2.16573 1.94878 2.23361 2.10071 1.83013 1.99622 2.22343 2.06353 2.09962 2.06564 2.11791 1.87019 1.89951 1.89824 1.93046 1.93222 1.93163 0.00033 3.13764 3.14030 -0.00558 -0.00279 -3.13044 3.14026 0.01261 0.00228 -3.14039 -3.13553 0.00498 -0.02322 3.12370 3.11334 -0.02294 0.00407 3.13293 -3.08689 -0.99888 1.10689 0.06972 2.15773 -2.01969 -0.00396 3.13860 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00001 0.00003 -0.00004 -0.00001 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00002 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00003 0.00002 0.00003 0.00000 0.00002 0.00001 0.00000 -0.00000 0.00005 0.00001 -0.00002 -0.00001 0.00001 -0.00005 0.00004 -0.00001 0.00005 -0.00003 0.00001 0.00019 -0.00020 -0.00002 0.00001 0.00006 -0.00007 0.00010 -0.00004 -0.00006 -0.00013 0.00003 0.00007 0.00009 -0.00002 -0.00005 -0.00009 -0.00006 -0.00023 -0.00020 0.00021 -0.00018 0.00034 -0.00006 -0.00005 0.00007 -0.00008 0.00004 -0.00047 -0.00045 -0.00043 -0.00041 -0.00024 0.00013 -0.00019 -0.00015 -0.00014 -0.00062 -0.00057 -0.00057 0.00018 0.00007 -0.00001 -0.00001 0.00003 0.00002 0.00003 0.00000 0.00002 0.00001 0.00000 -0.00000 0.00005 0.00001 -0.00002 -0.00001 0.00001 -0.00005 0.00004 -0.00001 0.00005 -0.00003 0.00001 0.00019 -0.00020 -0.00002 0.00001 0.00006 -0.00007 0.00010 -0.00004 -0.00006 -0.00013 0.00003 0.00007 0.00009 -0.00002 -0.00005 -0.00009 -0.00006 -0.00023 -0.00020 0.00021 -0.00018 0.00034 -0.00006 -0.00005 0.00007 -0.00008 0.00004 -0.00047 -0.00045 -0.00043 -0.00041 -0.00024 0.00013 -0.00019 -0.00015 -0.00014 -0.00062 -0.00057 -0.00057 0.00018 0.00007 2.60587 2.57117 3.17902 2.57055 2.95181 2.47011 2.76799 2.44740 1.91766 2.46933 2.48245 2.05276 2.05688 2.05804 1.85476 2.28643 2.14199 1.79488 2.32260 2.16570 1.94879 2.23381 2.10051 1.83010 1.99623 2.22348 2.06347 2.09972 2.06560 2.11785 1.87006 1.89953 1.89831 1.93054 1.93220 1.93159 0.00024 3.13758 3.14007 -0.00577 -0.00258 -3.13062 3.14060 0.01256 0.00223 -3.14032 -3.13562 0.00501 -0.02368 3.12325 3.11291 -0.02334 0.00383 3.13305 -3.08708 -0.99903 1.10674 0.06910 2.15716 -2.02026 -0.00378 3.13867 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000044 0.000010 0.001153 0.000290 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.448547e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 1 1 1 2 2 3 3 4 5 6 6 8 8 8 2 3 14 5 6 4 8 5 7 12 13 9 10 11 1.379 1.3606 1.6823 1.3603 1.562 1.3071 1.4647 1.2951 1.0148 1.3067 1.3136 1.0863 1.0885 1.0891 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 1 5 1 1 4 3 2 2 4 2 2 12 3 3 3 9 9 10 1 1 1 2 2 2 3 3 3 4 5 5 5 6 6 6 8 8 8 8 8 8 3 14 14 5 6 6 4 8 8 5 4 7 7 12 13 13 9 10 11 10 11 11 106.2691 131.0061 122.7247 102.8401 133.0723 124.0872 111.6567 127.9766 120.362 104.8584 114.3751 127.3931 118.2318 120.2995 118.3526 121.3472 107.154 108.8336 108.7609 110.6069 110.7079 110.6744 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 3 3 14 14 2 2 14 14 1 1 6 6 1 1 5 5 1 8 1 1 1 4 4 4 3 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 4 2 2 2 2 3 3 3 3 5 5 5 5 6 6 6 6 4 4 8 8 8 8 8 8 5 5 6 5 6 4 8 4 8 4 7 4 7 12 13 12 13 5 5 9 10 11 9 10 11 2 0.0188 179.7735 179.9258 -0.3195 -0.1596 -179.3608 179.9238 0.7226 0.1307 -179.9312 -179.6529 0.2851 -1.3302 178.9747 178.381 -1.3141 0.2332 179.5035 -176.8657 -57.2315 63.4199 3.9947 123.6288 -115.7197 -0.2271 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 1.378973 0.000000 1.360611 2.191824 0.000000 2.207379 2.231979 1.307125 0.000000 2.141401 1.360265 2.062539 1.295101 0.000000 2.698782 1.562010 3.738961 3.713641 2.582991 0.000000 3.136488 2.134629 3.017974 1.987572 1.014780 2.893309 0.000000 2.539575 3.627024 1.464749 2.406157 3.462789 5.144951 4.347439 0.000000 3.365647 4.218877 2.064956 2.448650 3.703411 5.779332 4.422176 1.086270 0.000000 2.838290 4.031919 2.087966 3.123293 4.056710 5.462944 4.969384 1.088462 1.788018 0.000000 2.873742 4.037959 2.087505 3.077999 4.027362 5.474774 4.927256 1.089073 1.789612 1.791051 0.000000 3.165410 2.491373 4.438605 4.721683 3.739664 1.306717 4.174935 5.703541 6.498824 5.879947 5.905095 0.000000 3.802839 2.472729 4.610325 4.232123 2.948479 1.313631 2.786824 6.069795 6.544655 6.466486 6.466746 2.284535 0.000000 1.682250 2.788500 2.675068 3.807003 3.807154 3.551823 4.780654 3.182091 4.235150 3.088703 3.180099 3.368799 4.841995 0.000000 1.7458335 0.8919008 0.5925989 1 -965.595619447 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=11111111111111 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=1160646935. There are 45 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 42 vectors produced by pass 0 Test12= 1.96D-14 2.22D-09 XBig12= 3.92D+01 2.69D+00. AX will form 42 AO Fock derivatives at one time. 42 vectors produced by pass 1 Test12= 1.96D-14 2.22D-09 XBig12= 5.97D+00 3.61D-01. 42 vectors produced by pass 2 Test12= 1.96D-14 2.22D-09 XBig12= 1.34D-01 4.24D-02. 42 vectors produced by pass 3 Test12= 1.96D-14 2.22D-09 XBig12= 1.68D-03 5.45D-03. 42 vectors produced by pass 4 Test12= 1.96D-14 2.22D-09 XBig12= 1.69D-05 5.43D-04. 42 vectors produced by pass 5 Test12= 1.96D-14 2.22D-09 XBig12= 1.25D-07 3.84D-05. 42 vectors produced by pass 6 Test12= 1.96D-14 2.22D-09 XBig12= 8.73D-10 3.64D-06. 21 vectors produced by pass 7 Test12= 1.96D-14 2.22D-09 XBig12= 5.12D-12 2.56D-07. 3 vectors produced by pass 8 Test12= 1.96D-14 2.22D-09 XBig12= 3.15D-14 1.95D-08. InvSVY: IOpt=1 It= 1 EMax= 6.22D-15 Solved reduced A of dimension 318 with 45 vectors. Isotropic polarizability for W= 0.000000 80.84 Bohr**3. End of Minotr F.D. properties file 721 does not exist. alpha 37 38 39 40 41 42 43 44 45 46 O O O O O V V V V V -0.573367 -0.561709 -0.521957 -0.515428 -0.463430 -0.097877 -0.067786 -0.012363 -0.006624 0.009129 1.830066 2.290307 1.715387 2.457244 1.959975 1.981386 1.905276 0.347859 1.072352 0.665553 9.630237693967D+02 PT13201.500S Tue Mar 2 17:54:05 2021 -14.65622 -10.52193 -10.45853 -10.42549 -9.71695 -7.46719 -7.45580 -7.45533 -7.06965 -1.43812 -1.41249 -1.39163 -1.19747 -1.11949 -1.03600 -0.98302 -0.89508 -0.84513 -0.79644 -0.76378 -0.74083 -0.72124 -0.71297 -0.68715 -0.67555 -0.66321 -0.63066 -0.61866 -0.60914 -0.60648 -0.59006 -0.57337 -0.56171 -0.52196 -0.51543 -0.46343 -0.09788 -0.06779 -0.01236 -0.00662 0.00913 0.02060 0.02554 0.03600 0.03932 0.04146 0.04791 0.06619 0.07521 0.07945 0.07989 0.08787 0.09919 0.10091 0.10385 0.10654 0.12016 0.12243 0.12974 0.13132 0.13634 0.13920 0.14148 0.15676 0.16876 0.17223 0.17440 0.18556 0.19389 0.19880 0.20922 0.22506 0.22713 0.23475 0.24682 0.25454 0.26449 0.27083 0.28218 0.28969 0.30086 0.30799 0.31848 0.31996 0.32263 0.32900 0.33847 0.35224 0.35842 0.37151 0.37494 0.39077 0.39460 0.43190 0.43895 0.45005 0.46095 0.46514 0.47202 0.48980 0.51983 0.53069 0.53917 0.55604 0.58422 0.59472 0.60090 0.61695 0.63133 0.63344 0.65064 0.65099 0.70130 0.73229 0.74422 0.74981 0.77898 0.78698 0.79337 0.80176 0.81565 0.83778 0.84572 0.86396 0.87019 0.89937 0.90104 0.91148 0.93883 0.95304 0.96983 0.99296 1.02030 1.03776 1.06585 1.13578 1.17443 1.19284 1.23381 1.25539 1.27005 1.27215 1.27576 1.29849 1.32436 1.32928 1.35350 1.36027 1.36632 1.40206 1.42201 1.42848 1.43180 1.45735 1.48408 1.53834 1.55713 1.56334 1.59753 1.64683 1.66078 1.73384 1.77789 1.79980 1.81810 1.82172 1.85368 1.87407 1.91358 1.95823 1.96424 1.98696 2.04985 2.06205 2.09614 2.10055 2.12452 2.24624 2.25117 2.26024 2.27059 2.32517 2.36507 2.41797 2.43801 2.47448 2.50293 2.51781 2.52107 2.55702 2.56373 2.61725 2.64885 2.67339 2.67752 2.69313 2.76018 2.79306 2.86418 2.91595 2.95950 2.98913 3.03409 3.13052 3.22441 3.32599 3.45243 3.52962 3.65385 3.66063 3.75206 3.75798 3.77624 3.77739 3.78999 3.84810 3.89646 3.91456 3.96495 3.97188 3.99839 4.04594 4.09608 4.21797 4.26582 4.50472 4.57567 4.77431 4.90392 4.98193 5.61811 6.29074 6.31315 6.32954 6.41390 6.47128 6.66628 9.83427 14.67003 23.65222 23.96884 24.05728 25.85621 26.19181 26.70407 35.39809 35.53846 35.62483 66.84437 66.85091 215.91759 37 38 39 40 41 42 43 44 45 46 O|O|O|O|O|V|V|V|V|V -0.57337 -0.56171 -0.52196 -0.51543 -0.46343 -0.09788 -0.06779 -0.01236 -0.00662 0.00913 -0.00013 -0.01540 0.00001 0.00143 0.00010 -0.00005 0.00016 -0.01575 -0.02840 -0.02813 -0.00020 -0.02518 0.00002 0.00243 0.00016 -0.00009 0.00027 -0.02708 -0.04746 -0.04731 0.11220 -0.00138 0.00764 -0.01846 -0.10134 -0.03350 0.16863 0.00015 -0.00894 -0.01032 0.06181 -0.01285 0.00298 0.03033 -0.05638 -0.01904 0.09405 0.00870 0.04179 0.03764 -0.01974 -0.04334 -0.00072 -0.01316 0.01786 0.00607 -0.02872 0.02617 0.09116 0.06001 0.00060 0.08010 -0.00017 -0.00587 -0.00056 0.00036 -0.00104 0.10177 0.13109 0.14518 0.18867 -0.00425 0.01257 -0.03087 -0.16743 -0.05599 0.26771 -0.00326 -0.02315 -0.02143 0.10392 -0.01940 0.00464 0.05101 -0.09326 -0.03186 0.14935 0.02159 0.08528 0.07067 -0.03323 -0.07669 -0.00109 -0.02130 0.02957 0.01050 -0.04556 0.04739 0.15418 0.09720 -0.00173 0.10157 -0.00637 0.07285 0.00023 -0.00528 0.00231 0.29673 0.64370 0.32662 0.16023 -0.03380 -0.01157 0.10036 -0.12393 -0.09193 0.49425 0.02717 0.04278 -0.06029 0.09158 0.03171 0.00458 -0.16530 -0.06950 -0.05256 0.27424 -0.02055 -0.03659 0.20403 -0.02769 -0.08532 -0.00127 0.04855 0.02216 0.01826 -0.08714 0.07709 0.15882 0.31450 0.02478 0.19221 -0.02094 -0.51486 -0.00113 -0.05088 -0.04681 5.04422 7.53519 -8.73390 0.01970 0.04638 0.00017 -0.06726 0.01564 -0.04623 0.28493 0.55392 1.03733 -1.33149 -0.00144 -0.09960 0.00658 0.19959 0.01012 0.00103 0.19117 -1.05603 -1.23868 4.30244 -0.00708 -0.05002 -0.01455 0.24441 0.00161 0.00288 -0.03448 -0.28216 2.08574 5.92104 -0.00386 -0.00991 0.00447 0.02276 -0.00689 -0.00347 -0.00530 0.00104 -0.02146 -0.01354 0.01264 -0.00650 -0.01661 0.01511 0.02344 0.00889 0.01635 0.00564 0.00381 -0.00203 0.00550 0.00768 -0.01109 -0.02066 0.00980 0.01039 0.00897 -0.00656 -0.02110 -0.00539 -0.00728 -0.00444 -0.01670 0.00970 -0.01376 0.02696 0.00197 -0.00335 0.00557 0.00316 0.00687 -0.00407 0.00604 0.00985 0.01317 -0.01412 0.00218 -0.00794 0.00298 0.00405 -0.00006 0.00271 -0.00031 0.00673 -0.00003 -0.00004 0.00008 -0.00629 0.01347 0.01421 -0.00009 0.00407 -0.00045 0.01019 -0.00005 -0.00007 0.00013 -0.01064 0.02249 0.02375 0.03217 -0.05008 -0.08195 0.01162 -0.11685 0.09590 -0.05515 0.01109 0.01275 0.00123 0.01879 0.06346 -0.04432 -0.04174 -0.06497 0.05311 -0.03061 -0.01334 -0.01618 -0.00420 -0.00594 -0.07611 0.01673 -0.03683 0.02070 -0.01675 0.00998 0.02038 0.01807 -0.00632 0.00028 0.00056 0.00056 -0.02071 0.00021 -0.00004 -0.00049 0.03625 -0.07561 -0.07909 0.05652 -0.06925 -0.13747 0.01028 -0.19213 0.14991 -0.08605 0.01160 0.02310 0.00270 0.03269 0.08340 -0.07532 -0.05184 -0.10675 0.08316 -0.04783 -0.01025 -0.02939 -0.00652 -0.01043 -0.11667 0.02774 -0.05737 0.03412 -0.02626 0.01558 0.03272 0.03335 -0.00732 0.00314 0.02544 0.01233 -0.20713 -0.00022 0.00588 -0.00169 0.19856 -0.31998 -0.10629 0.02188 -0.05990 -0.09909 0.06404 -0.19005 0.27444 -0.20054 0.12454 0.05027 -0.08863 0.01581 0.07605 -0.04560 -0.16548 -0.10693 0.15295 -0.11415 -0.19099 -0.07683 0.13307 -0.00489 -0.09145 0.02384 -0.12018 0.03187 -0.05036 0.03881 0.10199 0.03044 -0.07648 -0.03016 -0.20100 0.02129 0.57427 -0.00001 0.06311 0.07312 -1.84676 -4.68189 11.35769 -0.00685 0.04027 -0.01211 -0.06702 -0.02912 0.17283 -0.15790 1.31225 0.31314 -2.38144 -0.01139 -0.08518 0.00128 0.08501 -0.01303 0.10934 -0.06840 -2.39627 -1.15390 3.80137 0.00015 -0.04243 0.01255 -0.10240 0.00402 -0.02881 0.02274 -0.07970 -1.87969 -1.38820 -0.00250 0.00365 -0.00476 0.00326 0.00079 -0.00803 -0.00268 0.00923 0.01363 0.00204 0.00911 0.00073 0.01496 0.00046 -0.00324 0.02361 0.01331 -0.00189 -0.00800 -0.00579 0.00279 0.00166 0.00799 0.00237 0.00071 0.01544 0.00033 0.01104 0.01772 0.00954 -0.01048 -0.00092 0.00107 0.00042 0.01221 0.01285 -0.03251 -0.00505 0.00423 0.00171 0.00824 -0.00133 0.00233 0.00125 -0.00800 -0.00298 0.02274 -0.00492 0.01193 0.00599 0.00020 0.01905 0.00033 -0.00467 -0.00007 -0.00010 -0.00032 -0.00567 0.00340 0.01297 0.00032 0.03103 0.00052 -0.00727 -0.00011 -0.00016 -0.00052 -0.00976 0.00564 0.02131 0.01813 -0.00551 0.14863 0.02199 -0.03254 -0.07755 -0.14409 -0.00090 -0.01328 -0.00537 0.01015 0.02545 0.08239 -0.00444 -0.01800 -0.04251 -0.07905 0.00186 0.02472 0.00692 -0.00331 0.04080 -0.02863 0.06168 0.00553 0.01330 0.02491 0.00519 -0.00755 -0.00606 -0.00088 -0.09655 -0.00128 0.01710 0.00041 0.00034 0.00133 0.04232 -0.01725 -0.06168 0.03028 -0.00828 0.23271 0.03135 -0.04926 -0.11876 -0.21952 -0.00131 -0.01727 -0.00817 0.01707 0.04067 0.12874 -0.00344 -0.02720 -0.06512 -0.12056 0.00154 0.03218 0.01151 -0.00549 0.06860 -0.04461 0.08989 0.00829 0.02011 0.03807 0.00493 -0.01232 -0.00658 -0.00282 -0.18699 -0.00554 0.09533 -0.00015 0.00146 0.00438 0.01444 -0.10391 -0.24523 0.01491 -0.03973 0.22515 0.02367 -0.05948 -0.16144 -0.33072 0.00198 -0.11244 -0.00402 0.00732 0.08013 0.12380 0.02036 -0.03341 -0.08833 -0.17946 0.00608 0.21323 0.00397 -0.00218 0.01509 -0.04328 0.12474 0.01097 0.03134 0.05593 0.03999 0.00996 0.00221 -0.00596 0.02902 -0.03918 0.30902 0.00740 0.00453 -0.00452 -0.24793 0.49112 -0.67723 -0.02042 -0.03318 0.01283 0.02736 0.00886 -0.11567 -0.26175 0.44735 -0.36977 0.60394 -0.01767 0.03434 0.01347 -0.02536 0.00273 -0.07610 -0.13772 -0.78051 0.80668 -0.84371 0.00232 -0.07438 0.00517 0.05741 -0.00304 0.02905 0.04763 0.18955 0.37884 0.72535 -0.00382 0.01229 0.00185 0.00334 0.00496 0.00622 -0.00271 0.00894 0.01249 0.00931 0.01223 0.00638 -0.00795 0.00062 -0.01616 -0.02113 0.00751 0.00118 -0.00289 -0.00026 0.00798 -0.00768 -0.00146 -0.00154 -0.00916 -0.01059 0.00686 0.00276 0.00695 0.00505 0.00630 0.00571 0.01313 0.00350 -0.00238 0.00476 0.01364 -0.00019 0.00723 0.00040 -0.00134 0.00639 -0.01006 0.00351 -0.00192 -0.00718 -0.00630 0.00030 0.01374 0.00205 -0.00028 -0.04478 0.00102 -0.01623 0.00002 0.00004 0.00006 -0.00937 -0.00178 -0.01161 -0.00046 -0.07261 0.00166 -0.02643 0.00004 0.00006 0.00010 -0.01582 -0.00319 -0.01949 -0.06310 -0.05763 0.06995 -0.00988 0.10949 0.15972 0.09669 -0.00563 -0.00563 -0.00301 -0.03417 0.04825 0.03791 0.00398 0.06060 0.08817 0.05362 0.00876 0.01538 0.01074 0.01003 -0.18482 -0.00709 -0.07039 -0.01850 -0.02753 -0.01699 -0.00785 0.02263 0.01656 0.00126 0.20273 -0.00485 0.07557 -0.00012 -0.00041 -0.00037 0.05880 0.01553 0.06849 -0.10002 -0.08601 0.10952 -0.01390 0.17209 0.24298 0.14523 -0.00897 -0.00870 -0.00344 -0.05428 0.07179 0.05940 0.00540 0.09529 0.13429 0.08059 0.01322 0.02301 0.01494 0.01600 -0.27674 -0.01145 -0.10399 -0.02908 -0.04187 -0.02565 -0.01328 0.03266 0.02902 0.00287 0.37927 -0.00717 0.14376 0.00059 0.00319 -0.00049 0.12106 0.09615 0.16770 -0.07890 -0.05606 0.09744 -0.01722 0.16338 0.33407 0.21517 -0.00961 -0.00907 0.00027 -0.04239 0.05165 0.05337 0.02006 0.09041 0.18447 0.11831 0.02791 0.04955 0.02368 0.01308 -0.16726 -0.01102 -0.07096 -0.02750 -0.05608 -0.03694 0.02052 0.11993 0.06798 0.00307 -0.07978 0.02131 -0.13614 -0.00784 -0.00082 0.00383 -0.46306 1.26341 1.16264 0.01224 0.00555 -0.00955 -0.01862 -0.00386 0.17112 0.14101 -0.24944 0.02843 -0.14994 0.00734 -0.01707 0.00403 0.01874 -0.00306 0.10276 0.08174 0.46606 0.02149 0.28489 -0.00151 -0.02332 0.00868 -0.04257 -0.00187 -0.02890 -0.02297 0.04559 0.25617 0.17816 0.00188 -0.01654 -0.00398 -0.00373 -0.00265 -0.00124 0.00085 -0.00373 -0.00789 -0.00207 -0.00572 -0.00832 0.01576 -0.00082 0.00799 0.00449 -0.00426 -0.00215 -0.00045 0.00053 -0.00474 0.00455 0.00546 -0.00029 0.00614 0.00098 0.00032 0.00379 -0.00284 -0.00271 -0.00882 0.00170 -0.01445 0.00167 0.00920 -0.00706 0.01306 -0.00395 -0.00072 0.00112 0.00422 0.00528 0.01164 0.00431 -0.00398 0.00521 -0.00866 -0.00517 -0.00153 0.00105 0.00008 0.00907 -0.00022 0.00288 -0.00002 0.00014 -0.00025 -0.01889 -0.02137 0.00028 0.00013 0.01469 -0.00035 0.00466 -0.00004 0.00023 -0.00041 -0.03145 -0.03571 0.00024 -0.06623 0.03212 -0.11456 0.00592 0.04014 -0.14841 -0.02107 0.01611 0.00906 0.00207 -0.03713 -0.04032 -0.06232 -0.01178 0.02222 -0.08193 -0.01191 -0.03394 -0.01486 0.00146 0.01179 0.06382 0.01771 0.03663 -0.00705 0.02538 0.00431 -0.01484 0.00413 0.01756 -0.00038 -0.04620 0.00107 -0.01392 0.00020 -0.00062 0.00138 0.10692 0.12190 0.00279 -0.10536 0.05182 -0.18035 0.01167 0.06302 -0.22575 -0.03366 0.02280 0.01346 0.00175 -0.05901 -0.06638 -0.09788 -0.02307 0.03493 -0.12463 -0.01911 -0.04979 -0.02364 0.00520 0.01875 0.09831 0.02792 0.05686 -0.01106 0.03875 0.00677 -0.02689 0.00078 0.02734 -0.00096 -0.09508 0.00276 -0.03948 -0.00111 -0.00396 0.00256 0.28762 0.24106 -0.06066 -0.08805 0.04014 -0.16760 -0.00655 0.06495 -0.32295 -0.03403 0.04199 0.04875 0.04200 -0.05018 -0.07015 -0.09252 0.00021 0.03572 -0.17982 -0.01917 -0.07905 -0.08191 -0.07603 0.01470 0.01877 0.02767 0.02182 -0.01161 0.05407 0.00794 -0.00688 0.01986 0.00696 -0.00417 -0.02048 0.00463 0.01010 0.00510 -0.00835 0.00251 0.71502 -0.22258 -0.94091 -0.00812 -0.02719 -0.00196 -0.03746 0.02753 -0.21026 -0.03906 -0.01205 -0.05134 0.05713 -0.00815 0.04592 -0.00190 0.06756 0.01423 -0.11809 -0.01061 -0.29992 0.11453 -0.03330 0.00028 -0.01019 -0.00391 -0.00185 -0.00377 0.02930 0.00893 -1.02862 0.06285 0.11492 -0.00164 0.01496 0.00244 0.00451 0.00497 -0.00063 0.00386 0.00161 -0.00866 -0.00765 0.00491 0.00284 -0.00881 0.00437 -0.01534 0.00301 -0.01146 0.00532 0.00180 -0.00045 0.00422 -0.00061 -0.00536 -0.00754 -0.01073 -0.00081 -0.00951 -0.00828 -0.00935 -0.00298 0.00756 0.00590 -0.00585 0.00263 -0.01258 -0.01189 -0.01638 0.00039 0.00389 -0.00043 -0.00353 0.00901 0.00145 0.00224 0.00445 0.00791 0.00772 -0.00210 0.00338 -0.00145 0.00011 0.01502 -0.00016 -0.00022 -0.00001 0.00001 0.00006 0.00630 0.00650 -0.00151 0.00016 0.02287 -0.00025 -0.00028 -0.00002 0.00001 0.00008 0.00975 0.01066 -0.00195 0.00119 0.02915 -0.00918 0.00034 -0.02072 0.09407 -0.08896 -0.00562 0.00686 0.01033 0.00018 -0.04191 -0.00435 -0.00118 -0.01137 0.05173 -0.04884 0.00959 -0.00689 -0.01545 0.00003 0.03164 0.00147 0.00024 0.00418 -0.01877 0.01785 -0.00105 0.01414 0.00827 -0.00045 -0.05735 0.00099 -0.00332 0.00003 0.00031 -0.00023 0.00604 -0.05039 -0.03677 0.00275 0.04540 -0.01624 -0.00304 -0.03547 0.16753 -0.15716 -0.00812 0.00976 0.01571 0.00101 -0.06620 -0.00846 0.00622 -0.01929 0.09213 -0.08622 0.01415 -0.00771 -0.02469 -0.00021 0.04678 0.00259 0.00587 0.00706 -0.03319 0.03175 -0.00084 0.02467 0.00994 0.00227 -0.08082 -0.00801 0.06943 0.00334 -0.00989 -0.01458 -0.55842 0.06381 0.46683 0.00671 -0.01771 -0.00462 -0.00202 0.01004 0.13522 -0.15529 0.08249 -0.02327 -0.04444 0.00399 0.04643 -0.00495 0.04679 0.01013 0.07042 -0.08347 -0.10266 0.06047 0.06660 -0.00240 0.03970 -0.00748 0.12262 0.00732 -0.03398 0.03317 0.14453 0.05443 -0.05723 0.00052 -0.03558 -0.00299 0.05258 0.00213 -0.00151 0.00098 -2.71838 0.47839 2.49886 0.00608 0.00322 0.00045 -0.01054 0.00663 -0.02032 -0.02303 0.29640 -0.10163 -0.10332 0.00383 -0.00554 -0.00181 0.02150 0.00388 -0.01156 -0.01354 -0.37443 0.25253 0.09035 -0.00100 0.00225 -0.00059 0.00728 -0.00206 0.00525 0.00497 0.48988 0.21418 -0.30834 0.00195 0.01835 -0.00283 0.00129 -0.00253 0.00333 -0.00516 0.00641 -0.00145 -0.00123 -0.00452 -0.01714 0.00688 0.00519 0.00687 -0.00863 0.01418 0.00194 -0.00065 -0.00127 -0.00350 0.04099 0.00655 -0.00784 0.00693 -0.00991 0.01091 0.00528 0.00288 -0.00198 -0.00534 -0.00257 0.01234 0.00252 0.01551 -0.02528 0.01528 -0.00704 -0.00431 0.00481 0.00220 0.01006 -0.00591 -0.00026 -0.00776 0.01319 -0.00602 -0.01006 -0.00589 0.00730 0.00010 -0.01426 0.00112 -0.02043 0.00006 0.00005 -0.00020 -0.01900 -0.02795 -0.00411 -0.00025 -0.04384 0.00180 -0.03505 0.00023 -0.00016 -0.00054 -0.05780 -0.12092 -0.04114 -0.00097 0.00951 -0.00020 0.01748 -0.00102 -0.00092 0.00378 -0.61292 -0.14391 0.12181 -0.00082 -0.00110 0.00131 -0.00919 -0.00084 -0.00018 0.00179 -1.20885 -0.78597 -0.14765 -0.00543 0.00308 -0.00950 0.00127 0.00369 -0.01848 -0.00464 -0.00410 -0.00113 0.00461 -0.00307 -0.00549 -0.00506 -0.00302 0.00207 -0.01024 -0.00253 0.01097 0.00518 -0.00755 0.00095 0.00081 0.00160 0.00110 -0.00062 0.00319 0.00090 0.01155 0.00987 0.00237 0.00005 0.00451 0.00006 -0.00159 -0.00003 0.00005 0.00043 -0.00915 0.02226 -0.01796 0.00008 0.00745 0.00009 -0.00242 -0.00005 0.00008 0.00072 -0.01473 0.03677 -0.02905 -0.05599 -0.00066 -0.08794 -0.01325 0.00653 0.00691 0.00185 -0.01194 -0.00701 -0.00972 -0.03023 0.00940 -0.04951 0.01760 0.00366 0.00402 0.00241 0.02348 0.00894 0.01484 0.01150 0.02063 0.01380 0.01617 -0.00119 -0.00216 -0.00065 0.00024 -0.00962 -0.00896 -0.00048 -0.02330 -0.00031 0.00710 0.00004 -0.00029 -0.00229 0.03736 -0.10853 0.07942 -0.08368 -0.00462 -0.12992 -0.02138 0.00873 0.00438 -0.00441 -0.02173 -0.01510 -0.01811 -0.04515 0.02095 -0.07342 0.02993 0.00487 0.00299 0.00005 0.04063 0.01980 0.02823 0.01713 0.03202 0.02036 0.02588 -0.00157 -0.00207 0.00008 -0.00415 -0.02058 -0.01730 0.00311 -0.06789 0.00204 -0.02931 0.00191 0.00005 -0.00597 0.27323 -0.58189 0.45669 -0.05352 -0.00417 -0.11670 -0.02577 0.02354 0.03852 -0.00540 0.00714 -0.09103 0.03057 -0.03045 0.02143 -0.06627 0.03068 0.01242 0.01909 0.00131 0.00291 0.15721 -0.06393 0.01251 0.02714 0.01716 -0.00541 -0.00489 -0.01638 0.00101 0.02855 -0.04015 -0.01581 0.00446 -0.03693 -0.00802 0.03620 0.00497 -0.02894 -0.01982 2.75381 -3.15206 6.36103 -0.00606 0.01076 0.03320 -0.01004 -0.01653 0.05018 0.02002 0.04750 0.02013 0.11999 -0.00406 -0.00224 0.01892 0.00217 -0.00886 0.03065 0.01273 0.05438 -0.11615 -0.44128 0.00718 0.02994 -0.01203 -0.03449 0.00353 -0.03144 -0.01203 0.23557 -0.16155 -0.49252 0.00174 0.00161 0.00486 -0.00006 -0.00020 0.00048 -0.00188 -0.00124 0.00017 0.00105 -0.00329 -0.00017 -0.01031 -0.00063 0.00004 -0.00229 0.00480 0.00128 -0.00067 0.00123 -0.00100 -0.00090 -0.00178 -0.00184 -0.00050 -0.00324 -0.00229 -0.00050 0.00077 -0.00013 0.00253 0.00217 0.01492 0.00286 -0.00270 -0.01075 -0.02213 -0.00415 0.00134 -0.00168 -0.00285 0.00277 -0.01328 0.00226 0.00190 0.00664 0.01577 -0.00672 0.00204 -0.00268 0.00190 -0.01503 0.00652 -0.00595 -0.00058 -0.00138 -0.00211 0.00043 0.00264 0.00251 0.00289 -0.01260 0.00862 -0.00400 -0.00119 -0.00523 -0.00435 -0.00282 0.01405 0.00973 0.00300 0.00315 0.00142 -0.02637 -0.00136 -0.00805 -0.00667 -0.03742 0.17215 -0.31960 0.00507 0.03448 -0.00251 -0.02140 -0.00167 -0.01616 -0.00864 -0.51690 0.52246 -2.40305 -0.00375 0.00038 -0.00437 -0.00032 0.00020 0.00171 0.00098 -0.00045 -0.00147 0.00200 -0.00214 -0.00175 -0.00248 -0.00021 0.00026 0.00130 0.00050 0.00309 0.00047 0.00005 0.00104 -0.00257 0.00151 0.00008 -0.00006 -0.00038 -0.00019 0.00427 -0.00415 0.00795 0.04279 0.00746 0.07737 0.01587 -0.00779 -0.01423 -0.02931 -0.00130 0.00118 -0.00321 0.06458 0.01132 0.11367 0.02990 -0.00839 -0.02338 -0.06511 -0.00933 0.02116 0.00908 0.00700 0.00475 0.04601 -0.00678 0.00173 0.01176 -0.11576 -0.11121 0.15542 -0.35860 -0.01695 0.00430 0.06047 -0.01557 -0.03650 0.02578 -0.00014 -0.75103 1.28531 -1.19490 0.00258 0.00035 0.00369 0.00189 -0.00025 0.00051 0.00076 0.00300 -0.00600 0.00561 -0.00146 0.00064 -0.00318 0.00135 -0.00028 -0.00200 -0.00101 0.00493 -0.00059 0.00140 -0.00427 0.00109 -0.00477 -0.00158 -0.00011 0.00120 0.00009 -0.00386 0.00337 -0.00434 -0.04477 0.00625 -0.08479 0.00660 0.00828 0.01556 0.03149 -0.00123 0.00121 -0.00288 -0.06881 0.00925 -0.12489 0.01520 0.00886 0.02693 0.07056 -0.00940 0.01853 0.00732 -0.00654 0.00078 -0.04459 -0.01048 -0.00246 0.01340 0.12546 -0.12027 0.15798 -0.34575 0.01192 -0.00057 -0.05571 -0.01149 0.03534 -0.00278 0.01889 -0.81879 1.26477 -1.19602 0.00181 -0.00036 0.00170 -0.00230 -0.00032 -0.00171 -0.00054 -0.00702 0.00468 -0.00549 0.00405 0.00032 0.00613 -0.00029 -0.00001 0.00119 0.00146 -0.00033 0.00507 -0.00444 0.00305 0.00124 0.00316 0.00021 0.00026 -0.00090 -0.00018 -0.00177 0.00103 -0.00178 0.00001 -0.00170 -0.00007 0.00144 -0.00003 0.00008 -0.00002 -0.00631 0.00198 0.00627 0.00002 -0.00287 -0.00011 0.00241 -0.00006 0.00013 -0.00004 -0.01063 0.00326 0.01053 -0.02091 -0.05359 0.01927 0.00979 0.02349 -0.04948 0.04064 0.00175 0.00237 -0.00459 -0.01229 0.08323 0.01186 -0.01716 0.01349 -0.02755 0.02223 -0.00543 -0.00532 0.00898 0.00406 -0.04093 -0.00365 -0.00614 -0.00524 0.01038 -0.00839 -0.00742 -0.00233 0.00219 -0.00006 0.01062 0.00039 -0.00840 0.00017 -0.00038 0.00021 0.03749 -0.00980 -0.03647 -0.03057 -0.07770 0.02807 0.01405 0.03414 -0.07162 0.05983 0.00280 0.00321 -0.00742 -0.01795 0.12052 0.01726 -0.02475 0.01963 -0.03987 0.03274 -0.00785 -0.00797 0.01409 0.00595 -0.05979 -0.00526 -0.00930 -0.00764 0.01509 -0.01229 -0.00944 -0.00511 0.00221 -0.00023 -0.00713 0.00010 -0.00642 0.00031 -0.00124 -0.00068 0.05578 -0.03493 -0.06911 -0.02576 -0.06481 0.02394 0.01265 0.03128 -0.07646 0.05717 0.00095 0.00698 -0.00173 -0.01524 0.10454 0.01486 -0.02088 0.01797 -0.04279 0.03120 -0.01084 -0.00905 0.01031 0.00510 -0.03895 -0.00483 -0.00392 -0.00666 0.01568 -0.01179 -0.02660 0.01012 0.02041 0.00034 -0.01629 0.01056 -0.13431 -0.01057 0.01192 0.00521 0.01375 0.02055 -0.00872 -0.00536 -0.00509 0.00542 0.00930 0.00172 -0.03845 0.05809 -0.00590 -0.01272 -0.02131 -0.00287 0.00834 0.00306 -0.00154 0.00060 -0.01952 0.03238 0.02369 0.00889 0.02341 0.00103 -0.00371 -0.00443 0.03781 0.00293 0.00377 -0.01402 0.03180 -0.03737 -0.03819 -0.00027 0.00192 0.00013 -0.00000 0.00004 0.00092 -0.00101 0.00084 -0.00013 -0.00063 0.00076 0.00147 -0.00037 -0.00040 -0.00008 -0.00249 0.00271 0.00055 -0.00019 -0.00053 0.00042 -0.00152 -0.00024 0.00077 -0.00001 -0.00151 0.00154 -0.00023 0.00028 0.00030 -0.00009 0.00046 0.00014 -0.00028 0.00019 -0.00089 0.00054 -0.00022 -0.00010 0.00025 0.00024 0.00004 -0.00017 -0.00019 -0.00014 -0.00008 0.00033 -0.00051 -0.00002 0.00057 0.00000 -0.00133 0.00001 0.00062 0.00003 -0.00007 0.00003 -0.00987 -0.00370 0.00823 0.00000 -0.00225 0.00001 0.00103 0.00005 -0.00012 0.00006 -0.01651 -0.00623 0.01378 -0.00249 -0.03264 0.02294 0.00590 0.02414 -0.04415 0.04606 -0.00423 -0.00545 0.00038 -0.00054 0.05185 0.01202 -0.00932 0.01263 -0.02369 0.02502 0.00741 0.00701 -0.00229 -0.00042 -0.02291 -0.00364 -0.00104 -0.00449 0.00884 -0.00905 -0.00231 -0.00847 -0.00368 -0.00003 0.00865 -0.00001 -0.00364 -0.00013 0.00040 -0.00017 0.05570 0.02192 -0.04643 -0.00353 -0.04694 0.03332 0.00844 0.03478 -0.06450 0.06711 -0.00491 -0.00765 -0.00063 -0.00075 0.07449 0.01743 -0.01326 0.01816 -0.03464 0.03641 0.00850 0.00996 -0.00157 -0.00060 -0.03323 -0.00533 -0.00145 -0.00645 0.01287 -0.01321 -0.00366 -0.01158 -0.00664 0.00007 -0.01389 -0.00050 0.00411 -0.00030 0.00034 -0.00064 0.10989 0.03170 -0.09934 -0.00326 -0.03587 0.03024 0.00523 0.03295 -0.06391 0.07182 -0.01792 -0.01176 0.01151 -0.00068 0.05411 0.01570 -0.00689 0.01751 -0.03432 0.03925 0.03469 0.01532 -0.02399 -0.00066 -0.03343 -0.00459 0.00079 -0.00606 0.01282 -0.01394 0.00411 -0.01741 -0.00619 -0.00104 0.08708 -0.00167 0.06393 0.00780 -0.00229 0.00843 -0.01724 0.04304 0.06049 -0.00280 -0.01789 0.00327 -0.00464 -0.00294 -0.04818 0.04163 0.02637 0.01268 -0.04025 -0.00194 0.03422 0.00163 0.00813 0.00093 -0.02702 0.02616 -0.05225 -0.01608 0.06973 0.00075 0.00349 -0.00068 -0.00338 0.00066 0.00955 -0.00819 -0.01634 0.02078 -0.01106 -0.00001 -0.00048 -0.00012 0.00013 -0.00006 -0.00039 0.00029 -0.00050 -0.00003 0.00040 -0.00002 -0.00045 0.00044 0.00015 0.00022 0.00138 -0.00100 0.00002 -0.00005 0.00005 -0.00002 0.00095 0.00017 -0.00020 0.00012 0.00014 0.00004 0.00010 0.00007 -0.00023 0.00001 -0.00078 -0.00028 0.00010 0.00004 -0.00245 0.00242 -0.00066 0.00001 0.00059 -0.00004 -0.00086 0.00030 0.00011 0.00004 0.00185 -0.00174 -0.00099 0.00008 0.00086 -0.00000 0.00026 -0.00003 0.00023 0.00000 0.00002 -0.00002 -0.00003 -0.00980 -0.00598 -0.00001 0.00078 -0.00008 0.00067 0.00001 0.00006 -0.00007 -0.00018 -0.02831 -0.01728 0.00002 -0.00187 0.00016 -0.00130 -0.00003 -0.00011 0.00015 0.00116 0.05932 0.03643 0.00007 -0.00202 0.00037 -0.00295 -0.00006 -0.00025 0.00028 -0.00279 0.11330 0.06832 -0.00020 -0.00050 -0.00073 0.00574 0.00012 0.00056 -0.00051 0.01827 -0.20533 -0.11810 -0.00009 0.02244 -0.00084 0.01148 0.00010 -0.00014 -0.00037 -0.04857 -0.31265 -0.23270 0.00338 0.11863 0.01404 -0.19746 -0.00534 0.00840 -0.01769 -0.29580 -3.49344 -6.58073 -0.03133 0.00798 0.01463 -0.02798 -0.04106 0.00217 -0.08331 -0.01795 -0.21327 -0.13738 -0.01733 -0.02113 0.00283 0.05260 -0.02152 0.00033 -0.04687 0.06644 0.68902 0.67611 0.00493 -0.02434 -0.00310 0.00810 0.00821 -0.00256 0.01762 0.14457 0.91145 1.44188 -0.13970 0.02842 0.05292 -0.10502 -0.12692 -0.00708 0.04609 0.00442 0.00549 0.01019 -0.07883 -0.04867 0.01980 0.16282 -0.07104 -0.00406 0.02502 -0.01506 -0.03259 -0.03348 0.02462 -0.00046 -0.00411 -0.09503 0.02231 0.00131 -0.00812 -0.02407 -0.06958 -0.04856 0.05288 -0.01066 -0.02001 0.03964 0.04815 0.00273 -0.01765 -0.00172 -0.00217 -0.00400 0.02984 0.01823 -0.00750 -0.06147 0.02696 0.00156 -0.00959 0.00585 0.01284 0.01322 -0.00932 0.00009 0.00156 0.03585 -0.00847 -0.00050 0.00311 0.00932 0.02742 0.01926 0.15734 -0.03283 -0.06078 0.12143 0.14695 0.00840 -0.05616 -0.00518 -0.00615 -0.01165 0.08879 0.05629 -0.02265 -0.18811 0.08222 0.00485 -0.03043 0.01753 0.03678 0.03749 -0.02773 0.00058 0.00468 0.11015 -0.02582 -0.00159 0.00989 0.02807 0.07870 0.05344 0.35594 -0.06996 -0.13456 0.26498 0.33069 0.02000 -0.12882 -0.01323 -0.01799 -0.03495 0.20081 0.11931 -0.05073 -0.41196 0.18526 0.01132 -0.07015 0.04483 0.10633 0.11537 -0.06269 0.00023 0.01070 0.23693 -0.05821 -0.00361 0.02264 0.07053 0.22679 0.16623 0.16852 -0.03362 -0.07971 0.15225 0.22106 0.03092 -0.17780 -0.03359 -0.03722 -0.01368 0.09544 0.05134 -0.03040 -0.23463 0.12351 0.01806 -0.09737 0.10681 0.16896 0.15234 -0.03003 -0.01839 0.00579 0.14211 -0.03848 -0.00577 0.03156 0.15533 0.32062 0.41082 0.00841 0.00101 -0.00047 -0.00920 -0.00162 -0.00304 0.01436 0.02209 0.04012 0.04403 -0.02825 0.00415 0.00340 -0.00634 0.00568 0.00982 -0.04867 -0.00498 -0.01135 -0.00725 -0.01325 -0.00753 0.00089 0.00797 0.00230 0.00586 -0.02204 0.02373 0.04649 0.03787 0.01033 0.00287 -0.00156 -0.00401 -0.00368 0.00178 0.01892 -0.00791 -0.00996 -0.00677 -0.01216 0.00232 0.00178 -0.00339 0.00339 0.00111 -0.02142 -0.00611 -0.00273 0.00003 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 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 3 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 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 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 13 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 14 Cl 1S 2S 3S 4S 5S 6S 7S 7PX 7PY 7PZ 8PX 8PY 8PZ 9PX 9PY 9PZ 10PX 10PY 10PZ 11PX 11PY 11PZ 12PX 12PY 12PZ 13D 0 13D+1 13D-1 13D+2 13D-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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 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 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|3 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|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 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|13 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|14 Cl 1S|2S|3S|4S|5S|6S|7S|7PX|7PY|7PZ|8PX|8PY|8PZ|9PX|9PY|9PZ|10PX|10PY|10PZ|11PX|11PY|11PZ|12PX|12PY|12PZ|13D 0|13D+1|13D-1|13D+2|13D-2 1.10456 0.88481 0.19940 0.22208 0.19368 0.76353 0.49788 0.52558 0.49258 0.49053 0.32776 0.26914 0.07320 -0.12141 -0.00161 -0.03973 0.26960 0.02753 0.02554 0.03191 0.01389 0.01082 1.10438 0.88474 0.20396 0.23266 0.20129 0.75683 0.50800 0.54100 0.47830 0.50045 0.28873 0.16566 0.07248 0.51481 0.04033 0.11776 0.04230 0.02390 0.01450 0.01407 0.00843 0.00927 1.09541 0.89597 0.27557 0.26547 0.24587 0.87514 0.63017 0.61233 0.57382 0.59813 0.45547 0.34844 0.24703 -0.29390 -0.05463 -0.01603 -0.11338 0.01159 0.01150 0.01616 0.00771 0.00690 1.09595 0.89536 0.22583 0.21354 0.29273 0.94324 0.53039 0.51164 0.65396 0.81954 0.30832 0.16352 0.24372 -0.21003 0.02378 0.04747 0.07212 0.01216 0.01125 0.01868 0.01035 0.00975 1.09534 0.89589 0.27006 0.26092 0.26543 0.86739 0.62317 0.60448 0.60950 0.62007 0.42745 0.32327 0.30232 -0.18167 0.01362 0.09877 0.02071 0.00953 0.00906 0.01461 0.00771 0.00678 1.13247 0.85450 0.10553 0.17205 0.19859 0.64230 0.24480 0.32548 0.33076 0.26348 0.05181 0.03309 0.11618 -0.04227 0.00700 0.00299 -0.00684 0.08616 0.06586 0.10755 0.03482 0.03660 0.25803 0.36691 -0.12480 -0.01799 0.00953 0.01552 0.01274 1.10437 0.88487 0.21834 0.17902 0.24019 0.74437 0.52835 0.45198 0.56685 0.52265 0.28028 0.15197 0.35001 0.13013 0.00066 -0.01476 0.02209 0.01261 0.00837 0.00382 0.01150 0.01850 0.26724 0.46322 0.00431 0.00864 0.00531 0.00330 0.01380 0.26787 0.46113 0.01038 -0.00511 0.01111 0.00321 0.00801 0.26773 0.46095 0.00141 -0.01155 0.00728 0.00944 0.00549 1.07785 0.91685 0.40057 0.41497 0.36328 1.08182 0.80066 0.82397 0.75468 0.86310 0.59781 0.60190 0.40402 -0.24222 0.01965 0.02124 0.01542 0.00260 0.00123 0.00115 0.00004 0.00005 1.07785 0.91684 0.39570 0.37779 0.40558 1.08044 0.79361 0.77252 0.81159 0.86873 0.58270 0.47638 0.55956 -0.22542 0.01856 0.00471 0.01115 0.00061 0.00050 0.00154 0.00113 0.00112 0.77759 1.18732 0.89561 1.08719 1.01221 1.07623 -0.37405 -0.05043 -0.04153 -0.04497 1.54055 1.54239 1.54945 0.43171 0.42815 0.41486 0.39688 0.38048 0.31043 1.09034 1.01932 0.78216 0.45206 0.37868 0.16791 0.01378 0.00616 0.01290 0.00170 0.00144 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 C C N N N B H C H H H F F Cl -0.261262 -0.723846 0.305271 0.106735 -0.164374 0.237096 0.480055 -0.416166 0.234175 0.243417 0.259245 0.079369 0.066807 0.553477 1.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 8 12 13 14 C C N N N B C F F Cl -0.261262 -0.723846 0.305271 0.106735 0.315681 0.237096 0.320671 0.079369 0.066807 0.553477 1.00000 60.675 -20.756 87.762 5.022 5.533 94.085 61.931 -16.533 84.633 3.771 7.864 98.099 -7.3754 0.0021 0.0027 0.0029 27.5805 34.3283 65.8590 111.6116 120.6282 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 62.6484 110.5339 119.9544 218.4493 230.2992 263.8653 301.2746 317.0891 332.4631 518.0757 544.2429 608.4889 614.2027 709.3512 740.9229 755.5031 813.7636 1047.9186 1099.5440 1157.1822 1161.0899 1253.0597 1296.2967 1373.3159 1421.9561 1429.8393 1450.8094 1485.3022 1492.5593 1505.1534 1532.7213 1637.5719 3098.9492 3195.7691 3217.7531 3625.2117 17.5555 9.3163 4.4334 1.3485 3.1986 8.5498 4.6719 5.5487 12.4414 6.3216 8.1335 10.9071 11.6327 9.8315 8.9384 6.3723 1.1520 7.3240 1.8526 3.8939 1.5114 5.3214 2.8833 6.2532 3.8641 4.3846 3.3163 1.0704 1.7581 1.3573 2.4728 3.9873 1.0310 1.1080 1.1076 1.0849 0.0406 0.0671 0.0376 0.0379 0.1000 0.3507 0.2498 0.3287 0.8102 0.9997 1.4194 2.3794 2.5856 2.9147 2.8911 2.1430 0.4495 4.7386 1.3197 3.0721 1.2005 4.9229 2.8546 6.9486 4.6033 5.2815 4.1126 1.3913 2.3076 1.8117 3.4226 6.2999 5.8337 6.6670 6.7566 8.4003 0.1144 1.3969 0.5320 0.0911 0.1538 5.0603 9.9737 8.2274 12.2864 1.9443 10.1485 30.5989 29.6620 0.0402 38.5477 33.7419 91.9217 64.2838 29.1564 111.4551 23.7867 53.5236 290.1446 67.9897 100.1086 99.7168 225.7726 30.6189 30.7250 63.8640 161.7945 104.4839 0.0161 0.3184 2.0027 288.2675 0.01 -0.01 -0.02 0.06 0.02 -0.05 0.06 0.04 -0.01 0.13 0.10 -0.04 0.12 0.08 -0.06 0.02 0.03 -0.00 0.13 0.11 -0.08 0.02 0.02 0.02 0.14 0.11 -0.01 -0.05 -0.08 -0.08 -0.05 0.03 0.17 0.52 0.37 -0.11 -0.49 -0.28 0.15 -0.18 -0.16 0.04 -0.06 0.04 0.08 -0.09 -0.01 0.19 0.04 -0.01 0.01 0.04 -0.09 0.07 -0.04 -0.09 0.18 0.04 -0.05 0.02 -0.07 -0.16 0.24 0.15 0.03 -0.16 0.45 0.06 -0.24 -0.02 0.08 -0.40 0.13 -0.01 0.02 0.30 -0.27 -0.00 -0.05 0.07 -0.25 -0.18 0.18 0.01 -0.06 -0.05 -0.01 -0.18 -0.10 -0.01 0.02 0.02 -0.01 -0.07 -0.01 -0.01 -0.19 -0.08 -0.01 -0.02 0.02 -0.01 -0.23 -0.10 -0.01 0.25 0.15 -0.03 0.55 0.33 -0.10 0.07 0.20 -0.27 0.30 0.01 0.26 0.03 0.15 -0.02 0.15 0.06 0.04 -0.02 -0.10 0.02 -0.02 -0.03 0.00 -0.03 -0.04 -0.00 0.01 -0.01 0.01 0.02 0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.03 -0.01 -0.01 -0.00 -0.01 0.06 0.03 0.07 -0.46 -0.17 0.20 0.37 0.24 0.50 0.27 0.02 -0.43 0.02 0.01 -0.02 0.04 -0.02 0.01 -0.05 0.03 -0.03 0.04 -0.05 0.01 0.03 -0.05 -0.04 0.02 -0.01 0.04 -0.02 0.03 0.01 -0.01 0.01 -0.04 0.03 -0.08 -0.05 -0.03 0.03 -0.07 0.00 -0.01 0.22 0.34 0.33 0.15 -0.20 -0.26 -0.06 -0.13 -0.05 0.70 -0.02 0.00 -0.05 0.08 -0.13 0.06 -0.06 0.12 -0.08 0.29 0.15 -0.05 0.41 0.22 -0.08 -0.05 -0.03 0.01 -0.35 -0.18 0.06 -0.05 -0.03 -0.00 0.18 0.09 -0.03 -0.22 -0.12 0.02 0.17 0.09 0.01 0.12 0.10 0.02 0.21 0.32 0.07 0.38 -0.04 -0.08 -0.07 -0.05 0.02 -0.04 -0.03 0.01 -0.13 -0.06 0.00 0.24 0.13 -0.05 -0.05 -0.03 0.02 0.31 0.15 -0.06 0.05 -0.00 -0.01 -0.18 -0.12 0.04 -0.05 -0.00 0.02 -0.36 -0.23 0.09 -0.11 -0.07 0.06 -0.29 -0.14 0.10 -0.03 -0.43 0.17 -0.40 0.17 0.01 -0.01 0.02 0.01 0.01 0.05 -0.03 -0.05 -0.04 -0.00 -0.03 -0.07 -0.06 0.01 -0.01 0.01 -0.01 -0.11 -0.04 0.05 -0.10 -0.05 0.08 -0.07 0.00 -0.04 0.13 0.11 0.12 -0.08 0.03 0.09 -0.03 0.28 0.04 0.33 0.32 0.12 -0.14 0.33 0.18 -0.17 0.51 0.00 0.04 0.12 -0.16 0.24 -0.13 0.02 -0.04 -0.11 0.07 -0.08 0.17 0.06 -0.05 0.06 0.09 -0.17 0.13 0.09 -0.15 0.12 0.11 -0.11 0.10 -0.01 -0.03 -0.21 0.11 -0.14 0.14 0.12 -0.22 -0.03 0.16 -0.35 -0.06 0.09 -0.12 -0.07 0.11 -0.18 -0.12 -0.27 0.40 -0.24 -0.06 -0.01 -0.29 -0.03 0.11 0.15 -0.10 0.16 -0.10 -0.06 0.13 0.01 -0.03 -0.04 -0.27 0.06 -0.18 -0.22 0.06 -0.09 0.01 -0.06 0.06 -0.10 0.14 -0.21 0.18 0.01 0.02 0.10 -0.20 0.48 0.20 0.13 -0.16 0.28 0.11 -0.13 0.33 0.01 -0.07 -0.13 0.03 -0.02 0.11 0.01 0.05 0.20 -0.09 0.15 -0.05 -0.00 0.12 0.28 -0.08 0.10 -0.06 0.08 -0.12 0.10 0.08 0.00 0.35 0.04 -0.11 -0.04 0.10 -0.11 0.49 -0.12 0.23 0.03 -0.17 0.36 0.05 -0.09 0.17 0.08 -0.07 0.17 0.11 -0.06 0.09 -0.07 0.07 -0.15 -0.08 0.04 -0.12 -0.18 -0.26 -0.15 -0.01 0.09 -0.04 -0.03 0.03 0.06 -0.11 0.14 0.08 -0.12 -0.21 -0.13 -0.03 0.66 0.13 0.02 -0.24 -0.12 -0.06 -0.07 0.11 -0.02 -0.17 0.19 0.02 -0.01 -0.03 0.06 -0.11 0.13 0.03 -0.12 0.05 0.23 -0.07 -0.17 -0.15 0.01 0.04 0.08 -0.17 -0.08 0.11 -0.01 0.12 0.03 0.09 -0.01 0.13 0.13 0.06 0.12 -0.14 -0.06 0.14 0.22 0.46 -0.28 -0.11 -0.08 0.19 0.09 -0.16 0.02 0.13 -0.32 -0.00 0.05 -0.15 -0.03 -0.01 -0.05 -0.06 -0.06 -0.19 -0.30 -0.11 0.12 0.28 0.02 -0.05 -0.12 -0.33 -0.19 0.06 -0.06 -0.04 0.01 0.40 0.22 -0.07 -0.40 -0.23 0.07 0.30 0.15 -0.05 0.04 0.03 -0.01 -0.05 -0.05 0.01 0.03 0.04 -0.00 -0.09 -0.07 0.02 0.08 -0.32 0.07 -0.28 0.29 -0.04 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.01 -0.00 -0.35 -0.17 0.06 0.47 0.29 -0.08 0.08 0.04 -0.02 0.09 0.07 -0.03 -0.21 -0.08 0.04 -0.34 -0.19 0.07 -0.43 -0.22 0.10 0.03 -0.04 0.00 -0.02 -0.06 0.02 0.05 -0.15 0.02 -0.07 0.04 0.00 0.06 0.04 -0.00 0.07 0.02 -0.02 0.01 0.00 -0.01 0.08 -0.19 0.03 0.13 -0.16 -0.10 0.00 0.02 0.07 0.10 -0.12 0.10 0.08 -0.24 -0.07 -0.07 0.05 -0.02 0.15 -0.12 -0.18 -0.22 0.40 -0.04 -0.17 0.28 -0.06 -0.23 0.37 -0.05 -0.19 0.38 -0.05 0.00 -0.03 -0.09 -0.04 0.11 0.06 -0.01 0.03 0.03 -0.01 0.00 -0.00 0.01 0.01 0.00 0.03 0.02 -0.01 -0.03 -0.01 0.00 -0.08 -0.04 0.02 -0.01 -0.01 0.00 0.85 0.49 -0.16 0.01 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.02 0.01 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.17 0.28 -0.06 -0.14 0.19 -0.21 -0.01 0.07 0.18 0.09 -0.10 0.19 0.10 -0.23 -0.18 -0.10 0.16 -0.09 0.05 -0.22 -0.26 0.02 -0.02 0.10 0.27 -0.46 0.01 -0.14 0.14 -0.12 -0.03 0.11 -0.15 0.03 0.00 0.14 0.06 -0.15 -0.07 0.00 -0.01 -0.02 -0.01 0.01 -0.01 0.00 -0.01 -0.02 -0.02 0.02 -0.06 0.02 0.03 0.20 0.01 -0.02 -0.03 -0.00 0.01 -0.00 -0.13 0.13 -0.25 0.01 -0.05 -0.13 -0.33 0.56 0.02 0.29 -0.28 0.26 0.11 -0.27 0.31 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.09 -0.05 0.31 -0.07 0.13 0.03 0.02 -0.14 0.03 -0.01 -0.02 -0.11 -0.03 0.03 -0.06 -0.09 0.14 -0.09 0.13 -0.12 0.18 0.04 0.11 -0.10 -0.44 0.25 0.04 0.16 -0.44 0.08 -0.30 0.29 0.20 0.02 0.00 0.08 0.03 -0.08 -0.04 0.00 -0.02 -0.04 0.01 -0.02 0.08 -0.02 0.03 0.01 0.09 0.00 -0.01 -0.00 -0.00 -0.03 -0.01 0.01 -0.01 -0.03 0.04 -0.03 0.01 -0.04 0.05 -0.14 -0.05 -0.00 0.22 0.32 -0.08 -0.08 0.57 0.08 0.44 -0.50 -0.04 0.00 0.00 0.02 0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.05 -0.15 -0.20 0.01 -0.12 -0.30 -0.01 0.02 0.01 -0.00 0.00 0.02 -0.02 0.13 0.28 -0.14 0.20 -0.14 0.24 -0.13 0.73 -0.00 -0.00 -0.03 -0.03 0.03 -0.02 0.07 -0.07 0.06 0.03 -0.06 0.07 0.03 -0.01 0.11 0.03 -0.08 -0.04 -0.01 0.02 0.03 -0.05 0.10 0.05 -0.01 -0.02 -0.14 -0.00 0.06 0.17 -0.07 0.09 -0.11 0.07 -0.11 0.03 0.08 -0.13 0.07 0.35 -0.43 0.51 0.01 -0.04 -0.09 -0.18 0.28 -0.01 0.21 -0.05 0.19 -0.01 -0.13 0.26 -0.01 -0.00 -0.04 -0.02 0.05 0.02 0.00 -0.01 -0.01 0.08 -0.15 -0.03 0.01 0.04 0.18 -0.06 0.04 -0.18 -0.18 0.34 0.04 0.14 -0.27 -0.01 -0.09 0.21 0.10 0.31 -0.47 0.25 0.01 0.00 0.05 0.18 -0.28 -0.02 -0.07 -0.18 -0.07 0.13 -0.03 -0.17 -0.00 -0.01 -0.04 0.04 -0.09 -0.05 -0.00 0.00 0.01 0.02 -0.02 0.01 0.10 -0.13 0.13 -0.12 0.25 0.10 0.02 -0.09 -0.14 0.01 -0.02 -0.02 -0.09 0.18 0.03 -0.13 0.13 -0.29 0.08 -0.17 -0.03 -0.23 0.41 0.11 0.06 0.47 -0.04 -0.37 0.17 0.11 0.00 -0.01 -0.01 0.03 -0.06 -0.03 -0.00 0.00 -0.00 -0.05 0.02 -0.20 0.01 0.01 0.10 0.11 -0.14 0.18 0.00 -0.03 -0.06 -0.04 0.06 -0.03 -0.04 0.18 0.28 -0.09 0.13 -0.13 -0.07 0.11 -0.09 0.07 -0.30 -0.16 0.28 -0.16 0.39 0.13 -0.24 0.47 -0.02 -0.01 -0.11 0.04 -0.08 -0.05 -0.00 0.00 0.01 0.03 -0.03 0.08 -0.07 0.06 -0.16 -0.00 -0.01 -0.08 0.05 -0.05 0.09 -0.04 0.07 -0.01 0.04 0.05 0.32 0.13 -0.12 0.30 0.04 -0.06 0.06 -0.17 0.41 0.15 -0.26 0.20 -0.35 -0.15 0.24 -0.38 -0.02 -0.01 -0.12 0.02 -0.04 -0.03 -0.00 -0.00 -0.00 0.01 -0.00 0.03 0.00 -0.00 -0.01 -0.04 0.02 -0.00 0.01 -0.02 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 0.01 -0.04 -0.01 0.00 0.63 0.21 -0.17 0.30 -0.25 0.45 -0.13 0.19 -0.35 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.00 0.12 0.02 -0.04 -0.05 -0.08 0.14 -0.03 0.03 -0.07 -0.02 -0.01 0.02 -0.01 -0.00 0.02 0.06 0.00 0.00 0.03 -0.01 0.05 0.01 0.01 -0.47 -0.03 -0.04 -0.52 -0.04 0.51 -0.41 0.09 -0.00 -0.00 -0.02 0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.04 -0.07 0.01 -0.04 0.07 -0.00 -0.03 0.05 -0.06 0.03 -0.03 0.04 -0.02 0.02 -0.05 0.02 -0.04 0.01 0.12 -0.15 0.20 0.01 -0.02 -0.03 0.11 -0.43 -0.08 0.22 0.44 0.29 -0.29 0.05 0.52 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.04 0.11 0.15 0.02 -0.09 -0.14 0.02 -0.07 -0.10 -0.04 0.06 -0.03 0.06 -0.05 0.16 -0.01 0.04 0.06 -0.32 0.39 -0.50 -0.01 0.01 -0.00 0.11 -0.29 -0.05 0.10 0.32 0.16 -0.22 0.11 0.27 -0.00 -0.00 -0.02 0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.11 -0.23 -0.07 -0.17 0.29 -0.08 -0.03 0.08 0.09 -0.00 -0.02 -0.10 0.08 -0.09 0.15 0.05 -0.08 0.03 -0.36 0.42 -0.62 0.00 -0.01 -0.01 -0.04 0.10 0.00 -0.00 -0.14 -0.02 0.10 -0.08 -0.05 -0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.04 0.00 0.13 -0.03 0.47 0.49 0.01 -0.35 -0.39 -0.47 -0.15 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.08 -0.04 0.02 -0.00 -0.01 0.05 0.56 0.00 -0.42 0.44 0.53 0.18 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.09 0.23 -0.06 0.83 -0.31 -0.01 0.21 0.20 0.23 0.06 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.06 -0.05 -0.00 0.00 -0.00 -0.28 0.72 0.63 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 6 7 7 7 5 1 6 1 1 1 9 9 17 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 6 6 7 7 7 5 1 6 1 1 1 9 9 17 12.00000 12.00000 14.00307 14.00307 14.00307 11.00931 1.00783 12.00000 1.00783 1.00783 1.00783 18.99840 18.99840 34.96885 166.01549 1033.74187 2023.47741 3045.46829 -0.50348 0.00731 0.86398 0.82675 0.29455 0.47929 -0.25098 0.95561 -0.15434 asymmetric 1 0.08379 0.04280 0.02844 1.74583 0.89190 0.59260 243698.0 90.14 159.03 172.59 314.30 331.35 379.64 433.47 456.22 478.34 745.40 783.04 875.48 883.70 1020.60 1066.02 1087.00 1170.82 1507.72 1582.00 1664.93 1670.55 1802.87 1865.08 1975.90 2045.88 2057.22 2087.39 2137.02 2147.46 2165.58 2205.24 2356.10 4458.70 4598.00 4629.63 5215.87 0.092820 0.101841 0.102785 0.057594 -965.502800 -965.493779 -965.492834 -965.538025 63.906 31.512 95.112 0.000 0.000 0.000 0.889 2.981 41.229 0.889 2.981 30.233 62.129 25.550 23.650 1 0.597 1.972 4.372 2 0.606 1.941 3.260 3 0.609 1.933 3.101 4 0.646 1.813 1.972 5 0.652 1.795 1.877 6 0.670 1.739 1.636 7 0.693 1.671 1.410 8 0.704 1.641 1.325 9 0.714 1.611 1.248 10 0.873 1.210 0.614 11 0.899 1.152 0.556 12 0.967 1.014 0.435 13 0.974 1.002 0.426 0.322463e-26 -26.491521 -60.998981 0.159416e+17 16.202532 37.307709 0.424497e-40 -40.372125 -92.960254 1 0.329517e+01 0.517878 1.192459 2 0.185272e+01 0.267810 0.616654 3 0.170364e+01 0.231379 0.532769 4 0.906076e+00 -0.042835 -0.098632 5 0.855115e+00 -0.067975 -0.156519 6 0.734693e+00 -0.133894 -0.308303 7 0.630786e+00 -0.200118 -0.460788 8 0.593865e+00 -0.226312 -0.521103 9 0.561152e+00 -0.250920 -0.577764 10 0.312113e+00 -0.505688 -1.164390 11 0.289941e+00 -0.537691 -1.238079 12 0.243249e+00 -0.613949 -1.413670 13 0.239553e+00 -0.620598 -1.428979 0.209859e+03 2.321927 5.346435 1 0.383289e+01 0.583527 1.343620 2 0.241900e+01 0.383636 0.883355 3 0.227550e+01 0.357077 0.822200 4 0.153488e+01 0.186074 0.428451 5 0.149057e+01 0.173351 0.399156 6 0.138869e+01 0.142606 0.328362 7 0.130492e+01 0.115583 0.266139 8 0.127632e+01 0.105960 0.243983 9 0.125159e+01 0.097463 0.224417 10 0.108942e+01 0.037195 0.085644 11 0.107798e+01 0.032612 0.075093 12 0.105603e+01 0.023677 0.054517 13 0.105442e+01 0.023015 0.052995 0.100000e+01 0.000000 0.000000 0.840769e+08 7.924677 18.247243 0.903499e+06 5.955928 13.714031 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 11.5539 7.5568 0.8724 13.8333 -27.0338 -33.9405 -53.9012 12.1990 0.5527 5.1771 11.2580 4.3513 -15.6094 12.1990 0.5527 5.1771 -398.3066 -109.6352 -170.6524 -131.5842 -40.4047 -63.2531 -155.2303 -54.4111 -50.4075 15.0550 -2795.1658 -1029.5144 -996.3229 -250.9036 -598.8781 -179.6364 -140.3139 -580.3259 -99.0830 -703.3608 -677.3475 -346.4721 -9.3783 -168.7805 -83.5002 0 -965.5956194 2.425E-9 2.418E-5 0.0928197 0.1018409 -965.4937786 -965.4928344 -965.5380251 8.3700709,3.2351036,-11.6051745,9.0696626,0.4108963,3.8490456 C01 [X(C3H4B1Cl1F2N3)] -0.8390699 0.9914168 -1.6460157 0.108746 -0.1122297 -0.1601978 -0.087458 0.4203174 0.5966435 -0.0854372 0.4554258 1.0748099 -0.2346126 0.3189243 -0.0237521 0.2431619 -0.5091039 -0.0640429 -0.2662276 0.3730554 -0.3952563 -0.0451479 0.0937692 0.0188708 0.111737 -0.212713 -0.043195 0.1033959 -0.1918379 -0.0358714 -0.0443402 -0.0484012 -0.1787713 -0.0534859 0.1196472 0.1702688 -0.2032356 0.2269392 -0.4803063 -0.0928171 0.1184425 0.1964124 0.1350518 -0.3915606 -0.2582907 0.2461423 -0.3514865 0.2130509 1.304376 -0.7527424 0.2221346 -0.7158398 2.1558723 -0.0140076 0.3452416 -0.2354627 1.926609 0.3341718 -0.0248483 -0.0638686 -0.0217186 0.4099052 0.1231982 -0.0574512 0.1122604 0.3664837 0.2512169 -0.173531 0.0517226 -0.1707597 0.4345275 -0.1112619 0.0157598 -0.0508553 0.1078854 0.1270218 0.0290823 0.0092721 0.0152892 0.0829565 -0.0518953 -0.022196 -0.0002359 0.0491661 0.0781163 0.0176322 0.0303936 -0.0143785 0.0337877 0.065667 0.063602 0.0352777 0.0787046 0.0104712 -0.0048839 -0.0436244 0.0286878 0.0539067 0.0105539 -0.042284 -0.0190327 0.1234656 -0.3961841 0.1269532 -0.1722257 0.1035637 -0.4725306 0.0320096 -0.2423625 0.1577152 -1.0721623 -0.4906234 0.3704315 0.0535318 0.37492 -1.0555237 -0.1852263 0.0762127 -0.2252881 -0.5380906 0.0896054 0.0414014 0.0601019 0.0512291 -0.0694886 -0.2704213 0.0688399 -0.2864748 -0.4184882 60.6747221|-20.7555625|87.76213|5.0215675|5.5330025|94.0845457 -0.000015943 -0.000027708 -0.000009981 -0.000011872 0.000001724 0.000005296 0.000050406 0.000012001 0.000019377 -0.000016856 0.000027329 -0.000022977 0.000028668 0.000028539 -0.000001121 -0.000032417 -0.000003143 -0.000003500 0.000024333 0.000032782 -0.000024681 0.000006604 0.000013018 0.000003589 0.000039294 0.000024453 0.000003896 0.000009624 0.000004223 -0.000002566 0.000001582 0.000009137 0.000036714 -0.000037178 -0.000051400 -0.000003244 -0.000006707 -0.000029739 -0.000027682 -0.000039538 -0.000041214 0.000026880 162.3130064 AuxInfo=1/0/N:8,2,1,6,14,12,13,5,4,3/E:(6,7)/CRV:2.3,3.3,9.2/rA:14nC3C3NN2NBHCHHHFFCl/rB:s1;s1;s3;s2s4;s2;s5;s3;s8;s8;s8;s6;s6;s1;/rC:2.5544,1.6105,1.1739;3.1522,.421,.8141;2.0549,2.1479,.0281;2.2991,1.3886,-1.0074;2.9441,.3724,-.5293;3.9105,-.6793,1.623;3.2356,-.3568,-1.172;1.3375,3.4145,-.1353;1.0449,3.4846,-1.179;.4602,3.407,.5089;2.0048,4.2322,.1334;4.0958,-.542,2.9092;4.3567,-1.7324,.9768;2.3991,2.3587,2.6726;