Gaussian 09 11-May-2021 Gaussian 09 24-Apr-2013 AM64L-G09RevD.01 RwB97XD GenECP SP # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSymm Pop=(Regular,Orbitals=20,NBO,SaveNBOs) 145.85840960000002 0 1 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5987,.0264,-.0359;-.3181,-1.4023,.7805;-1.6599,-1.5023,.5058;.2136,-.4273,.0089;-.7022,.1175,-.7547;-1.7902,-.5389,-.4351;-2.9219,-2.434,1.0221;-2.655,-.2948,-.9015;2.2398,-.8118,-.3034;1.6592,.8062,-.7903;1.8782,.4196,.94;-3.9328,-2.0298,.4596;-2.6248,-3.778,.6761;-3.0054,-2.2988,2.4313;.4406,-2.0632,1.6107; g09 Output=MeQFBF2-H2_NBO.log NProcShared=4 Mem=14GB Chk=MeQFBF2-H2_NBO_NBO.chk # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSym 1/6=300,38=1/1 2/12=2,15=1,17=6,18=5,40=1/2 3/5=7,11=2,16=1,17=8,25=1,30=1,70=2201,72=13,74=-58/1,2,3 4//1 5/5=2,7=300,38=5,53=13/2 6/28=1,40=1,73=1,87=20/1,7 99/5=1,9=1/99 MeQFBF2-H2 NBO NBO (5D, 7F) 1 6 No pseudopotential on this center. 2 6 No pseudopotential on this center. 3 6 No pseudopotential on this center. 4 7 No pseudopotential on this center. 5 7 No pseudopotential on this center. 6 7 No pseudopotential on this center. 7 5 No pseudopotential on this center. 8 1 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 1 No pseudopotential on this center. 13 9 No pseudopotential on this center. 14 9 No pseudopotential on this center. 15 9 No pseudopotential on this center. 15 15 15 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 145.85840960000002 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5987,.0264,-.0359;-.3181,-1.4023,.7805;-1.6598,-1.5023,.5058;.2136,-.4273,.0089;-.7022,.1175,-.7547;-1.7902,-.5389,-.4351;-2.9219,-2.434,1.0221;-2.655,-.2948,-.9015;2.2398,-.8118,-.3035;1.6592,.8061,-.7903;1.8782,.4196,.94;-3.9328,-2.0298,.4596;-2.6248,-3.778,.6761;-3.0054,-2.2988,2.4313;.4406,-2.0632,1.6107; 0.000000 2.526268 0.000000 3.639811 1.373183 0.000000 1.458168 1.352317 2.216359 0.000000 2.412249 2.194134 2.264843 1.310976 0.000000 3.458792 2.095278 1.352917 2.055439 1.310216 0.000000 5.254398 2.811107 1.651523 3.858089 3.820245 2.644954 0.000000 4.352700 3.084942 2.104512 3.012537 2.001213 1.012440 2.889311 0.000000 1.088632 2.840247 4.042168 2.085888 3.118126 4.041377 5.570666 4.958247 0.000000 1.086608 3.354783 4.245525 2.061509 2.460004 3.719320 5.896584 4.453797 1.786564 0.000000 1.088667 2.858063 4.049640 2.086829 3.101861 4.033172 5.584837 4.944793 1.786942 1.786414 0.000000 5.922039 3.682717 2.333818 4.468076 4.064724 2.759356 1.225454 2.548689 6.337761 6.393340 6.324343 0.000000 5.728640 3.312842 2.477635 4.441640 4.573597 3.524576 1.419187 3.823932 5.781180 6.443313 6.161582 2.194077 0.000000 5.717662 3.278759 2.480460 4.442141 4.614525 3.576382 1.418118 3.904715 6.099424 6.463581 5.784734 2.195413 2.326657 0.000000 2.901535 1.304483 2.438736 2.300721 3.414168 3.389006 3.433733 4.361367 2.909854 3.934814 2.946274 4.522492 3.634606 3.550239 0.000000 2.4943481 0.8608520 0.7387717 15 -606.005433220 PT693S 2021-05-11T23:27:11.000 -14.56694 -10.45732 -10.37237 -10.35176 -6.87658 -1.41411 -1.30275 -1.24225 -1.21425 -1.11086 -0.98325 -0.91584 -0.81879 -0.77574 -0.73624 -0.67280 -0.65489 -0.63096 -0.62137 -0.60565 -0.57296 -0.56734 -0.55304 -0.53041 -0.52848 -0.51348 -0.48374 -0.45488 -0.44705 -0.43030 -0.42998 -0.38148 -0.35687 -0.00546 0.03169 0.04710 0.06222 0.06659 0.07352 0.07920 0.09024 0.09857 0.10138 0.11106 0.11486 0.12767 0.13652 0.13905 0.15168 0.15424 0.16181 0.16592 0.18020 0.18340 0.18708 0.19922 0.20566 0.21824 0.22705 0.23837 0.23855 0.24634 0.25652 0.26326 0.26974 0.27526 0.28449 0.29252 0.30360 0.30677 0.31578 0.32554 0.33457 0.34231 0.35837 0.36774 0.37337 0.38189 0.38720 0.39034 0.39803 0.42164 0.42805 0.43440 0.43647 0.45416 0.46081 0.46796 0.47982 0.49746 0.50592 0.51494 0.53837 0.54141 0.54922 0.57284 0.57923 0.62250 0.63853 0.64999 0.66688 0.67127 0.68052 0.68519 0.69302 0.71540 0.72170 0.75201 0.76354 0.81914 0.83012 0.83594 0.83950 0.87005 0.87565 0.88977 0.91055 0.93791 0.96156 0.98436 1.00098 1.04371 1.05846 1.08023 1.11199 1.13139 1.20431 1.21652 1.27982 1.28338 1.31570 1.33184 1.34696 1.36956 1.38717 1.39941 1.41979 1.46731 1.48021 1.49419 1.49868 1.50488 1.51779 1.52992 1.53366 1.56065 1.56587 1.57700 1.59552 1.61894 1.63824 1.66789 1.68644 1.71856 1.79211 1.80429 1.83528 1.86474 1.88572 1.89068 1.92006 1.93768 1.99993 2.01459 2.02304 2.07430 2.12221 2.13021 2.15653 2.16554 2.17238 2.18150 2.27238 2.32334 2.32880 2.34059 2.39477 2.40057 2.50957 2.54252 2.55789 2.57616 2.60817 2.63423 2.65997 2.71194 2.72466 2.74688 2.77361 2.79858 2.84298 2.85276 2.93394 2.93989 3.00017 3.04986 3.05919 3.09141 3.19569 3.28655 3.36078 3.50538 3.59672 3.72590 3.73169 3.77680 3.81483 3.82501 3.88308 3.91467 3.93282 3.94555 3.96704 3.99112 3.99977 4.04891 4.06911 4.08134 4.15071 4.16506 4.20565 4.20657 4.30232 4.35048 4.58097 4.73615 4.76466 4.94977 5.00773 5.09773 5.67709 6.37478 6.47478 6.49543 6.53142 6.53486 6.57159 6.60985 6.68945 6.87203 14.75151 23.75707 24.02256 24.18522 35.49231 35.61285 35.69738 66.90097 67.00286 67.04512 34 35 36 37 38 39 40 41 42 43 O|O|O|O|O|V|V|V|V|V -0.44705 -0.43030 -0.42998 -0.38148 -0.35687 -0.00546 0.03169 0.04710 0.06222 0.06659 0.00004 -0.00011 0.00076 0.00002 0.00141 0.00005 -0.02557 0.01075 0.00121 -0.00008 0.00006 -0.00017 0.00126 0.00003 0.00228 0.00009 -0.04150 0.01789 0.00143 -0.00011 0.01184 0.00243 0.00047 0.00001 0.01034 -0.00026 0.01746 0.00501 0.00734 -0.01118 -0.03997 -0.00656 -0.00852 0.00109 0.00793 0.00144 0.00416 0.01034 -0.02513 0.03774 -0.04243 -0.00991 0.00785 0.00042 -0.00439 0.00084 0.00131 -0.00800 0.02982 0.03651 -0.00023 0.00028 -0.00288 -0.00021 -0.00646 -0.00034 0.11067 -0.06138 0.01178 -0.00015 0.01735 0.00342 0.00131 0.00019 0.01590 0.00227 0.03365 0.00827 0.00182 -0.02395 -0.05831 -0.00914 -0.01283 0.00105 0.01168 -0.00645 0.00815 0.02229 -0.05175 0.08277 -0.06199 -0.01416 0.01210 0.00007 -0.00626 -0.00788 0.00240 -0.01787 0.05749 0.08048 -0.00015 0.00370 -0.01841 0.00188 -0.01072 -0.00038 0.74191 -0.12193 -0.23377 0.00665 0.01552 0.00292 0.00549 -0.00490 0.01699 -0.00266 -0.17025 0.05262 0.13023 -0.00959 -0.05282 -0.01146 -0.01105 0.01545 0.01114 0.00889 -0.04855 0.01503 0.02196 0.01249 -0.05613 -0.01638 0.01122 0.01468 -0.00628 0.00429 -0.00095 0.00159 0.01881 0.01159 0.00410 -0.00057 -0.01448 0.00064 -0.01703 -0.01132 7.45226 -1.72219 -2.92646 0.17248 -0.00523 0.00130 0.00165 -0.00236 0.01187 -0.01451 -0.18661 0.06963 0.75878 -0.33799 0.01211 -0.00188 -0.00736 0.00826 -0.00119 0.05556 -0.05192 0.37446 -1.28986 1.02089 0.01522 -0.00581 0.00562 0.00619 0.00310 0.04059 0.00555 -0.34476 1.61170 0.97379 -0.00568 -0.00094 0.00004 -0.00183 0.00067 -0.00013 -0.00307 -0.00133 -0.00322 -0.00366 -0.00988 -0.00229 0.00030 -0.00026 -0.00098 0.01858 0.00047 0.00155 -0.00095 -0.00494 -0.00337 -0.00095 0.00103 -0.00004 -0.00088 0.00591 -0.00245 0.00032 -0.00401 -0.00123 0.00271 0.00072 0.00018 -0.00081 -0.00151 -0.01033 0.00429 0.00277 0.00355 0.00069 -0.01046 -0.00211 -0.00075 -0.00078 0.00067 0.01597 0.00303 -0.00037 0.00430 -0.00584 -0.00005 0.00138 -0.00754 0.00028 0.01051 -0.00002 -0.00214 -0.00865 0.00481 -0.00023 -0.00007 0.00228 -0.01247 0.00047 0.01692 -0.00004 -0.00407 -0.01461 0.00821 -0.00036 -0.00986 -0.00191 -0.01532 0.03119 0.03564 -0.01761 -0.00832 0.00085 -0.02162 0.01447 0.03524 0.01636 0.00567 -0.10333 0.00659 0.06012 0.01161 -0.01073 0.00436 -0.04469 0.03687 0.01936 -0.00701 -0.10980 0.00866 0.06389 -0.01310 0.00789 -0.01223 -0.04663 0.00009 -0.00739 0.04000 -0.00140 -0.04798 0.00025 0.03137 0.05588 -0.02689 0.00009 -0.01616 -0.00391 -0.02100 0.05153 0.04703 -0.02799 -0.01709 0.01930 -0.05132 0.02346 0.05782 0.02711 0.01121 -0.17190 0.00717 0.09595 0.01850 -0.01025 0.00633 -0.07068 0.06021 0.03246 -0.01228 -0.18263 0.01431 0.10202 -0.02212 0.01102 -0.02453 -0.07308 0.00088 -0.00766 0.04381 -0.00338 -0.13160 -0.00197 -0.12515 -0.00053 0.20561 0.00249 -0.01203 -0.00310 0.00059 0.04367 0.09079 -0.04632 0.11585 -0.04695 -0.13396 0.04960 0.03262 0.01411 0.01739 -0.14269 -0.00197 0.15066 -0.02650 -0.10632 0.04929 -0.15360 0.03629 0.01909 -0.01288 -0.15048 0.03498 0.16007 0.05808 0.07967 -0.08700 -0.16502 0.04013 -0.10704 0.29829 0.01852 0.85822 0.07236 -0.62488 -0.70838 20.80767 -0.45477 -0.01570 0.03013 -0.05172 -0.00085 -0.14132 -0.02174 0.38223 0.26194 -5.76200 0.11469 -0.00075 -0.01083 -0.00571 -0.00228 0.00685 0.03141 0.14214 -0.34630 0.16341 0.01835 0.00613 -0.01892 -0.01433 -0.00684 -0.04600 0.03658 -0.01796 0.43549 -1.74853 0.05125 -0.01465 -0.00552 0.00131 0.02038 -0.00259 0.01141 0.00031 -0.00097 -0.00183 0.00316 0.00637 -0.00087 0.00781 0.01209 -0.00965 -0.02178 0.00423 -0.01105 0.00763 -0.01274 0.00216 0.00017 0.00022 0.00310 -0.00053 -0.00653 -0.00724 0.00700 -0.01464 -0.00300 -0.01061 -0.00328 0.00173 0.00315 -0.00178 0.01751 0.00048 -0.00279 0.00491 0.00804 0.00102 0.00020 -0.00833 0.01717 0.00959 -0.01538 -0.00233 0.00836 -0.00217 -0.00974 0.00031 -0.00406 0.02383 -0.00082 -0.02845 -0.00003 -0.00369 0.00385 -0.00750 0.00044 0.00050 -0.00655 0.03845 -0.00133 -0.04623 -0.00004 -0.00616 0.00691 -0.01246 0.00074 0.00443 -0.01456 0.06966 0.02569 -0.08088 -0.01553 0.00223 0.00025 0.01088 -0.01984 -0.01206 -0.00311 0.06564 -0.09777 -0.05541 0.05282 0.00242 -0.00435 0.00336 0.06527 -0.01475 0.01511 -0.04035 -0.10127 0.03404 0.05609 -0.00109 0.00624 0.00546 0.06918 -0.00122 0.01846 -0.10753 0.00379 0.12981 -0.00021 0.01956 -0.04017 0.04869 -0.00293 0.00808 -0.02126 0.10079 0.04291 -0.12303 -0.02397 0.01366 0.00894 0.01830 -0.03186 -0.02318 -0.00457 0.09778 -0.16107 -0.08153 0.08203 0.00553 -0.01187 0.00142 0.10365 -0.02762 0.02263 -0.06099 -0.16770 0.04967 0.08686 -0.00046 0.01659 0.01267 0.10970 -0.00384 0.01931 -0.11883 0.00722 0.29692 0.00434 0.23134 0.25045 -0.11811 -0.00023 -0.00213 -0.01274 0.05796 0.03741 -0.04213 -0.04428 0.03866 -0.01665 -0.10303 -0.05748 0.00105 0.00863 0.04773 -0.13900 -0.06741 0.13776 0.04931 0.12414 -0.01863 0.19744 0.00193 0.02330 -0.02526 -0.13945 0.05792 0.14982 -0.03433 -0.11223 0.00534 0.21174 -0.04873 0.07318 -0.12061 -0.01967 -0.58666 -0.06808 2.09221 4.85844 -15.37586 0.16259 -0.01896 0.03996 -0.14663 -0.00326 -0.38996 -0.06220 -0.76045 -1.06285 -7.75891 0.21751 0.01525 0.02767 -0.03340 -0.01360 -0.04868 0.11984 -0.46198 0.62414 -1.78269 0.09810 0.00497 0.04953 0.00092 -0.00965 -0.05757 0.10980 0.21435 -0.90663 -0.46234 -0.00316 0.01520 0.00331 0.00153 0.00530 0.00535 0.02250 -0.00337 -0.00080 -0.00276 -0.00107 0.00285 0.00225 -0.00267 -0.01679 0.00040 0.01087 0.00056 0.00738 -0.00127 -0.00498 0.00004 0.00145 -0.00655 -0.00512 -0.00119 0.00269 -0.00162 -0.00375 -0.00230 -0.00117 0.00581 0.00150 -0.00466 0.01180 -0.00924 0.00510 0.00499 0.00453 0.00322 0.00173 0.00701 0.00204 0.00317 -0.01306 -0.00417 0.01625 0.00308 -0.00505 0.00403 -0.00481 0.00017 -0.00117 0.00688 -0.00017 -0.00619 -0.00007 -0.00003 -0.00322 -0.00949 0.00054 0.00029 -0.00192 0.01132 -0.00028 -0.01019 -0.00012 -0.00022 -0.00554 -0.01600 0.00092 -0.02479 -0.00804 0.01232 0.00073 -0.01343 0.03210 -0.01256 0.00994 0.00419 -0.00432 0.08483 0.01930 0.00284 -0.00427 -0.01434 -0.10962 -0.00735 0.00463 -0.00321 0.01352 0.09089 0.02119 0.00189 -0.00375 0.00867 -0.11678 0.00307 -0.00036 0.00411 0.01374 -0.00102 0.00643 -0.03744 0.00092 0.03320 0.00028 0.00659 0.02365 0.05858 -0.00337 -0.03861 -0.01274 0.02069 0.00059 -0.02166 0.04917 -0.01454 0.01430 0.00272 -0.00654 0.13250 0.03016 0.00299 -0.00453 -0.02205 -0.16812 -0.01174 0.00909 0.00011 0.02069 0.14177 0.03254 0.00472 -0.00376 0.01295 -0.17914 0.00651 -0.00283 0.00055 0.02147 -0.00042 0.00670 -0.04597 0.00122 0.05613 0.00172 -0.03402 0.00011 0.11089 -0.00709 -0.03828 -0.01182 0.01637 0.00251 -0.01797 0.07026 -0.13933 0.05899 0.07242 -0.01324 0.13015 0.03014 0.01341 -0.01432 -0.02161 -0.23963 -0.04813 -0.00460 -0.04147 0.04013 0.14072 0.03552 -0.00637 -0.01318 0.01364 -0.25411 0.00572 0.02435 0.05953 0.03699 -0.00050 -0.01574 0.03848 0.00109 0.13802 0.00624 -1.71303 1.79498 -0.01930 -0.01168 0.00340 -0.01083 0.02504 -0.00622 -0.05808 0.05033 -1.50695 -0.91826 1.24410 -0.01342 -0.00088 -0.00486 0.05754 0.00531 0.03145 -0.18531 -0.78319 -0.46291 0.93490 -0.03750 0.00091 0.01618 -0.04675 0.00574 -0.04637 -0.19349 0.32129 0.17448 -0.56443 -0.05155 0.00200 0.00246 0.00172 -0.02293 0.00173 -0.01189 -0.00265 0.00415 -0.00343 -0.01149 -0.00619 -0.00077 -0.00224 0.00039 0.00189 -0.01114 -0.00030 -0.00002 0.00167 0.00480 -0.00196 0.00010 -0.00307 0.00068 0.00034 -0.00288 -0.00431 -0.00306 -0.00014 0.00180 0.00421 0.00256 -0.00376 -0.01145 -0.00041 0.00017 0.00283 -0.00710 0.00477 -0.00871 -0.00471 -0.00039 0.00119 -0.00675 -0.00261 -0.01310 0.00365 -0.00325 0.00157 0.00071 -0.00030 0.00119 -0.00750 0.00000 -0.00012 0.00004 -0.00799 -0.00459 0.00264 0.00011 -0.00048 0.00193 -0.01215 0.00000 -0.00031 0.00007 -0.01318 -0.00779 0.00428 0.00019 0.00096 -0.00100 0.02904 -0.03252 -0.00912 -0.03940 -0.00002 0.00865 -0.00259 -0.00605 -0.00010 -0.02083 0.04851 0.10952 -0.01832 0.13469 0.01144 0.01151 0.00067 0.02112 -0.00241 -0.00717 -0.04017 0.11741 0.00975 0.14297 -0.01025 -0.00853 0.00201 0.02281 0.00133 -0.00489 0.03092 0.00010 0.00457 -0.00021 0.04154 0.02877 -0.01212 -0.00101 0.00151 -0.00124 0.04385 -0.05064 -0.01459 -0.05930 -0.00271 0.01272 -0.00469 -0.00828 -0.00052 -0.03227 0.07347 0.17069 -0.02901 0.20279 0.01753 0.02193 -0.00130 0.02775 -0.00404 -0.01160 -0.06109 0.18292 0.01547 0.21528 -0.01655 -0.01730 0.00498 0.03039 0.00188 -0.00541 0.04102 -0.00016 0.00415 -0.00063 0.09134 0.08612 0.00431 -0.00021 0.00219 -0.00251 0.04459 -0.05058 -0.01540 -0.08531 0.00828 0.02017 0.02700 -0.01659 0.00013 -0.02971 0.06254 0.17102 -0.02387 0.29225 0.01873 -0.02751 0.00242 0.06453 -0.00294 -0.01140 -0.04994 0.18292 0.01048 0.30999 -0.01375 0.03119 0.01218 0.06609 -0.00621 0.05095 -0.18829 -0.00509 -0.53704 -0.04005 -0.63318 -0.91600 -1.31907 0.00594 0.00016 0.00520 -0.01563 -0.00213 0.04744 -0.05234 0.77637 0.78652 -0.22526 -0.02792 0.00336 -0.00721 0.02922 0.00698 0.07407 0.21339 0.19831 0.17488 -0.04769 -0.10141 0.00178 0.01007 -0.02977 0.00631 -0.05644 0.21475 0.02144 0.05488 -0.01005 -0.11685 0.00527 -0.00043 -0.00013 0.01276 0.00020 0.00017 -0.00058 -0.00431 -0.00034 0.00295 0.01174 0.00343 0.00061 -0.00376 0.00045 0.00038 0.00265 0.00165 0.00262 0.00565 0.00342 0.00020 0.00498 -0.00145 -0.00103 0.00014 -0.00122 0.00366 -0.00435 0.00178 -0.00384 -0.00235 0.00104 0.00829 -0.00075 -0.00006 0.00196 0.00773 0.00112 -0.00183 0.01168 0.00313 -0.00136 0.00063 -0.00079 0.00033 -0.00138 0.00209 -0.00046 0.00582 -0.00014 0.00113 -0.00722 0.00008 0.00080 0.00004 0.00058 -0.01997 -0.00109 0.00014 -0.00022 0.00185 -0.01186 0.00014 0.00134 0.00006 0.00096 -0.03308 -0.00181 0.00023 0.02413 0.00991 -0.01871 -0.00128 -0.00395 0.03119 -0.01506 -0.03893 -0.00173 0.01008 -0.08510 -0.01811 -0.03570 0.00513 0.00990 -0.10715 0.00073 0.00946 0.00427 -0.03304 -0.08852 -0.02948 0.02653 0.00488 -0.00857 -0.11427 -0.00518 -0.02053 -0.00739 -0.03446 0.00059 -0.00577 0.03648 -0.00053 -0.00221 -0.00005 -0.00243 0.10846 0.00714 -0.00079 0.03761 0.01579 -0.02996 -0.00250 -0.00903 0.04767 -0.01917 -0.05772 0.00047 0.01435 -0.13284 -0.02863 -0.05544 0.00947 0.01687 -0.16393 0.00134 0.01934 0.00869 -0.04785 -0.13829 -0.04642 0.04097 0.00909 -0.01552 -0.17479 -0.00717 -0.03568 -0.01269 -0.04982 0.00229 -0.00766 0.05382 0.00139 -0.01401 -0.00169 0.00631 0.23896 0.02344 -0.00172 0.03771 0.00689 0.00961 -0.00072 -0.02267 0.06754 -0.05360 -0.14308 0.04450 0.02798 -0.12733 -0.03251 -0.02106 0.00161 0.00802 -0.22954 0.01176 0.03391 -0.02497 -0.09162 -0.13308 -0.03967 0.01971 0.00254 -0.01081 -0.24529 -0.02632 -0.07287 0.02966 -0.09985 0.00840 -0.02244 0.11060 0.00389 0.32129 0.03000 0.57913 -0.44083 0.97518 -0.07449 0.01275 -0.02155 0.09211 -0.00334 0.18398 0.07361 -0.29769 -0.87944 1.22963 -0.02433 -0.01510 -0.01962 0.01601 0.01433 0.07783 -0.18257 0.69859 1.21706 0.47229 -0.04016 -0.01565 -0.02339 0.00342 0.01498 -0.02491 -0.19935 -0.73486 -1.38586 -0.11224 0.05700 -0.00034 0.00133 0.00415 -0.01913 -0.00075 -0.00089 -0.00035 0.00118 0.00045 0.00972 -0.00143 -0.00284 0.00598 0.01035 -0.00669 0.01351 0.00039 -0.00578 0.00278 -0.00114 -0.00046 -0.00044 -0.00109 0.00354 0.00048 0.00397 -0.00404 -0.00062 -0.00529 -0.00025 0.00051 0.00240 -0.00261 -0.01516 -0.00135 -0.00795 -0.00001 -0.00443 0.00039 0.00530 -0.00149 0.00044 -0.00858 0.00351 0.00638 0.01142 0.00095 0.00390 -0.00101 0.00198 0.00018 -0.00243 0.01430 0.00000 0.01732 0.00005 -0.00178 -0.00540 -0.00394 0.00032 0.00026 -0.00352 0.02067 0.00001 0.02637 0.00009 -0.00277 -0.00836 -0.00609 0.00050 -0.00033 0.00152 0.00411 0.00121 0.11621 -0.00151 -0.00070 -0.02524 -0.00269 -0.00319 0.00055 0.00142 -0.05693 0.00251 -0.01414 0.00402 0.00510 0.00176 0.01176 0.01066 0.00217 -0.01764 0.04596 0.00226 0.03713 0.00411 -0.00456 -0.00618 -0.00985 0.01286 -0.00058 0.00790 -0.04520 0.00022 -0.06292 0.00024 0.01345 0.01888 0.02696 -0.00174 -0.00070 0.00379 0.00245 0.00192 0.16263 -0.00279 -0.00132 -0.04261 -0.00676 -0.00348 0.00133 -0.00111 -0.08553 0.00303 -0.01403 0.00856 0.00800 0.01204 0.02160 0.01100 0.00381 -0.03015 0.06718 0.00282 0.04690 0.00941 -0.00696 -0.01806 -0.01916 0.01399 -0.00550 0.01868 -0.10589 -0.00948 -0.08754 -0.01909 0.14062 0.48176 0.30403 -0.02822 0.00469 -0.00044 -0.00664 -0.00661 0.03557 0.01178 -0.00770 0.07046 -0.02033 -0.01745 -0.02350 0.01825 -0.02894 0.00741 -0.03817 -0.07143 -0.02531 -0.21887 -0.17312 0.07875 -0.02806 0.01095 0.02522 -0.00024 0.03926 -0.09068 0.01141 0.20239 0.12967 0.07543 0.00418 0.01749 -0.09793 0.00204 -0.09272 0.01417 -1.57459 -2.82932 -4.64954 0.21914 0.00175 0.00067 -0.01308 0.00009 -0.02787 0.00173 -0.08081 0.33655 -0.69536 0.09635 -0.00794 0.00562 -0.00108 -0.00239 -0.02713 -0.01356 -0.24622 -0.63035 -0.84423 -0.04158 -0.01002 0.00362 -0.00009 -0.00304 0.01804 -0.01457 0.18796 0.62733 0.57684 -0.09168 0.00706 -0.04284 0.01708 0.00595 -0.00074 -0.00435 0.00007 -0.00152 -0.00043 -0.01189 0.02221 -0.00192 -0.00352 -0.00049 -0.03575 0.00376 0.00035 0.00245 0.00093 0.00625 0.00540 -0.00326 0.05412 -0.00117 0.00957 0.00205 -0.00115 0.00435 -0.00099 0.00383 -0.00616 -0.01635 -0.02144 0.00407 -0.01266 -0.00524 -0.00037 0.00368 0.00003 -0.01056 0.01891 -0.00743 -0.02499 0.00281 0.03513 0.00213 -0.00025 -0.00192 0.00004 0.00211 -0.00017 -0.00104 0.00587 -0.00028 -0.00564 -0.00006 0.00191 -0.01909 0.00522 -0.00012 -0.00009 -0.00289 0.01351 -0.00071 -0.02391 0.00005 0.01507 -0.07474 0.04203 -0.00262 0.00215 -0.00594 0.01758 -0.00007 -0.00051 0.00287 -0.37352 -0.85522 0.17735 0.01452 -0.00043 0.00105 0.00343 0.00037 -0.00013 0.00183 -0.63369 -2.75100 0.26386 0.01793 0.00198 0.00054 -0.00007 -0.00030 0.00212 0.00446 0.00113 0.01240 0.00579 0.00125 -0.00701 -0.00155 -0.00195 0.00109 0.00205 -0.01507 -0.00180 -0.00737 0.00005 -0.00522 -0.00731 -0.00239 0.00169 0.00109 -0.00129 -0.01597 0.00191 0.01025 0.00086 -0.00587 0.04912 0.00948 0.00389 -0.00025 -0.00121 -0.02721 -0.00091 -0.00053 -0.00027 -0.00407 0.07617 0.01468 0.00737 0.00552 -0.00078 -0.06644 -0.00666 -0.00684 -0.00454 0.04294 0.02911 0.00386 -0.00324 0.01560 0.00100 -0.05608 -0.31944 0.24279 -0.06701 -0.08309 0.03124 -0.00619 -0.00287 0.00820 -0.00463 -0.07815 -1.93954 1.02508 -1.02393 3.56334 -0.00303 -0.00049 -0.00037 -0.00059 0.00051 -0.00275 -0.00226 0.00456 -0.00099 0.00575 0.00281 0.00064 -0.00010 -0.00031 0.00043 -0.00164 0.00926 -0.00283 0.00449 -0.00768 -0.00075 -0.00019 0.00069 -0.00051 -0.00027 0.00048 0.00337 -0.00160 0.00425 -0.00026 0.00149 0.00207 -0.00994 0.00034 0.00785 -0.00102 -0.00005 0.00237 -0.00861 0.00013 0.00234 0.00242 -0.01122 0.00019 0.01429 -0.00327 -0.00744 0.00043 -0.00166 -0.00028 0.00070 0.00283 -0.01290 0.00008 0.00142 -0.00611 -0.29701 0.17758 0.04606 -0.00924 0.00159 -0.00175 0.01028 -0.00168 0.00355 -0.01701 -2.01323 -0.59103 4.92907 -0.12926 0.00067 0.00030 -0.00091 0.00008 0.00085 -0.00051 0.00154 0.00169 0.00355 -0.00120 -0.00251 -0.00058 0.00061 0.00007 -0.00049 0.00199 -0.00556 0.00080 0.00650 0.00335 -0.00242 -0.00032 -0.00089 0.00012 0.00075 0.00211 0.00603 -0.00025 -0.00511 0.00372 -0.05048 -0.01092 0.00305 0.00011 -0.00049 0.02814 -0.00086 -0.00069 0.00026 0.00433 -0.07846 -0.01731 0.00589 -0.00615 0.00073 0.06902 -0.00675 -0.00916 -0.00504 -0.04017 -0.03137 -0.00019 -0.00241 -0.01381 0.00292 0.06784 -0.31960 0.24742 -0.07743 0.07116 -0.03181 0.00658 0.00064 -0.00720 -0.00261 0.09921 -1.96755 0.97807 -1.36817 -3.54287 0.00224 0.00039 -0.00016 0.00080 0.00044 0.00286 0.00145 0.00287 0.00137 -0.00350 0.00018 0.00020 -0.00077 -0.00020 0.00043 0.00139 -0.00334 0.00261 -0.00419 -0.00116 0.00364 0.00076 0.00008 -0.00009 -0.00032 -0.00076 -0.00953 0.00381 -0.00520 -0.00869 -0.00075 0.00928 -0.05526 -0.00146 -0.15296 -0.00051 0.00183 0.01572 0.00700 -0.00126 -0.00112 0.01242 -0.07467 -0.00250 -0.24667 -0.00016 0.01044 0.03538 0.03413 -0.00231 -0.00102 0.01374 -0.07083 -0.00708 -0.24713 -0.00537 -0.13122 -0.05008 -0.27454 0.00661 -0.00384 0.00002 0.00250 -0.00151 -0.04783 -0.01624 0.51038 1.64895 0.13625 0.02569 -0.00043 0.00087 -0.00317 -0.00006 -0.00836 -0.00007 0.00103 0.00303 0.00262 -0.00016 0.00124 -0.00103 -0.00094 0.00005 0.00335 0.00060 0.00004 -0.00218 0.00022 0.00106 0.00149 -0.00132 -0.00024 -0.00008 -0.00454 0.00102 0.00027 0.00295 0.00043 0.00114 -0.00030 -0.00114 -0.00149 0.00115 -0.00177 -0.00241 -0.00133 0.00011 -0.00363 -0.00257 -0.00051 -0.00192 -0.00252 0.00194 -0.00297 -0.00401 -0.00215 0.00024 -0.00595 -0.00428 -0.15414 0.00097 0.03542 -0.04579 -0.13292 0.01094 0.00377 0.00624 0.00696 0.00335 -0.03750 -0.00444 0.13891 -0.03594 0.00215 0.01131 -0.00109 -0.00192 -0.00441 0.01842 -0.02188 0.23843 -0.07772 0.03703 -0.03206 -0.00506 -0.00026 -0.00459 -0.00002 -0.00651 0.00183 0.00750 0.00940 -0.00726 0.01040 0.01324 0.00565 -0.00212 0.01745 0.01427 -0.22246 0.00177 0.05052 -0.06616 -0.19120 0.01612 0.00572 0.00790 0.01089 0.00488 -0.05349 -0.00708 0.20115 -0.05185 0.00400 0.01720 -0.00206 -0.00307 -0.00853 0.02739 -0.03154 0.34311 -0.11171 0.05330 -0.04593 -0.00779 -0.00029 -0.00671 0.00071 -0.00872 0.00299 -0.00727 -0.00174 0.00165 0.00976 0.02274 0.02788 0.01217 0.06390 0.01938 -0.19985 0.00278 0.05271 -0.06156 -0.18056 0.01518 0.00467 0.01419 0.00677 0.00651 -0.04883 -0.01854 0.16511 -0.04646 -0.00173 0.01474 0.00308 -0.00224 0.00901 0.02222 -0.02728 0.31148 -0.10298 0.05128 -0.04295 -0.00490 -0.00077 -0.00711 -0.00295 -0.01410 -0.02651 0.00619 -0.00958 -0.01388 -0.01342 -0.08189 -0.17639 -0.36014 -0.42818 0.08572 -0.03207 0.00275 0.00627 -0.01740 -0.03937 0.02307 0.00611 0.00225 0.02044 0.00108 -0.01442 -0.00103 0.02988 -0.01717 0.00076 -0.02572 -0.06848 -0.12609 -0.22144 0.07585 -0.00541 0.04804 -0.02684 0.00826 -0.01814 -0.01183 -0.00415 -0.06396 -0.01715 0.01394 0.00010 0.00123 -0.00257 0.00052 -0.00036 0.00019 -0.00011 -0.00035 -0.00032 0.00024 -0.00071 -0.00104 0.00044 -0.00063 -0.00095 0.00033 0.00011 -0.00005 0.00014 0.00023 -0.00077 0.00630 0.00011 0.00058 0.00032 0.00025 -0.00015 -0.00025 -0.00029 0.00049 0.00180 0.00037 -0.00406 0.00131 -0.00061 -0.00032 -0.00022 0.00030 -0.00037 0.00029 -0.00430 0.00016 0.00009 -0.00064 -0.00051 -0.00030 0.00003 -0.00071 0.00004 -0.00035 0.00031 0.00156 -0.00103 -0.00100 -0.00169 0.00227 -0.00134 0.00052 -0.00354 0.00270 0.00053 0.00263 -0.00175 -0.00169 -0.00285 0.00378 -0.00217 0.00092 -0.00583 0.00447 0.15851 -0.06957 0.02276 0.03159 -0.13427 -0.00987 0.00318 0.00433 0.00493 -0.00539 0.02189 0.17925 0.18113 0.04980 0.00165 -0.01052 0.00087 0.00357 0.00030 -0.01068 -0.00372 0.06437 -0.09716 -0.01579 -0.02943 0.00683 0.00195 0.00470 0.00695 0.01383 -0.00180 -0.01022 0.00648 0.00643 0.00997 -0.01226 0.00594 -0.00416 0.01771 -0.01460 0.22863 -0.10029 0.03256 0.04569 -0.19292 -0.01454 0.00483 0.00529 0.00764 -0.00841 0.03149 0.25800 0.26073 0.07194 0.00240 -0.01584 0.00114 0.00515 -0.00036 -0.01459 -0.00471 0.09229 -0.14132 -0.02273 -0.04323 0.01076 0.00353 0.00695 0.01241 0.02043 -0.00401 0.00834 0.00016 -0.00238 0.00936 -0.02412 0.02610 0.00610 0.05710 -0.02483 0.20527 -0.09032 0.03231 0.04183 -0.18316 -0.01415 0.00438 0.01024 0.00613 -0.00640 0.02941 0.23634 0.23685 0.06724 0.00060 -0.01283 0.00236 0.00552 0.00477 -0.02110 -0.00482 0.06666 -0.11473 -0.01975 -0.03572 0.00833 -0.00248 0.00722 -0.00537 0.01712 0.03370 -0.00802 -0.00703 0.02481 -0.01288 0.10644 -0.16193 -0.34926 -0.39266 -0.03140 0.03629 -0.01778 0.00085 0.01754 -0.04215 -0.00580 -0.00827 -0.03565 -0.03177 -0.01589 0.00575 0.03158 0.04705 0.01339 0.00921 -0.01025 -0.00713 0.04345 -0.01754 0.00606 -0.00900 0.01261 -0.02195 -0.01417 -0.00737 -0.04008 0.06615 0.13039 0.21151 0.04205 -0.00013 -0.00194 0.00376 0.00070 0.00093 -0.00032 0.00016 0.00017 0.00033 0.00007 -0.00472 0.00213 -0.00114 -0.00081 0.00021 0.00001 -0.00008 0.00084 -0.00012 -0.00017 -0.00067 -0.00536 -0.00364 -0.00119 0.00042 -0.00015 -0.00025 -0.00011 -0.00052 -0.00054 0.00048 -0.00043 0.00031 0.00009 -0.00042 0.00002 0.00001 0.00019 0.00007 -0.00019 0.00001 0.00044 0.00020 -0.00024 0.00071 0.00052 -0.00005 0.00013 0.00006 0.00036 0.00006 0.00005 -0.00030 0.00001 0.00000 -0.00003 -0.00685 0.00646 -0.01177 0.00073 0.00010 0.00008 -0.00049 0.00002 -0.00003 -0.00006 -0.01148 0.01090 -0.01982 0.00122 0.01077 0.00534 -0.00688 -0.02146 -0.00575 0.00757 0.00149 0.00978 -0.00586 -0.00802 -0.03654 -0.01519 -0.00315 0.07320 -0.00866 -0.02551 0.00598 -0.00789 0.00941 0.02732 -0.03890 -0.01608 -0.00156 0.07806 0.00341 -0.02720 -0.00527 0.01123 -0.00868 0.02994 -0.00032 -0.00035 0.00196 -0.00008 -0.00003 0.00022 0.03974 -0.03948 0.07005 -0.00420 0.01560 0.00767 -0.00958 -0.03086 -0.00862 0.01101 0.00110 0.01417 -0.00448 -0.01225 -0.05289 -0.02184 -0.00505 0.10541 -0.01119 -0.03702 0.00831 -0.01090 0.01250 0.04087 -0.05621 -0.02338 -0.00168 0.11232 0.00367 -0.03950 -0.00771 0.01574 -0.01011 0.04471 -0.00080 0.00036 -0.00017 -0.00001 0.00018 0.00011 0.06620 -0.05161 0.11669 -0.00833 0.01476 0.00708 -0.00914 -0.03066 -0.01169 0.01158 0.00451 0.01740 -0.03854 -0.00958 -0.04943 -0.02059 -0.00607 0.10386 -0.01429 -0.03935 0.01356 -0.01571 0.02958 0.03839 -0.05304 -0.02197 -0.00042 0.11073 0.00555 -0.04202 -0.01108 0.02140 -0.03693 0.04397 0.00151 -0.00299 0.00661 -0.00061 -0.03321 0.00243 -0.19124 -0.16506 0.16656 0.00452 0.00165 0.00304 -0.00065 -0.00970 0.00469 0.01119 0.00816 0.07135 0.16231 -0.02806 -0.00921 -0.00447 0.00436 0.03445 -0.00939 -0.03979 -0.07441 0.01369 -0.00496 0.05714 -0.00987 -0.00354 -0.00503 0.03725 0.00807 -0.04414 0.06925 0.00803 0.05530 0.05479 0.00013 -0.00004 -0.00010 0.00144 0.00009 -0.00213 0.00007 0.00007 -0.00039 0.00195 0.00002 -0.00005 -0.00007 0.00089 0.00023 -0.00171 -0.00005 0.00072 -0.00001 -0.00001 -0.00001 -0.00009 0.00051 0.00020 -0.00064 -0.00044 -0.00057 -0.00019 -0.00046 -0.00002 0.00003 -0.00003 0.00023 0.00021 -0.00020 -0.00012 -0.00025 0.00033 0.00057 0.00092 0.00009 -0.00007 0.00003 0.00119 -0.00024 -0.00214 0.00012 -0.00052 0.00053 0.00056 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 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 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 7 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 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 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 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 15 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 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 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 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|7 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|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 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 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|15 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 1.10435 0.88491 0.17258 0.22938 0.23704 0.74217 0.44024 0.54627 0.56115 0.50480 0.12355 0.32080 0.34415 0.13629 0.00074 0.00179 0.00500 0.01168 0.00683 0.00947 0.01385 0.01417 1.10447 0.88479 0.23311 0.19732 0.19372 0.75467 0.52338 0.48217 0.47936 0.38039 0.05701 0.13820 0.12417 0.07933 -0.04452 0.03703 0.03237 0.03182 0.03830 0.02646 0.03519 0.03483 1.10462 0.88450 0.24370 0.19623 0.18141 0.78106 0.55274 0.47450 0.44824 0.53702 0.14473 0.20244 0.19683 0.39975 -0.24455 0.07318 0.04303 0.01546 0.01116 0.01543 0.02216 0.01086 1.09536 0.89599 0.25793 0.26819 0.26605 0.86878 0.59858 0.61371 0.61057 0.60836 0.30536 0.38781 0.39100 -0.31462 -0.02044 -0.02617 -0.00787 0.01146 0.01219 0.00633 0.01216 0.01194 1.09590 0.89545 0.20529 0.26951 0.26101 0.93354 0.49888 0.60982 0.59438 0.81719 0.11508 0.33033 0.32640 -0.02746 0.05303 0.04566 0.04399 0.00937 0.01597 0.00831 0.00787 0.01823 1.09534 0.89590 0.25488 0.26698 0.27366 0.86758 0.59382 0.61328 0.62587 0.60923 0.29479 0.36939 0.40993 -0.26643 0.17689 -0.00704 -0.00939 0.00845 0.01167 0.00485 0.01180 0.01128 1.13240 0.85521 0.17006 0.13879 0.14302 0.60843 0.39868 0.31048 0.30950 0.10899 0.11058 0.08469 0.09689 0.01526 0.00302 0.00596 0.00724 0.06264 0.04745 0.06177 0.03652 0.05175 0.26243 0.37788 -0.11253 -0.02111 0.01869 0.00783 0.01105 0.26914 0.46905 0.01778 -0.00887 0.00686 0.00963 0.00572 0.26856 0.46741 0.01726 0.00168 0.00300 0.00979 0.00949 0.26918 0.46905 0.01558 -0.01005 0.00386 0.00627 0.01207 0.26537 0.56646 0.29091 -0.00772 0.00719 0.00171 0.00245 1.07784 0.91687 0.41177 0.36051 0.40808 1.07289 0.81365 0.74189 0.80862 0.88486 0.63386 0.49391 0.62994 -0.10256 0.03132 0.02199 0.05593 0.00038 0.00006 0.00070 0.00104 0.00070 1.07784 0.91688 0.41440 0.41025 0.35577 1.07294 0.81721 0.81135 0.73600 0.88382 0.64081 0.63796 0.47808 -0.09523 0.03684 0.05367 0.02088 0.00163 0.00065 0.00059 0.00002 0.00002 1.07786 0.91679 0.39312 0.39940 0.38237 1.08613 0.78820 0.79750 0.77126 0.89499 0.54966 0.56190 0.52722 -0.02558 -0.01714 -0.00734 -0.00431 0.00118 0.00172 0.00150 0.00077 0.00132 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 C C C N N N B H H H H H F F F -0.411210 0.176439 -0.294489 0.147326 -0.127723 -0.112736 0.240669 0.455752 0.230694 0.222807 0.234041 -0.126367 -0.264271 -0.272383 -0.098548 0.00000 alpha 34 35 36 37 38 39 40 41 42 43 O O O O O V V V V V -0.447054 -0.430300 -0.429981 -0.381480 -0.356873 -0.005461 0.031688 0.047098 0.062217 0.066594 2.539868 3.228171 2.729621 1.914617 1.903746 2.145702 0.176933 0.253541 0.199367 0.485285 6.041315634772D+02 7.7801 7.5983 -4.8194 11.8950 -68.4318 -84.5036 -65.4897 -23.4476 15.5882 12.4787 4.3766 -11.6952 7.3187 -23.4476 15.5882 12.4787 251.1882 334.8703 -115.9376 141.4560 149.4623 -80.2200 88.3309 101.8493 -61.9612 -31.9769 -1505.2441 -1559.7755 -494.9208 -683.3347 331.2112 -736.0477 342.6967 265.2546 311.5734 -634.8347 -367.3173 -325.9156 180.2902 143.0054 -219.3478 GINC-INSTRUMENT5 MEDEA 2021-05-11T00:00:00.000 0 MeQFBF2-H2 NBO NBO 0 1 Version=AM64L-G09RevD.01 HF=-606.0054332 RMSD=4.701e-09 Dipole=3.0609275,2.989415,-1.8961018 Quadrupole=3.25387,-8.6951188,5.4412488,-17.4326856,11.5894405,9.2776055 PG=C01 [X(C3H5B1F3N3)] 0 1.598669 0.026372 -0.035943 0 -0.31815 -1.402341 0.780521 0 -1.659848 -1.502299 0.505773 0 0.213608 -0.42733 0.008932 0 -0.702214 0.117489 -0.754678 0 -1.790182 -0.538932 -0.435142 0 -2.921908 -2.434042 1.022094 0 -2.654991 -0.294759 -0.901533 0 2.239824 -0.811768 -0.303452 0 1.659163 0.806149 -0.790267 0 1.878159 0.419557 0.940011 0 -3.93281 -2.029766 0.459622 0 -2.624771 -3.77795 0.676099 0 -3.005444 -2.298841 2.431279 0 0.440615 -2.06322 1.610696 Gaussian 09 GINC-INSTRUMENT5 MEDEA MeQFBF2-H2 NBO ESP AM64L-G09RevD.01 11-May-2021 Gaussian 09 24-Apr-2013 AM64L-G09RevD.01 RwB97XD GenECP FOpt # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSymm Opt=(MaxStep=4,ModRedundant) Pop=(Regular,Orbitals=20,CHelpG) 145.85840960000002 0 1 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5987,.0264,-.0359;-.3181,-1.4023,.7805;-1.6599,-1.5023,.5058;.2136,-.4273,.0089;-.7022,.1175,-.7547;-1.7902,-.5389,-.4351;-2.9219,-2.434,1.0221;-2.655,-.2948,-.9015;2.2398,-.8118,-.3034;1.6592,.8062,-.7903;1.8782,.4196,.94;-3.9328,-2.0298,.4596;-2.6248,-3.778,.6761;-3.0054,-2.2988,2.4313;.4406,-2.0632,1.6107; NProcShared=4 Mem=14GB Chk=MeQFBF2-H2_NBO_ESP.chk # WB97XD/GenECP SCRF=(Solvent=toluene,PCM) OptCyc=300 SCFCyc=300 NoSym 1/6=300,8=4,14=-1,18=120,19=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 6/15=8,20=3,28=1,87=20/1,2 7/30=1/1,2,3,16 1/6=300,8=4,14=-1,18=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=4,14=-1,18=20,19=15,26=3/3(-5) 2/9=110,15=1/2 6/15=8,19=2,20=3,28=1,87=20/1,2 99/9=1/99 MeQFBF2-H2 NBO ESP The following ModRedundant input section has been read: X * F Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 1 1 1 1 2 2 2 3 3 4 5 6 7 7 7 4 9 10 11 3 4 15 6 7 5 6 8 12 13 14 1.4582 1.0886 1.0866 1.0887 1.3732 1.3523 1.3045 1.3529 1.6515 1.311 1.3102 1.0124 1.2255 1.4192 1.4181 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 4 4 4 9 9 10 3 3 4 2 2 6 1 1 2 4 3 3 5 3 3 3 12 12 13 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 6 6 6 7 7 7 7 7 7 9 10 11 10 11 11 4 15 15 6 7 7 2 5 5 6 5 8 8 12 13 14 13 14 14 109.1133 107.3094 109.1863 110.4339 110.3129 110.4174 108.8158 131.2066 119.9775 100.4539 136.4833 123.0614 127.9808 121.086 110.9331 103.2865 116.5107 125.0573 118.432 107.504 107.3393 107.5713 111.9139 112.0895 110.1743 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 9 9 10 10 11 11 4 4 15 15 3 3 15 15 2 2 7 7 2 2 2 6 6 6 1 2 4 4 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 5 5 4 4 4 4 4 4 3 3 3 3 4 4 4 4 6 6 6 6 7 7 7 7 7 7 5 5 6 6 2 5 2 5 2 5 6 7 6 7 1 5 1 5 5 8 5 8 12 13 14 12 13 14 6 6 3 8 58.8902 -121.2014 178.5614 -1.5302 -61.7466 118.1618 -0.053 179.5044 179.9675 -0.4751 179.949 0.033 -0.0689 -179.9849 0.0614 -179.9684 -179.575 0.3952 176.8903 -62.5504 55.9944 -3.629 116.9303 -124.5249 -179.9181 0.0046 -0.0436 179.9842 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 4.00e-02 1.00e-07 1.00e-06 100 100 Berny optimization. local minimum Step number 8 out of a maximum of 100 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00068 0.00142 0.01257 0.01709 0.02316 0.02402 0.03611 0.04663 0.07886 0.07910 0.08157 0.10180 0.15679 0.16006 0.16013 0.16067 0.16861 0.20577 0.21036 0.22988 0.24013 0.24335 0.24983 0.24998 0.25411 0.34921 0.35040 0.35125 0.35413 0.37789 0.42175 0.43874 0.45649 0.47578 0.51378 0.55762 0.62636 0.63195 0.66212 -1.14953135e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 2.75555 2.05724 2.05341 2.05746 2.59479 2.55573 2.46507 2.55658 3.12140 2.47758 2.47586 1.91336 2.31631 2.68062 2.68048 1.90458 1.87246 1.90589 1.92705 1.92593 1.92694 1.89924 2.28976 2.09419 1.75314 2.38452 2.14553 2.23387 2.11317 1.93613 1.80246 2.03381 2.18219 2.06718 1.87497 1.87608 1.87635 1.95457 1.95486 1.92292 1.01221 -2.13492 3.10025 -0.04688 -1.09430 2.04176 -0.00067 3.13905 3.14150 -0.00197 3.13719 0.00067 -0.00490 -3.14142 0.00051 3.14146 -3.13955 0.00140 3.11364 -1.06311 1.00672 -0.03014 2.07628 -2.13707 -3.13726 -0.00034 -0.00013 -3.14112 0.00000 0.00000 0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00000 0.00001 0.00003 -0.00005 0.00001 -0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00002 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00003 -0.00001 -0.00002 0.00000 0.00002 0.00001 0.00001 0.00002 0.00010 -0.00007 0.00001 -0.00002 -0.00002 -0.00002 0.00007 -0.00002 -0.00002 0.00002 -0.00001 0.00002 -0.00013 0.00011 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00004 -0.00004 0.00003 -0.00003 -0.00001 0.00000 0.00000 0.00002 0.00007 0.00000 0.00004 -0.00003 -0.00001 -0.00008 0.00009 -0.00019 0.00002 -0.00026 -0.00018 -0.00012 -0.00012 -0.00006 -0.00004 0.00031 0.00019 0.00054 -0.00084 -0.00085 -0.00085 -0.00117 -0.00118 -0.00118 0.00015 0.00009 -0.00003 -0.00035 0.00001 0.00000 -0.00001 0.00000 0.00001 0.00001 -0.00002 -0.00003 0.00005 0.00001 0.00002 0.00000 0.00002 -0.00002 -0.00005 0.00005 -0.00005 0.00003 -0.00003 0.00003 -0.00002 0.00002 -0.00001 -0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 -0.00003 0.00002 0.00000 -0.00001 0.00001 -0.00002 0.00002 0.00003 -0.00003 0.00001 -0.00001 -0.00037 -0.00056 -0.00041 -0.00060 -0.00045 -0.00064 0.00002 0.00009 0.00004 0.00011 -0.00022 -0.00004 -0.00024 -0.00006 0.00001 -0.00003 -0.00005 -0.00009 0.00073 0.00071 0.00072 0.00082 0.00079 0.00080 0.00020 0.00004 -0.00003 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00003 -0.00003 -0.00005 0.00004 0.00003 0.00002 0.00001 0.00004 0.00008 -0.00012 0.00005 -0.00007 0.00001 -0.00005 0.00010 -0.00004 0.00000 0.00002 -0.00002 0.00002 -0.00013 0.00010 0.00002 0.00001 -0.00003 0.00001 0.00000 0.00003 -0.00002 0.00001 -0.00001 0.00001 -0.00003 0.00001 0.00001 -0.00030 -0.00056 -0.00037 -0.00063 -0.00046 -0.00072 0.00011 -0.00011 0.00006 -0.00015 -0.00040 -0.00016 -0.00036 -0.00012 -0.00003 0.00028 0.00015 0.00045 -0.00011 -0.00014 -0.00013 -0.00036 -0.00039 -0.00038 0.00035 0.00013 -0.00006 -0.00035 2.75556 2.05724 2.05341 2.05747 2.59480 2.55577 2.46504 2.55653 3.12144 2.47761 2.47589 1.91337 2.31636 2.68070 2.68036 1.90463 1.87239 1.90590 1.92699 1.92603 1.92689 1.89924 2.28978 2.09417 1.75316 2.38439 2.14563 2.23390 2.11318 1.93610 1.80248 2.03380 2.18222 2.06716 1.87498 1.87607 1.87637 1.95454 1.95487 1.92293 1.01191 -2.13548 3.09988 -0.04751 -1.09476 2.04104 -0.00056 3.13894 3.14156 -0.00212 3.13679 0.00052 -0.00526 -3.14154 0.00048 -3.14145 -3.13941 0.00185 3.11354 -1.06326 1.00659 -0.03050 2.07589 -2.13745 -3.13691 -0.00021 -0.00019 -3.14147 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000047 0.000010 0.001212 0.000321 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.800524e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 1 1 1 1 2 2 2 3 3 4 5 6 7 7 7 4 9 10 11 3 4 15 6 7 5 6 8 12 13 14 1.4582 1.0886 1.0866 1.0888 1.3731 1.3524 1.3045 1.3529 1.6518 1.3111 1.3102 1.0125 1.2257 1.4185 1.4184 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 4 4 4 9 9 10 3 3 4 2 2 6 1 1 2 4 3 3 5 3 3 3 12 12 13 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 6 6 6 7 7 7 7 7 7 9 10 11 10 11 11 4 15 15 6 7 7 2 5 5 6 5 8 8 12 13 14 13 14 14 109.1243 107.2838 109.1995 110.4116 110.3477 110.4053 108.8184 131.1936 119.988 100.4476 136.6227 122.9297 127.9915 121.076 110.9319 103.2735 116.5287 125.0304 118.4409 107.4277 107.4912 107.5071 111.9885 112.0052 110.1754 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 9 9 10 10 11 11 4 4 15 15 3 3 15 15 2 2 7 7 2 2 2 6 6 6 1 2 4 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 5 4 4 4 4 4 4 3 3 3 3 4 4 4 4 6 6 6 6 7 7 7 7 7 7 5 5 6 2 5 2 5 2 5 6 7 6 7 1 5 1 5 5 8 5 8 12 13 14 12 13 14 6 6 3 57.9955 -122.3216 177.6312 -2.6858 -62.6986 116.9843 -0.0383 179.8544 179.9944 -0.1129 179.7477 0.0385 -0.2807 -179.99 0.029 -180.0077 -179.8832 0.0801 178.3987 -60.912 57.6808 -1.727 118.9623 -122.4449 -179.7517 -0.0192 -0.0073 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 No pseudopotential on this center. 4 7 No pseudopotential on this center. 5 7 No pseudopotential on this center. 6 7 No pseudopotential on this center. 7 5 No pseudopotential on this center. 8 1 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 1 No pseudopotential on this center. 13 9 No pseudopotential on this center. 14 9 No pseudopotential on this center. 15 9 No pseudopotential on this center. 15 15 15 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 145.85840960000002 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5987,.0264,-.0359;-.3181,-1.4023,.7805;-1.6598,-1.5023,.5058;.2136,-.4273,.0089;-.7022,.1175,-.7547;-1.7902,-.5389,-.4351;-2.9219,-2.434,1.0221;-2.655,-.2948,-.9015;2.2398,-.8118,-.3035;1.6592,.8061,-.7903;1.8782,.4196,.94;-3.9328,-2.0298,.4596;-2.6248,-3.778,.6761;-3.0054,-2.2988,2.4313;.4406,-2.0632,1.6107; 0.000000 2.526268 0.000000 3.639811 1.373183 0.000000 1.458168 1.352317 2.216359 0.000000 2.412249 2.194134 2.264843 1.310976 0.000000 3.458792 2.095278 1.352917 2.055439 1.310216 0.000000 5.254398 2.811107 1.651523 3.858089 3.820245 2.644954 0.000000 4.352700 3.084942 2.104512 3.012537 2.001213 1.012440 2.889311 0.000000 1.088632 2.840247 4.042168 2.085888 3.118126 4.041377 5.570666 4.958247 0.000000 1.086608 3.354783 4.245525 2.061509 2.460004 3.719320 5.896584 4.453797 1.786564 0.000000 1.088667 2.858063 4.049640 2.086829 3.101861 4.033172 5.584837 4.944793 1.786942 1.786414 0.000000 5.922039 3.682717 2.333818 4.468076 4.064724 2.759356 1.225454 2.548689 6.337761 6.393340 6.324343 0.000000 5.728640 3.312842 2.477635 4.441640 4.573597 3.524576 1.419187 3.823932 5.781180 6.443313 6.161582 2.194077 0.000000 5.717662 3.278759 2.480460 4.442141 4.614525 3.576382 1.418118 3.904715 6.099424 6.463581 5.784734 2.195413 2.326657 0.000000 2.901535 1.304483 2.438736 2.300721 3.414168 3.389006 3.433733 4.361367 2.909854 3.934814 2.946274 4.522492 3.634606 3.550239 0.000000 2.4943481 0.8608520 0.7387717 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 145.85840960000002 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5988,.0275,-.0359;-.3146,-1.4107,.7727;-1.6576,-1.5065,.5038;.2143,-.4282,.0085;-.7049,.1255,-.7448;-1.7916,-.5336,-.4267;-2.922,-2.436,1.0195;-2.6586,-.2845,-.8864;2.2421,-.811,-.297;1.6594,.8024,-.7953;1.8754,.4279,.938;-3.9272,-2.0436,.4381;-2.6172,-3.7845,.7021;-3.0242,-2.2753,2.4252;.4476,-2.0811,1.5921; 0.000000 2.526494 0.000000 3.639908 1.373104 0.000000 1.458176 1.352435 2.216425 0.000000 2.412227 2.194301 2.264997 1.311081 0.000000 3.458627 2.095097 1.352885 2.055302 1.310171 0.000000 5.255475 2.812618 1.651772 3.858748 3.819600 2.643522 0.000000 4.352709 3.084752 2.104289 3.012550 2.001317 1.012507 2.886309 0.000000 1.088644 2.835532 4.041381 2.086041 3.124411 4.045251 5.571451 4.963985 0.000000 1.086618 3.354522 4.245173 2.061196 2.459764 3.718867 5.896562 4.453619 1.786340 0.000000 1.088759 2.864188 4.051290 2.087072 3.095291 4.029079 5.587772 4.938946 1.787406 1.786367 0.000000 5.920345 3.682891 2.333144 4.466142 4.060468 2.754752 1.225740 2.541268 6.333979 6.389886 6.326765 0.000000 5.731507 3.307867 2.479724 4.445598 4.586738 3.538906 1.418524 3.843814 5.783743 6.447524 6.163036 2.194696 0.000000 5.721159 3.289393 2.479915 4.442980 4.603408 3.561691 1.418448 3.881177 6.106357 6.463680 5.790058 2.194845 2.326399 0.000000 2.902069 1.304458 2.438515 2.300922 3.414378 3.388779 3.436214 4.361084 2.898641 3.934798 2.960013 4.524540 3.617484 3.575550 0.000000 2.4952244 0.8598149 0.7384425 -14.56694 -10.45732 -10.37237 -10.35176 -6.87658 -1.41411 -1.30275 -1.24225 -1.21425 -1.11086 -0.98325 -0.91584 -0.81879 -0.77574 -0.73624 -0.67280 -0.65489 -0.63096 -0.62137 -0.60565 -0.57296 -0.56734 -0.55304 -0.53041 -0.52848 -0.51348 -0.48374 -0.45488 -0.44705 -0.43030 -0.42998 -0.38148 -0.35687 -0.00546 0.03169 0.04710 0.06222 0.06659 0.07352 0.07920 0.09024 0.09857 0.10138 0.11106 0.11486 0.12767 0.13652 0.13905 0.15168 0.15424 0.16181 0.16592 0.18020 0.18340 0.18708 0.19922 0.20566 0.21824 0.22705 0.23837 0.23855 0.24634 0.25652 0.26326 0.26974 0.27526 0.28449 0.29252 0.30360 0.30677 0.31578 0.32554 0.33457 0.34231 0.35837 0.36774 0.37337 0.38189 0.38720 0.39034 0.39803 0.42164 0.42805 0.43440 0.43647 0.45416 0.46081 0.46796 0.47982 0.49746 0.50592 0.51494 0.53837 0.54141 0.54922 0.57284 0.57923 0.62250 0.63853 0.64999 0.66688 0.67127 0.68052 0.68519 0.69302 0.71540 0.72170 0.75201 0.76354 0.81914 0.83012 0.83594 0.83950 0.87005 0.87565 0.88977 0.91055 0.93791 0.96156 0.98436 1.00098 1.04371 1.05846 1.08023 1.11199 1.13139 1.20431 1.21652 1.27982 1.28338 1.31570 1.33184 1.34696 1.36956 1.38717 1.39941 1.41979 1.46731 1.48021 1.49419 1.49868 1.50488 1.51779 1.52992 1.53366 1.56065 1.56587 1.57700 1.59552 1.61894 1.63824 1.66789 1.68644 1.71856 1.79211 1.80429 1.83528 1.86474 1.88572 1.89068 1.92006 1.93768 1.99993 2.01459 2.02304 2.07430 2.12221 2.13021 2.15653 2.16554 2.17238 2.18150 2.27238 2.32334 2.32880 2.34059 2.39477 2.40057 2.50957 2.54252 2.55789 2.57616 2.60817 2.63423 2.65997 2.71194 2.72466 2.74688 2.77361 2.79858 2.84298 2.85276 2.93394 2.93989 3.00017 3.04986 3.05919 3.09141 3.19569 3.28655 3.36078 3.50538 3.59672 3.72590 3.73169 3.77680 3.81483 3.82501 3.88308 3.91467 3.93282 3.94555 3.96704 3.99112 3.99977 4.04891 4.06911 4.08134 4.15071 4.16506 4.20565 4.20657 4.30232 4.35048 4.58097 4.73615 4.76466 4.94977 5.00773 5.09773 5.67709 6.37478 6.47478 6.49543 6.53142 6.53486 6.57159 6.60985 6.68945 6.87203 14.75151 23.75707 24.02256 24.18522 35.49231 35.61285 35.69738 66.90097 67.00286 67.04512 34 35 36 37 38 39 40 41 42 43 O|O|O|O|O|V|V|V|V|V -0.44705 -0.43030 -0.42998 -0.38148 -0.35687 -0.00546 0.03169 0.04710 0.06222 0.06659 0.00004 -0.00011 0.00076 0.00002 0.00141 0.00005 -0.02557 0.01075 0.00121 -0.00008 0.00006 -0.00017 0.00126 0.00003 0.00228 0.00009 -0.04150 0.01789 0.00143 -0.00011 0.01184 0.00243 0.00047 0.00001 0.01034 -0.00026 0.01746 0.00501 0.00734 -0.01118 -0.03997 -0.00656 -0.00852 0.00109 0.00793 0.00144 0.00416 0.01034 -0.02513 0.03774 -0.04243 -0.00991 0.00785 0.00042 -0.00439 0.00084 0.00131 -0.00800 0.02982 0.03651 -0.00023 0.00028 -0.00288 -0.00021 -0.00646 -0.00034 0.11067 -0.06138 0.01178 -0.00015 0.01735 0.00342 0.00131 0.00019 0.01590 0.00227 0.03365 0.00827 0.00182 -0.02395 -0.05831 -0.00914 -0.01283 0.00105 0.01168 -0.00645 0.00815 0.02229 -0.05175 0.08277 -0.06199 -0.01416 0.01210 0.00007 -0.00626 -0.00788 0.00240 -0.01787 0.05749 0.08048 -0.00015 0.00370 -0.01841 0.00188 -0.01072 -0.00038 0.74191 -0.12193 -0.23377 0.00665 0.01552 0.00292 0.00549 -0.00490 0.01699 -0.00266 -0.17025 0.05262 0.13023 -0.00959 -0.05282 -0.01146 -0.01105 0.01545 0.01114 0.00889 -0.04855 0.01503 0.02196 0.01249 -0.05613 -0.01638 0.01122 0.01468 -0.00628 0.00429 -0.00095 0.00159 0.01881 0.01159 0.00410 -0.00057 -0.01448 0.00064 -0.01703 -0.01132 7.45226 -1.72219 -2.92646 0.17248 -0.00523 0.00130 0.00165 -0.00236 0.01187 -0.01451 -0.18661 0.06963 0.75878 -0.33799 0.01211 -0.00188 -0.00736 0.00826 -0.00119 0.05556 -0.05192 0.37446 -1.28986 1.02089 0.01522 -0.00581 0.00562 0.00619 0.00310 0.04059 0.00555 -0.34476 1.61170 0.97379 -0.00568 -0.00094 0.00004 -0.00183 0.00067 -0.00013 -0.00307 -0.00133 -0.00322 -0.00366 -0.00988 -0.00229 0.00030 -0.00026 -0.00098 0.01858 0.00047 0.00155 -0.00095 -0.00494 -0.00337 -0.00095 0.00103 -0.00004 -0.00088 0.00591 -0.00245 0.00032 -0.00401 -0.00123 0.00271 0.00072 0.00018 -0.00081 -0.00151 -0.01033 0.00429 0.00277 0.00355 0.00069 -0.01046 -0.00211 -0.00075 -0.00078 0.00067 0.01597 0.00303 -0.00037 0.00430 -0.00584 -0.00005 0.00138 -0.00754 0.00028 0.01051 -0.00002 -0.00214 -0.00865 0.00481 -0.00023 -0.00007 0.00228 -0.01247 0.00047 0.01692 -0.00004 -0.00407 -0.01461 0.00821 -0.00036 -0.00986 -0.00191 -0.01532 0.03119 0.03564 -0.01761 -0.00832 0.00085 -0.02162 0.01447 0.03524 0.01636 0.00567 -0.10333 0.00659 0.06012 0.01161 -0.01073 0.00436 -0.04469 0.03687 0.01936 -0.00701 -0.10980 0.00866 0.06389 -0.01310 0.00789 -0.01223 -0.04663 0.00009 -0.00739 0.04000 -0.00140 -0.04798 0.00025 0.03137 0.05588 -0.02689 0.00009 -0.01616 -0.00391 -0.02100 0.05153 0.04703 -0.02799 -0.01709 0.01930 -0.05132 0.02346 0.05782 0.02711 0.01121 -0.17190 0.00717 0.09595 0.01850 -0.01025 0.00633 -0.07068 0.06021 0.03246 -0.01228 -0.18263 0.01431 0.10202 -0.02212 0.01102 -0.02453 -0.07308 0.00088 -0.00766 0.04381 -0.00338 -0.13160 -0.00197 -0.12515 -0.00053 0.20561 0.00249 -0.01203 -0.00310 0.00059 0.04367 0.09079 -0.04632 0.11585 -0.04695 -0.13396 0.04960 0.03262 0.01411 0.01739 -0.14269 -0.00197 0.15066 -0.02650 -0.10632 0.04929 -0.15360 0.03629 0.01909 -0.01288 -0.15048 0.03498 0.16007 0.05808 0.07967 -0.08700 -0.16502 0.04013 -0.10704 0.29829 0.01852 0.85822 0.07236 -0.62488 -0.70838 20.80767 -0.45477 -0.01570 0.03013 -0.05172 -0.00085 -0.14132 -0.02174 0.38223 0.26194 -5.76200 0.11469 -0.00075 -0.01083 -0.00571 -0.00228 0.00685 0.03141 0.14214 -0.34630 0.16341 0.01835 0.00613 -0.01892 -0.01433 -0.00684 -0.04600 0.03658 -0.01796 0.43549 -1.74853 0.05125 -0.01465 -0.00552 0.00131 0.02038 -0.00259 0.01141 0.00031 -0.00097 -0.00183 0.00316 0.00637 -0.00087 0.00781 0.01209 -0.00965 -0.02178 0.00423 -0.01105 0.00763 -0.01274 0.00216 0.00017 0.00022 0.00310 -0.00053 -0.00653 -0.00724 0.00700 -0.01464 -0.00300 -0.01061 -0.00328 0.00173 0.00315 -0.00178 0.01751 0.00048 -0.00279 0.00491 0.00804 0.00102 0.00020 -0.00833 0.01717 0.00959 -0.01538 -0.00233 0.00836 -0.00217 -0.00974 0.00031 -0.00406 0.02383 -0.00082 -0.02845 -0.00003 -0.00369 0.00385 -0.00750 0.00044 0.00050 -0.00655 0.03845 -0.00133 -0.04623 -0.00004 -0.00616 0.00691 -0.01246 0.00074 0.00443 -0.01456 0.06966 0.02569 -0.08088 -0.01553 0.00223 0.00025 0.01088 -0.01984 -0.01206 -0.00311 0.06564 -0.09777 -0.05541 0.05282 0.00242 -0.00435 0.00336 0.06527 -0.01475 0.01511 -0.04035 -0.10127 0.03404 0.05609 -0.00109 0.00624 0.00546 0.06918 -0.00122 0.01846 -0.10753 0.00379 0.12981 -0.00021 0.01956 -0.04017 0.04869 -0.00293 0.00808 -0.02126 0.10079 0.04291 -0.12303 -0.02397 0.01366 0.00894 0.01830 -0.03186 -0.02318 -0.00457 0.09778 -0.16107 -0.08153 0.08203 0.00553 -0.01187 0.00142 0.10365 -0.02762 0.02263 -0.06099 -0.16770 0.04967 0.08686 -0.00046 0.01659 0.01267 0.10970 -0.00384 0.01931 -0.11883 0.00722 0.29692 0.00434 0.23134 0.25045 -0.11811 -0.00023 -0.00213 -0.01274 0.05796 0.03741 -0.04213 -0.04428 0.03866 -0.01665 -0.10303 -0.05748 0.00105 0.00863 0.04773 -0.13900 -0.06741 0.13776 0.04931 0.12414 -0.01863 0.19744 0.00193 0.02330 -0.02526 -0.13945 0.05792 0.14982 -0.03433 -0.11223 0.00534 0.21174 -0.04873 0.07318 -0.12061 -0.01967 -0.58666 -0.06808 2.09221 4.85844 -15.37586 0.16259 -0.01896 0.03996 -0.14663 -0.00326 -0.38996 -0.06220 -0.76045 -1.06285 -7.75891 0.21751 0.01525 0.02767 -0.03340 -0.01360 -0.04868 0.11984 -0.46198 0.62414 -1.78269 0.09810 0.00497 0.04953 0.00092 -0.00965 -0.05757 0.10980 0.21435 -0.90663 -0.46234 -0.00316 0.01520 0.00331 0.00153 0.00530 0.00535 0.02250 -0.00337 -0.00080 -0.00276 -0.00107 0.00285 0.00225 -0.00267 -0.01679 0.00040 0.01087 0.00056 0.00738 -0.00127 -0.00498 0.00004 0.00145 -0.00655 -0.00512 -0.00119 0.00269 -0.00162 -0.00375 -0.00230 -0.00117 0.00581 0.00150 -0.00466 0.01180 -0.00924 0.00510 0.00499 0.00453 0.00322 0.00173 0.00701 0.00204 0.00317 -0.01306 -0.00417 0.01625 0.00308 -0.00505 0.00403 -0.00481 0.00017 -0.00117 0.00688 -0.00017 -0.00619 -0.00007 -0.00003 -0.00322 -0.00949 0.00054 0.00029 -0.00192 0.01132 -0.00028 -0.01019 -0.00012 -0.00022 -0.00554 -0.01600 0.00092 -0.02479 -0.00804 0.01232 0.00073 -0.01343 0.03210 -0.01256 0.00994 0.00419 -0.00432 0.08483 0.01930 0.00284 -0.00427 -0.01434 -0.10962 -0.00735 0.00463 -0.00321 0.01352 0.09089 0.02119 0.00189 -0.00375 0.00867 -0.11678 0.00307 -0.00036 0.00411 0.01374 -0.00102 0.00643 -0.03744 0.00092 0.03320 0.00028 0.00659 0.02365 0.05858 -0.00337 -0.03861 -0.01274 0.02069 0.00059 -0.02166 0.04917 -0.01454 0.01430 0.00272 -0.00654 0.13250 0.03016 0.00299 -0.00453 -0.02205 -0.16812 -0.01174 0.00909 0.00011 0.02069 0.14177 0.03254 0.00472 -0.00376 0.01295 -0.17914 0.00651 -0.00283 0.00055 0.02147 -0.00042 0.00670 -0.04597 0.00122 0.05613 0.00172 -0.03402 0.00011 0.11089 -0.00709 -0.03828 -0.01182 0.01637 0.00251 -0.01797 0.07026 -0.13933 0.05899 0.07242 -0.01324 0.13015 0.03014 0.01341 -0.01432 -0.02161 -0.23963 -0.04813 -0.00460 -0.04147 0.04013 0.14072 0.03552 -0.00637 -0.01318 0.01364 -0.25411 0.00572 0.02435 0.05953 0.03699 -0.00050 -0.01574 0.03848 0.00109 0.13802 0.00624 -1.71303 1.79498 -0.01930 -0.01168 0.00340 -0.01083 0.02504 -0.00622 -0.05808 0.05033 -1.50695 -0.91826 1.24410 -0.01342 -0.00088 -0.00486 0.05754 0.00531 0.03145 -0.18531 -0.78319 -0.46291 0.93490 -0.03750 0.00091 0.01618 -0.04675 0.00574 -0.04637 -0.19349 0.32129 0.17448 -0.56443 -0.05155 0.00200 0.00246 0.00172 -0.02293 0.00173 -0.01189 -0.00265 0.00415 -0.00343 -0.01149 -0.00619 -0.00077 -0.00224 0.00039 0.00189 -0.01114 -0.00030 -0.00002 0.00167 0.00480 -0.00196 0.00010 -0.00307 0.00068 0.00034 -0.00288 -0.00431 -0.00306 -0.00014 0.00180 0.00421 0.00256 -0.00376 -0.01145 -0.00041 0.00017 0.00283 -0.00710 0.00477 -0.00871 -0.00471 -0.00039 0.00119 -0.00675 -0.00261 -0.01310 0.00365 -0.00325 0.00157 0.00071 -0.00030 0.00119 -0.00750 0.00000 -0.00012 0.00004 -0.00799 -0.00459 0.00264 0.00011 -0.00048 0.00193 -0.01215 0.00000 -0.00031 0.00007 -0.01318 -0.00779 0.00428 0.00019 0.00096 -0.00100 0.02904 -0.03252 -0.00912 -0.03940 -0.00002 0.00865 -0.00259 -0.00605 -0.00010 -0.02083 0.04851 0.10952 -0.01832 0.13469 0.01144 0.01151 0.00067 0.02112 -0.00241 -0.00717 -0.04017 0.11741 0.00975 0.14297 -0.01025 -0.00853 0.00201 0.02281 0.00133 -0.00489 0.03092 0.00010 0.00457 -0.00021 0.04154 0.02877 -0.01212 -0.00101 0.00151 -0.00124 0.04385 -0.05064 -0.01459 -0.05930 -0.00271 0.01272 -0.00469 -0.00828 -0.00052 -0.03227 0.07347 0.17069 -0.02901 0.20279 0.01753 0.02193 -0.00130 0.02775 -0.00404 -0.01160 -0.06109 0.18292 0.01547 0.21528 -0.01655 -0.01730 0.00498 0.03039 0.00188 -0.00541 0.04102 -0.00016 0.00415 -0.00063 0.09134 0.08612 0.00431 -0.00021 0.00219 -0.00251 0.04459 -0.05058 -0.01540 -0.08531 0.00828 0.02017 0.02700 -0.01659 0.00013 -0.02971 0.06254 0.17102 -0.02387 0.29225 0.01873 -0.02751 0.00242 0.06453 -0.00294 -0.01140 -0.04994 0.18292 0.01048 0.30999 -0.01375 0.03119 0.01218 0.06609 -0.00621 0.05095 -0.18829 -0.00509 -0.53704 -0.04005 -0.63318 -0.91600 -1.31907 0.00594 0.00016 0.00520 -0.01563 -0.00213 0.04744 -0.05234 0.77637 0.78652 -0.22526 -0.02792 0.00336 -0.00721 0.02922 0.00698 0.07407 0.21339 0.19831 0.17488 -0.04769 -0.10141 0.00178 0.01007 -0.02977 0.00631 -0.05644 0.21475 0.02144 0.05488 -0.01005 -0.11685 0.00527 -0.00043 -0.00013 0.01276 0.00020 0.00017 -0.00058 -0.00431 -0.00034 0.00295 0.01174 0.00343 0.00061 -0.00376 0.00045 0.00038 0.00265 0.00165 0.00262 0.00565 0.00342 0.00020 0.00498 -0.00145 -0.00103 0.00014 -0.00122 0.00366 -0.00435 0.00178 -0.00384 -0.00235 0.00104 0.00829 -0.00075 -0.00006 0.00196 0.00773 0.00112 -0.00183 0.01168 0.00313 -0.00136 0.00063 -0.00079 0.00033 -0.00138 0.00209 -0.00046 0.00582 -0.00014 0.00113 -0.00722 0.00008 0.00080 0.00004 0.00058 -0.01997 -0.00109 0.00014 -0.00022 0.00185 -0.01186 0.00014 0.00134 0.00006 0.00096 -0.03308 -0.00181 0.00023 0.02413 0.00991 -0.01871 -0.00128 -0.00395 0.03119 -0.01506 -0.03893 -0.00173 0.01008 -0.08510 -0.01811 -0.03570 0.00513 0.00990 -0.10715 0.00073 0.00946 0.00427 -0.03304 -0.08852 -0.02948 0.02653 0.00488 -0.00857 -0.11427 -0.00518 -0.02053 -0.00739 -0.03446 0.00059 -0.00577 0.03648 -0.00053 -0.00221 -0.00005 -0.00243 0.10846 0.00714 -0.00079 0.03761 0.01579 -0.02996 -0.00250 -0.00903 0.04767 -0.01917 -0.05772 0.00047 0.01435 -0.13284 -0.02863 -0.05544 0.00947 0.01687 -0.16393 0.00134 0.01934 0.00869 -0.04785 -0.13829 -0.04642 0.04097 0.00909 -0.01552 -0.17479 -0.00717 -0.03568 -0.01269 -0.04982 0.00229 -0.00766 0.05382 0.00139 -0.01401 -0.00169 0.00631 0.23896 0.02344 -0.00172 0.03771 0.00689 0.00961 -0.00072 -0.02267 0.06754 -0.05360 -0.14308 0.04450 0.02798 -0.12733 -0.03251 -0.02106 0.00161 0.00802 -0.22954 0.01176 0.03391 -0.02497 -0.09162 -0.13308 -0.03967 0.01971 0.00254 -0.01081 -0.24529 -0.02632 -0.07287 0.02966 -0.09985 0.00840 -0.02244 0.11060 0.00389 0.32129 0.03000 0.57913 -0.44083 0.97518 -0.07449 0.01275 -0.02155 0.09211 -0.00334 0.18398 0.07361 -0.29769 -0.87944 1.22963 -0.02433 -0.01510 -0.01962 0.01601 0.01433 0.07783 -0.18257 0.69859 1.21706 0.47229 -0.04016 -0.01565 -0.02339 0.00342 0.01498 -0.02491 -0.19935 -0.73486 -1.38586 -0.11224 0.05700 -0.00034 0.00133 0.00415 -0.01913 -0.00075 -0.00089 -0.00035 0.00118 0.00045 0.00972 -0.00143 -0.00284 0.00598 0.01035 -0.00669 0.01351 0.00039 -0.00578 0.00278 -0.00114 -0.00046 -0.00044 -0.00109 0.00354 0.00048 0.00397 -0.00404 -0.00062 -0.00529 -0.00025 0.00051 0.00240 -0.00261 -0.01516 -0.00135 -0.00795 -0.00001 -0.00443 0.00039 0.00530 -0.00149 0.00044 -0.00858 0.00351 0.00638 0.01142 0.00095 0.00390 -0.00101 0.00198 0.00018 -0.00243 0.01430 0.00000 0.01732 0.00005 -0.00178 -0.00540 -0.00394 0.00032 0.00026 -0.00352 0.02067 0.00001 0.02637 0.00009 -0.00277 -0.00836 -0.00609 0.00050 -0.00033 0.00152 0.00411 0.00121 0.11621 -0.00151 -0.00070 -0.02524 -0.00269 -0.00319 0.00055 0.00142 -0.05693 0.00251 -0.01414 0.00402 0.00510 0.00176 0.01176 0.01066 0.00217 -0.01764 0.04596 0.00226 0.03713 0.00411 -0.00456 -0.00618 -0.00985 0.01286 -0.00058 0.00790 -0.04520 0.00022 -0.06292 0.00024 0.01345 0.01888 0.02696 -0.00174 -0.00070 0.00379 0.00245 0.00192 0.16263 -0.00279 -0.00132 -0.04261 -0.00676 -0.00348 0.00133 -0.00111 -0.08553 0.00303 -0.01403 0.00856 0.00800 0.01204 0.02160 0.01100 0.00381 -0.03015 0.06718 0.00282 0.04690 0.00941 -0.00696 -0.01806 -0.01916 0.01399 -0.00550 0.01868 -0.10589 -0.00948 -0.08754 -0.01909 0.14062 0.48176 0.30403 -0.02822 0.00469 -0.00044 -0.00664 -0.00661 0.03557 0.01178 -0.00770 0.07046 -0.02033 -0.01745 -0.02350 0.01825 -0.02894 0.00741 -0.03817 -0.07143 -0.02531 -0.21887 -0.17312 0.07875 -0.02806 0.01095 0.02522 -0.00024 0.03926 -0.09068 0.01141 0.20239 0.12967 0.07543 0.00418 0.01749 -0.09793 0.00204 -0.09272 0.01417 -1.57459 -2.82932 -4.64954 0.21914 0.00175 0.00067 -0.01308 0.00009 -0.02787 0.00173 -0.08081 0.33655 -0.69536 0.09635 -0.00794 0.00562 -0.00108 -0.00239 -0.02713 -0.01356 -0.24622 -0.63035 -0.84423 -0.04158 -0.01002 0.00362 -0.00009 -0.00304 0.01804 -0.01457 0.18796 0.62733 0.57684 -0.09168 0.00706 -0.04284 0.01708 0.00595 -0.00074 -0.00435 0.00007 -0.00152 -0.00043 -0.01189 0.02221 -0.00192 -0.00352 -0.00049 -0.03575 0.00376 0.00035 0.00245 0.00093 0.00625 0.00540 -0.00326 0.05412 -0.00117 0.00957 0.00205 -0.00115 0.00435 -0.00099 0.00383 -0.00616 -0.01635 -0.02144 0.00407 -0.01266 -0.00524 -0.00037 0.00368 0.00003 -0.01056 0.01891 -0.00743 -0.02499 0.00281 0.03513 0.00213 -0.00025 -0.00192 0.00004 0.00211 -0.00017 -0.00104 0.00587 -0.00028 -0.00564 -0.00006 0.00191 -0.01909 0.00522 -0.00012 -0.00009 -0.00289 0.01351 -0.00071 -0.02391 0.00005 0.01507 -0.07474 0.04203 -0.00262 0.00215 -0.00594 0.01758 -0.00007 -0.00051 0.00287 -0.37352 -0.85522 0.17735 0.01452 -0.00043 0.00105 0.00343 0.00037 -0.00013 0.00183 -0.63369 -2.75100 0.26386 0.01793 0.00198 0.00054 -0.00007 -0.00030 0.00212 0.00446 0.00113 0.01240 0.00579 0.00125 -0.00701 -0.00155 -0.00195 0.00109 0.00205 -0.01507 -0.00180 -0.00737 0.00005 -0.00522 -0.00731 -0.00239 0.00169 0.00109 -0.00129 -0.01597 0.00191 0.01025 0.00086 -0.00587 0.04912 0.00948 0.00389 -0.00025 -0.00121 -0.02721 -0.00091 -0.00053 -0.00027 -0.00407 0.07617 0.01468 0.00737 0.00552 -0.00078 -0.06644 -0.00666 -0.00684 -0.00454 0.04294 0.02911 0.00386 -0.00324 0.01560 0.00100 -0.05608 -0.31944 0.24279 -0.06701 -0.08309 0.03124 -0.00619 -0.00287 0.00820 -0.00463 -0.07815 -1.93954 1.02508 -1.02393 3.56334 -0.00303 -0.00049 -0.00037 -0.00059 0.00051 -0.00275 -0.00226 0.00456 -0.00099 0.00575 0.00281 0.00064 -0.00010 -0.00031 0.00043 -0.00164 0.00926 -0.00283 0.00449 -0.00768 -0.00075 -0.00019 0.00069 -0.00051 -0.00027 0.00048 0.00337 -0.00160 0.00425 -0.00026 0.00149 0.00207 -0.00994 0.00034 0.00785 -0.00102 -0.00005 0.00237 -0.00861 0.00013 0.00234 0.00242 -0.01122 0.00019 0.01429 -0.00327 -0.00744 0.00043 -0.00166 -0.00028 0.00070 0.00283 -0.01290 0.00008 0.00142 -0.00611 -0.29701 0.17758 0.04606 -0.00924 0.00159 -0.00175 0.01028 -0.00168 0.00355 -0.01701 -2.01323 -0.59103 4.92907 -0.12926 0.00067 0.00030 -0.00091 0.00008 0.00085 -0.00051 0.00154 0.00169 0.00355 -0.00120 -0.00251 -0.00058 0.00061 0.00007 -0.00049 0.00199 -0.00556 0.00080 0.00650 0.00335 -0.00242 -0.00032 -0.00089 0.00012 0.00075 0.00211 0.00603 -0.00025 -0.00511 0.00372 -0.05048 -0.01092 0.00305 0.00011 -0.00049 0.02814 -0.00086 -0.00069 0.00026 0.00433 -0.07846 -0.01731 0.00589 -0.00615 0.00073 0.06902 -0.00675 -0.00916 -0.00504 -0.04017 -0.03137 -0.00019 -0.00241 -0.01381 0.00292 0.06784 -0.31960 0.24742 -0.07743 0.07116 -0.03181 0.00658 0.00064 -0.00720 -0.00261 0.09921 -1.96755 0.97807 -1.36817 -3.54287 0.00224 0.00039 -0.00016 0.00080 0.00044 0.00286 0.00145 0.00287 0.00137 -0.00350 0.00018 0.00020 -0.00077 -0.00020 0.00043 0.00139 -0.00334 0.00261 -0.00419 -0.00116 0.00364 0.00076 0.00008 -0.00009 -0.00032 -0.00076 -0.00953 0.00381 -0.00520 -0.00869 -0.00075 0.00928 -0.05526 -0.00146 -0.15296 -0.00051 0.00183 0.01572 0.00700 -0.00126 -0.00112 0.01242 -0.07467 -0.00250 -0.24667 -0.00016 0.01044 0.03538 0.03413 -0.00231 -0.00102 0.01374 -0.07083 -0.00708 -0.24713 -0.00537 -0.13122 -0.05008 -0.27454 0.00661 -0.00384 0.00002 0.00250 -0.00151 -0.04783 -0.01624 0.51038 1.64895 0.13625 0.02569 -0.00043 0.00087 -0.00317 -0.00006 -0.00836 -0.00007 0.00103 0.00303 0.00262 -0.00016 0.00124 -0.00103 -0.00094 0.00005 0.00335 0.00060 0.00004 -0.00218 0.00022 0.00106 0.00149 -0.00132 -0.00024 -0.00008 -0.00454 0.00102 0.00027 0.00295 0.00043 0.00114 -0.00030 -0.00114 -0.00149 0.00115 -0.00177 -0.00241 -0.00133 0.00011 -0.00363 -0.00257 -0.00051 -0.00192 -0.00252 0.00194 -0.00297 -0.00401 -0.00215 0.00024 -0.00595 -0.00428 -0.15414 0.00097 0.03542 -0.04579 -0.13292 0.01094 0.00377 0.00624 0.00696 0.00335 -0.03750 -0.00444 0.13891 -0.03594 0.00215 0.01131 -0.00109 -0.00192 -0.00441 0.01842 -0.02188 0.23843 -0.07772 0.03703 -0.03206 -0.00506 -0.00026 -0.00459 -0.00002 -0.00651 0.00183 0.00750 0.00940 -0.00726 0.01040 0.01324 0.00565 -0.00212 0.01745 0.01427 -0.22246 0.00177 0.05052 -0.06616 -0.19120 0.01612 0.00572 0.00790 0.01089 0.00488 -0.05349 -0.00708 0.20115 -0.05185 0.00400 0.01720 -0.00206 -0.00307 -0.00853 0.02739 -0.03154 0.34311 -0.11171 0.05330 -0.04593 -0.00779 -0.00029 -0.00671 0.00071 -0.00872 0.00299 -0.00727 -0.00174 0.00165 0.00976 0.02274 0.02788 0.01217 0.06390 0.01938 -0.19985 0.00278 0.05271 -0.06156 -0.18056 0.01518 0.00467 0.01419 0.00677 0.00651 -0.04883 -0.01854 0.16511 -0.04646 -0.00173 0.01474 0.00308 -0.00224 0.00901 0.02222 -0.02728 0.31148 -0.10298 0.05128 -0.04295 -0.00490 -0.00077 -0.00711 -0.00295 -0.01410 -0.02651 0.00619 -0.00958 -0.01388 -0.01342 -0.08189 -0.17639 -0.36014 -0.42818 0.08572 -0.03207 0.00275 0.00627 -0.01740 -0.03937 0.02307 0.00611 0.00225 0.02044 0.00108 -0.01442 -0.00103 0.02988 -0.01717 0.00076 -0.02572 -0.06848 -0.12609 -0.22144 0.07585 -0.00541 0.04804 -0.02684 0.00826 -0.01814 -0.01183 -0.00415 -0.06396 -0.01715 0.01394 0.00010 0.00123 -0.00257 0.00052 -0.00036 0.00019 -0.00011 -0.00035 -0.00032 0.00024 -0.00071 -0.00104 0.00044 -0.00063 -0.00095 0.00033 0.00011 -0.00005 0.00014 0.00023 -0.00077 0.00630 0.00011 0.00058 0.00032 0.00025 -0.00015 -0.00025 -0.00029 0.00049 0.00180 0.00037 -0.00406 0.00131 -0.00061 -0.00032 -0.00022 0.00030 -0.00037 0.00029 -0.00430 0.00016 0.00009 -0.00064 -0.00051 -0.00030 0.00003 -0.00071 0.00004 -0.00035 0.00031 0.00156 -0.00103 -0.00100 -0.00169 0.00227 -0.00134 0.00052 -0.00354 0.00270 0.00053 0.00263 -0.00175 -0.00169 -0.00285 0.00378 -0.00217 0.00092 -0.00583 0.00447 0.15851 -0.06957 0.02276 0.03159 -0.13427 -0.00987 0.00318 0.00433 0.00493 -0.00539 0.02189 0.17925 0.18113 0.04980 0.00165 -0.01052 0.00087 0.00357 0.00030 -0.01068 -0.00372 0.06437 -0.09716 -0.01579 -0.02943 0.00683 0.00195 0.00470 0.00695 0.01383 -0.00180 -0.01022 0.00648 0.00643 0.00997 -0.01226 0.00594 -0.00416 0.01771 -0.01460 0.22863 -0.10029 0.03256 0.04569 -0.19292 -0.01454 0.00483 0.00529 0.00764 -0.00841 0.03149 0.25800 0.26073 0.07194 0.00240 -0.01584 0.00114 0.00515 -0.00036 -0.01459 -0.00471 0.09229 -0.14132 -0.02273 -0.04323 0.01076 0.00353 0.00695 0.01241 0.02043 -0.00401 0.00834 0.00016 -0.00238 0.00936 -0.02412 0.02610 0.00610 0.05710 -0.02483 0.20527 -0.09032 0.03231 0.04183 -0.18316 -0.01415 0.00438 0.01024 0.00613 -0.00640 0.02941 0.23634 0.23685 0.06724 0.00060 -0.01283 0.00236 0.00552 0.00477 -0.02110 -0.00482 0.06666 -0.11473 -0.01975 -0.03572 0.00833 -0.00248 0.00722 -0.00537 0.01712 0.03370 -0.00802 -0.00703 0.02481 -0.01288 0.10644 -0.16193 -0.34926 -0.39266 -0.03140 0.03629 -0.01778 0.00085 0.01754 -0.04215 -0.00580 -0.00827 -0.03565 -0.03177 -0.01589 0.00575 0.03158 0.04705 0.01339 0.00921 -0.01025 -0.00713 0.04345 -0.01754 0.00606 -0.00900 0.01261 -0.02195 -0.01417 -0.00737 -0.04008 0.06615 0.13039 0.21151 0.04205 -0.00013 -0.00194 0.00376 0.00070 0.00093 -0.00032 0.00016 0.00017 0.00033 0.00007 -0.00472 0.00213 -0.00114 -0.00081 0.00021 0.00001 -0.00008 0.00084 -0.00012 -0.00017 -0.00067 -0.00536 -0.00364 -0.00119 0.00042 -0.00015 -0.00025 -0.00011 -0.00052 -0.00054 0.00048 -0.00043 0.00031 0.00009 -0.00042 0.00002 0.00001 0.00019 0.00007 -0.00019 0.00001 0.00044 0.00020 -0.00024 0.00071 0.00052 -0.00005 0.00013 0.00006 0.00036 0.00006 0.00005 -0.00030 0.00001 0.00000 -0.00003 -0.00685 0.00646 -0.01177 0.00073 0.00010 0.00008 -0.00049 0.00002 -0.00003 -0.00006 -0.01148 0.01090 -0.01982 0.00122 0.01077 0.00534 -0.00688 -0.02146 -0.00575 0.00757 0.00149 0.00978 -0.00586 -0.00802 -0.03654 -0.01519 -0.00315 0.07320 -0.00866 -0.02551 0.00598 -0.00789 0.00941 0.02732 -0.03890 -0.01608 -0.00156 0.07806 0.00341 -0.02720 -0.00527 0.01123 -0.00868 0.02994 -0.00032 -0.00035 0.00196 -0.00008 -0.00003 0.00022 0.03974 -0.03948 0.07005 -0.00420 0.01560 0.00767 -0.00958 -0.03086 -0.00862 0.01101 0.00110 0.01417 -0.00448 -0.01225 -0.05289 -0.02184 -0.00505 0.10541 -0.01119 -0.03702 0.00831 -0.01090 0.01250 0.04087 -0.05621 -0.02338 -0.00168 0.11232 0.00367 -0.03950 -0.00771 0.01574 -0.01011 0.04471 -0.00080 0.00036 -0.00017 -0.00001 0.00018 0.00011 0.06620 -0.05161 0.11669 -0.00833 0.01476 0.00708 -0.00914 -0.03066 -0.01169 0.01158 0.00451 0.01740 -0.03854 -0.00958 -0.04943 -0.02059 -0.00607 0.10386 -0.01429 -0.03935 0.01356 -0.01571 0.02958 0.03839 -0.05304 -0.02197 -0.00042 0.11073 0.00555 -0.04202 -0.01108 0.02140 -0.03693 0.04397 0.00151 -0.00299 0.00661 -0.00061 -0.03321 0.00243 -0.19124 -0.16506 0.16656 0.00452 0.00165 0.00304 -0.00065 -0.00970 0.00469 0.01119 0.00816 0.07135 0.16231 -0.02806 -0.00921 -0.00447 0.00436 0.03445 -0.00939 -0.03979 -0.07441 0.01369 -0.00496 0.05714 -0.00987 -0.00354 -0.00503 0.03725 0.00807 -0.04414 0.06925 0.00803 0.05530 0.05479 0.00013 -0.00004 -0.00010 0.00144 0.00009 -0.00213 0.00007 0.00007 -0.00039 0.00195 0.00002 -0.00005 -0.00007 0.00089 0.00023 -0.00171 -0.00005 0.00072 -0.00001 -0.00001 -0.00001 -0.00009 0.00051 0.00020 -0.00064 -0.00044 -0.00057 -0.00019 -0.00046 -0.00002 0.00003 -0.00003 0.00023 0.00021 -0.00020 -0.00012 -0.00025 0.00033 0.00057 0.00092 0.00009 -0.00007 0.00003 0.00119 -0.00024 -0.00214 0.00012 -0.00052 0.00053 0.00056 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 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 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 7 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 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 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 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 15 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 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 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 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|7 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|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 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 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|15 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 1.10435 0.88491 0.17258 0.22938 0.23704 0.74217 0.44024 0.54627 0.56115 0.50480 0.12355 0.32080 0.34415 0.13629 0.00074 0.00179 0.00500 0.01168 0.00683 0.00947 0.01385 0.01417 1.10447 0.88479 0.23311 0.19732 0.19372 0.75467 0.52338 0.48217 0.47936 0.38039 0.05701 0.13820 0.12417 0.07933 -0.04452 0.03703 0.03237 0.03182 0.03830 0.02646 0.03519 0.03483 1.10462 0.88450 0.24370 0.19623 0.18141 0.78106 0.55274 0.47450 0.44824 0.53702 0.14473 0.20244 0.19683 0.39975 -0.24455 0.07318 0.04303 0.01546 0.01116 0.01543 0.02216 0.01086 1.09536 0.89599 0.25793 0.26819 0.26605 0.86878 0.59858 0.61371 0.61057 0.60836 0.30536 0.38781 0.39100 -0.31462 -0.02044 -0.02617 -0.00787 0.01146 0.01219 0.00633 0.01216 0.01194 1.09590 0.89545 0.20529 0.26951 0.26101 0.93354 0.49888 0.60982 0.59438 0.81719 0.11508 0.33033 0.32640 -0.02746 0.05303 0.04566 0.04399 0.00937 0.01597 0.00831 0.00787 0.01823 1.09534 0.89590 0.25488 0.26698 0.27366 0.86758 0.59382 0.61328 0.62587 0.60923 0.29479 0.36939 0.40993 -0.26643 0.17689 -0.00704 -0.00939 0.00845 0.01167 0.00485 0.01180 0.01128 1.13240 0.85521 0.17006 0.13879 0.14302 0.60843 0.39868 0.31048 0.30950 0.10899 0.11058 0.08469 0.09689 0.01526 0.00302 0.00596 0.00724 0.06264 0.04745 0.06177 0.03652 0.05175 0.26243 0.37788 -0.11253 -0.02111 0.01869 0.00783 0.01105 0.26914 0.46905 0.01778 -0.00887 0.00686 0.00963 0.00572 0.26856 0.46741 0.01726 0.00168 0.00300 0.00979 0.00949 0.26918 0.46905 0.01558 -0.01005 0.00386 0.00627 0.01207 0.26537 0.56646 0.29091 -0.00772 0.00719 0.00171 0.00245 1.07784 0.91687 0.41177 0.36051 0.40808 1.07289 0.81365 0.74189 0.80862 0.88486 0.63386 0.49391 0.62994 -0.10256 0.03132 0.02199 0.05593 0.00038 0.00006 0.00070 0.00104 0.00070 1.07784 0.91688 0.41440 0.41025 0.35577 1.07294 0.81721 0.81135 0.73600 0.88382 0.64081 0.63796 0.47808 -0.09523 0.03684 0.05367 0.02088 0.00163 0.00065 0.00059 0.00002 0.00002 1.07786 0.91679 0.39312 0.39940 0.38237 1.08613 0.78820 0.79750 0.77126 0.89499 0.54966 0.56190 0.52722 -0.02558 -0.01714 -0.00734 -0.00431 0.00118 0.00172 0.00150 0.00077 0.00132 7.7801 7.5983 -4.8194 11.8950 -68.4318 -84.5036 -65.4897 -23.4476 15.5882 12.4787 4.3766 -11.6952 7.3187 -23.4476 15.5882 12.4787 251.1882 334.8703 -115.9376 141.4560 149.4623 -80.2200 88.3309 101.8493 -61.9612 -31.9769 -1505.2441 -1559.7755 -494.9208 -683.3347 331.2112 -736.0477 342.6967 265.2546 311.5734 -634.8347 -367.3173 -325.9156 180.2902 143.0054 -219.3478 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 6 6 6 7 7 7 5 1 1 1 1 1 9 9 9 0.000004275 -0.000056582 0.000076267 -0.000081332 -0.000044632 0.000056598 0.000121478 0.000065643 0.000049551 0.000044312 0.000030571 -0.000073661 -0.000047914 0.000134087 -0.000116274 0.000106157 -0.000157157 0.000103242 0.000066898 -0.000153547 0.000002598 -0.000034787 0.000011379 -0.000016799 0.000035706 -0.000004660 -0.000037698 -0.000025968 -0.000032707 -0.000028239 -0.000020794 0.000077202 0.000016705 -0.000060958 0.000065095 -0.000007700 -0.000060394 -0.000001352 0.000091225 -0.000025149 0.000060050 -0.000075874 -0.000021531 0.000006611 -0.000039941 0.000157157 0.000067463 7 -606.005437256 PT6016.900S 2021-05-11T23:55:48.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 C C C N N N B H H H H H F F F -0.411210 0.176439 -0.294489 0.147326 -0.127723 -0.112736 0.240669 0.455752 0.230694 0.222807 0.234041 -0.126367 -0.264271 -0.272383 -0.098548 0.00000 -14.56697 -10.45739 -10.37239 -10.35177 -6.87669 -1.41417 -1.30276 -1.24232 -1.21431 -1.11085 -0.98330 -0.91582 -0.81878 -0.77578 -0.73626 -0.67281 -0.65486 -0.63094 -0.62139 -0.60571 -0.57303 -0.56737 -0.55302 -0.53047 -0.52855 -0.51353 -0.48378 -0.45489 -0.44708 -0.43034 -0.43003 -0.38153 -0.35690 -0.00550 0.03167 0.04712 0.06220 0.06657 0.07349 0.07918 0.09023 0.09853 0.10136 0.11102 0.11484 0.12773 0.13652 0.13906 0.15152 0.15435 0.16180 0.16602 0.18030 0.18321 0.18712 0.19929 0.20568 0.21809 0.22706 0.23816 0.23876 0.24640 0.25654 0.26332 0.26989 0.27506 0.28411 0.29263 0.30369 0.30675 0.31564 0.32544 0.33459 0.34230 0.35854 0.36797 0.37302 0.38198 0.38752 0.38983 0.39786 0.42167 0.42842 0.43446 0.43602 0.45422 0.46143 0.46718 0.47989 0.49754 0.50577 0.51543 0.53862 0.54188 0.54827 0.57313 0.57832 0.62250 0.63854 0.65010 0.66725 0.67099 0.68025 0.68534 0.69310 0.71560 0.72169 0.75204 0.76344 0.81902 0.82981 0.83600 0.83947 0.86989 0.87570 0.89011 0.91059 0.93803 0.96151 0.98419 1.00059 1.04328 1.05820 1.08013 1.11218 1.13163 1.20490 1.21639 1.27979 1.28307 1.31581 1.33187 1.34703 1.36909 1.38715 1.39954 1.41982 1.46742 1.48025 1.49493 1.49939 1.50338 1.51762 1.53002 1.53364 1.56140 1.56498 1.57737 1.59543 1.61908 1.63779 1.66880 1.68619 1.71866 1.79228 1.80431 1.83465 1.86396 1.88602 1.88925 1.92017 1.93761 1.99974 2.01478 2.02304 2.07422 2.12221 2.12978 2.15634 2.16541 2.17221 2.18138 2.27302 2.32341 2.32844 2.34044 2.39511 2.40011 2.50946 2.54231 2.55779 2.57614 2.60835 2.63409 2.66053 2.71089 2.72562 2.74709 2.77346 2.79860 2.84405 2.85191 2.93393 2.94040 3.00003 3.04961 3.05900 3.09139 3.19562 3.28603 3.36086 3.50539 3.59670 3.72597 3.73171 3.77675 3.81479 3.82495 3.88304 3.91449 3.93265 3.94546 3.96692 3.99104 3.99967 4.04890 4.06918 4.08132 4.15061 4.16494 4.20532 4.20637 4.30270 4.35038 4.58134 4.73625 4.76445 4.94942 5.00766 5.09769 5.67676 6.37471 6.47498 6.49494 6.53121 6.53470 6.57149 6.61024 6.68913 6.87198 14.75155 23.75683 24.02243 24.18550 35.49229 35.61271 35.69717 66.90090 67.00262 67.04516 34 35 36 37 38 39 40 41 42 43 O|O|O|O|O|V|V|V|V|V -0.44708 -0.43034 -0.43003 -0.38153 -0.35690 -0.00550 0.03167 0.04712 0.06220 0.06657 0.00001 -0.00010 0.00077 0.00000 0.00142 0.00016 -0.02558 0.01074 0.00121 -0.00009 0.00003 -0.00016 0.00126 0.00000 0.00229 0.00027 -0.04151 0.01788 0.00143 -0.00012 0.01164 0.00231 0.00057 -0.00012 0.01039 -0.00005 0.01744 0.00497 0.00715 -0.01136 -0.03954 -0.00671 -0.00889 0.00102 0.00790 0.00169 0.00422 0.01034 -0.02437 0.03827 -0.04304 -0.00968 0.00758 0.00042 -0.00444 0.00062 0.00134 -0.00804 0.03043 0.03586 -0.00012 0.00031 -0.00288 -0.00014 -0.00649 -0.00086 0.11073 -0.06133 0.01178 -0.00013 0.01704 0.00320 0.00146 -0.00002 0.01597 0.00269 0.03363 0.00815 0.00151 -0.02436 -0.05769 -0.00936 -0.01339 0.00094 0.01163 -0.00599 0.00827 0.02243 -0.05037 0.08384 -0.06287 -0.01383 0.01167 0.00008 -0.00636 -0.00825 0.00248 -0.01782 0.05868 0.07911 0.00027 0.00284 -0.01863 0.00244 -0.01075 -0.00253 0.74161 -0.12222 -0.23386 0.00834 0.01503 0.00313 0.00569 -0.00520 0.01701 -0.00223 -0.17015 0.05314 0.12953 -0.01159 -0.05213 -0.01173 -0.01148 0.01563 0.01117 0.01107 -0.04890 0.01418 0.02374 0.01298 -0.05718 -0.01591 0.01093 0.01436 -0.00625 0.00201 -0.00129 0.00071 0.01954 0.01031 0.00035 0.00215 -0.01394 0.00211 -0.01625 -0.02957 7.44932 -1.72303 -2.93413 0.27217 -0.00465 0.00127 0.00150 -0.00285 0.01169 -0.01432 -0.18677 0.07221 0.74969 -0.37065 0.01336 -0.00373 -0.00726 0.00913 -0.00142 0.06455 -0.05202 0.36700 -1.24738 1.01970 0.01417 -0.00420 0.00635 0.00509 0.00344 0.03088 0.00332 -0.35241 1.64260 0.96591 -0.00568 -0.00093 -0.00005 -0.00183 0.00065 -0.00013 -0.00314 -0.00133 -0.00331 -0.00362 -0.00993 -0.00227 0.00022 -0.00025 -0.00101 0.01872 0.00046 0.00158 -0.00098 -0.00495 -0.00367 -0.00098 0.00101 0.00004 -0.00089 0.00629 -0.00244 0.00033 -0.00400 -0.00118 0.00271 0.00073 0.00019 -0.00078 -0.00150 -0.01025 0.00426 0.00276 0.00353 0.00066 -0.01037 -0.00209 -0.00085 -0.00081 0.00063 0.01573 0.00301 -0.00034 0.00423 -0.00587 -0.00002 0.00109 -0.00759 0.00016 0.01052 0.00000 -0.00214 -0.00867 0.00479 -0.00046 -0.00003 0.00180 -0.01255 0.00026 0.01693 0.00000 -0.00408 -0.01464 0.00819 -0.00073 -0.00966 -0.00250 -0.01556 0.03009 0.03605 -0.01723 -0.00835 0.00069 -0.02151 0.01479 0.03481 0.01617 0.00610 -0.10228 0.00536 0.05949 0.01165 -0.01028 0.00385 -0.04427 0.03737 0.01924 -0.00656 -0.11113 0.00734 0.06472 -0.01308 0.00836 -0.01281 -0.04669 0.00001 -0.00581 0.04030 -0.00078 -0.04801 0.00019 0.03139 0.05592 -0.02683 0.00094 -0.01587 -0.00479 -0.02142 0.04986 0.04768 -0.02744 -0.01716 0.01907 -0.05111 0.02420 0.05703 0.02682 0.01196 -0.17013 0.00522 0.09486 0.01860 -0.00946 0.00555 -0.07007 0.06111 0.03225 -0.01148 -0.18481 0.01220 0.10341 -0.02202 0.01183 -0.02541 -0.07310 -0.00009 -0.00629 0.04406 -0.00290 -0.13212 -0.00308 -0.12526 0.00085 0.20630 0.00363 -0.01045 -0.00360 0.00045 0.04192 0.09182 -0.04580 0.11606 -0.04776 -0.13402 0.05484 0.03298 0.01402 0.01770 -0.14180 -0.00449 0.14949 -0.02720 -0.10544 0.04762 -0.15496 0.03639 0.01899 -0.01268 -0.15190 0.03283 0.16145 0.05659 0.07969 -0.08834 -0.16145 0.02182 -0.06843 0.30798 0.01008 0.86680 -0.04889 -0.64561 -0.73551 20.85421 -0.29863 -0.00840 0.01898 -0.05457 0.00028 -0.14443 0.01553 0.38807 0.27201 -5.77757 0.01939 0.00268 -0.01493 -0.00615 -0.00341 0.00661 0.03775 0.13981 -0.35390 0.17718 -0.02110 0.00509 -0.01853 -0.01368 -0.00555 -0.04509 0.04120 -0.02135 0.42913 -1.73354 0.06020 -0.01465 -0.00546 0.00112 0.02036 -0.00234 0.01148 0.00015 -0.00076 -0.00205 0.00324 0.00631 -0.00065 0.00784 0.01258 -0.00944 -0.02194 0.00414 -0.01084 0.00729 -0.01308 0.00250 0.00033 0.00025 0.00263 -0.00047 -0.00677 -0.00726 0.00703 -0.01473 -0.00273 -0.01066 -0.00317 0.00168 0.00330 -0.00180 0.01730 0.00045 -0.00282 0.00497 0.00781 0.00102 -0.00004 -0.00845 0.01691 0.00987 -0.01520 -0.00246 0.00859 -0.00252 -0.00952 0.00018 -0.00329 0.02396 -0.00042 -0.02845 -0.00002 -0.00369 0.00386 -0.00750 0.00065 0.00029 -0.00531 0.03866 -0.00068 -0.04624 -0.00003 -0.00616 0.00693 -0.01247 0.00111 0.00392 -0.01208 0.06995 0.02623 -0.08054 -0.01512 0.00216 0.00047 0.01054 -0.01963 -0.01259 -0.00124 0.06633 -0.09595 -0.05659 0.05223 0.00265 -0.00499 0.00453 0.06438 -0.01460 0.01396 -0.04022 -0.10287 0.03283 0.05664 -0.00086 0.00548 0.00674 0.06979 -0.00077 0.01488 -0.10813 0.00192 0.12983 -0.00004 0.01959 -0.04020 0.04876 -0.00445 0.00733 -0.01762 0.10117 0.04359 -0.12249 -0.02334 0.01354 0.00931 0.01778 -0.03171 -0.02392 -0.00183 0.09887 -0.15832 -0.08340 0.08106 0.00587 -0.01293 0.00307 0.10236 -0.02745 0.02091 -0.06076 -0.17018 0.04775 0.08775 -0.00008 0.01542 0.01453 0.11053 -0.00158 0.01615 -0.11929 0.00442 0.29763 0.00156 0.23108 0.24909 -0.11884 0.00397 -0.00110 -0.01156 0.05798 0.03780 -0.04124 -0.04212 0.03876 -0.01677 -0.10394 -0.05125 0.00141 0.01005 0.04868 -0.13486 -0.06919 0.13744 0.05030 0.12303 -0.01371 0.19614 0.00160 0.02217 -0.02526 -0.14316 0.05576 0.15063 -0.03376 -0.11366 0.00926 0.21370 -0.02418 0.04148 -0.12786 -0.01132 -0.59429 0.05574 2.11631 4.89527 -15.41486 -0.14179 -0.01125 0.02331 -0.15094 -0.00108 -0.39342 -0.02212 -0.75516 -1.05976 -7.78859 0.22352 0.01272 0.03189 -0.03283 -0.01155 -0.04814 0.11529 -0.45787 0.63928 -1.74942 0.14017 0.00923 0.04139 -0.00136 -0.01080 -0.05838 0.12414 0.21897 -0.89560 -0.41960 -0.04201 0.01519 0.00334 0.00147 0.00535 0.00549 0.02247 -0.00339 -0.00096 -0.00275 -0.00099 0.00298 0.00221 -0.00270 -0.01700 0.00009 0.01121 0.00053 0.00742 -0.00133 -0.00491 -0.00014 0.00122 -0.00659 -0.00524 -0.00128 0.00212 -0.00162 -0.00371 -0.00230 -0.00121 0.00590 0.00140 -0.00471 0.01165 -0.00901 0.00517 0.00500 0.00447 0.00327 0.00164 0.00697 0.00214 0.00316 -0.01288 -0.00441 0.01613 0.00305 -0.00505 0.00398 -0.00491 0.00014 -0.00094 0.00692 -0.00009 -0.00619 -0.00015 -0.00003 -0.00321 -0.00950 0.00074 0.00023 -0.00154 0.01139 -0.00015 -0.01020 -0.00024 -0.00023 -0.00552 -0.01602 0.00126 -0.02462 -0.00749 0.01221 0.00088 -0.01352 0.03173 -0.01251 0.01000 0.00422 -0.00425 0.08412 0.01917 0.00351 -0.00404 -0.01412 -0.10833 -0.00752 0.00446 -0.00327 0.01341 0.09198 0.02124 0.00255 -0.00391 0.00890 -0.11806 0.00289 -0.00054 0.00400 0.01378 -0.00074 0.00515 -0.03765 0.00052 0.03321 0.00058 0.00663 0.02363 0.05861 -0.00473 -0.03837 -0.01184 0.02054 0.00087 -0.02181 0.04856 -0.01448 0.01439 0.00278 -0.00627 0.13137 0.02991 0.00399 -0.00420 -0.02168 -0.16613 -0.01198 0.00886 -0.00004 0.02048 0.14349 0.03268 0.00573 -0.00398 0.01335 -0.18114 0.00624 -0.00307 0.00035 0.02163 -0.00088 0.00572 -0.04618 0.00069 0.05642 0.00231 -0.03412 -0.00035 0.11110 -0.00677 -0.03786 -0.01135 0.01611 0.00256 -0.01826 0.07048 -0.13896 0.05953 0.07244 -0.01555 0.12922 0.02996 0.01465 -0.01424 -0.02130 -0.23691 -0.04868 -0.00518 -0.04131 0.03999 0.14232 0.03540 -0.00520 -0.01321 0.01404 -0.25650 0.00517 0.02348 0.05934 0.03632 -0.00378 -0.01032 0.03980 0.00076 0.13849 0.00144 -1.70900 1.79465 -0.03161 -0.04350 0.00087 -0.00732 0.02547 -0.00451 -0.05830 0.05177 -1.50814 -0.91633 1.24876 -0.00638 -0.00110 -0.00181 0.05891 0.00418 0.03240 -0.18938 -0.78372 -0.46093 0.92768 -0.03905 0.00045 0.01412 -0.04655 0.00731 -0.04537 -0.18893 0.32033 0.17847 -0.56519 -0.04754 0.00197 0.00249 0.00173 -0.02292 0.00148 -0.01181 -0.00277 0.00420 -0.00368 -0.01139 -0.00623 -0.00082 -0.00224 0.00014 0.00187 -0.01142 -0.00029 -0.00002 0.00169 0.00467 -0.00199 -0.00006 -0.00310 0.00123 0.00033 -0.00256 -0.00430 -0.00306 -0.00009 0.00203 0.00423 0.00246 -0.00378 -0.01146 -0.00054 0.00002 0.00276 -0.00706 0.00461 -0.00882 -0.00467 -0.00033 0.00120 -0.00668 -0.00271 -0.01299 0.00364 -0.00324 0.00156 0.00066 -0.00014 0.00100 -0.00753 0.00001 -0.00011 0.00006 -0.00799 -0.00461 0.00263 0.00002 -0.00023 0.00163 -0.01220 0.00001 -0.00029 0.00010 -0.01318 -0.00782 0.00427 0.00005 0.00068 -0.00025 0.02913 -0.03166 -0.00933 -0.03867 -0.00013 0.00863 -0.00287 -0.00583 -0.00073 -0.01936 0.04897 0.10861 -0.01722 0.13328 0.01172 0.01139 0.00146 0.02098 -0.00176 -0.00840 -0.04023 0.11854 0.01083 0.14447 -0.00995 -0.00866 0.00285 0.02296 0.00060 -0.00413 0.03105 -0.00001 0.00453 -0.00037 0.04154 0.02882 -0.01207 -0.00049 0.00109 -0.00013 0.04397 -0.04932 -0.01494 -0.05812 -0.00286 0.01270 -0.00513 -0.00824 -0.00148 -0.03004 0.07416 0.16926 -0.02728 0.20074 0.01793 0.02174 -0.00011 0.02750 -0.00303 -0.01348 -0.06117 0.18469 0.01716 0.21749 -0.01612 -0.01749 0.00621 0.03059 0.00121 -0.00497 0.04112 0.00033 0.00371 0.00041 0.09147 0.08705 0.00415 -0.00105 0.00166 -0.00099 0.04483 -0.04909 -0.01563 -0.08413 0.00792 0.02014 0.02640 -0.01458 -0.00079 -0.02738 0.06307 0.16947 -0.02202 0.28835 0.01936 -0.02828 0.00384 0.06537 -0.00206 -0.01318 -0.05017 0.18483 0.01211 0.31386 -0.01291 0.03079 0.01385 0.06578 -0.00149 0.03535 -0.19190 -0.00269 -0.53923 -0.00626 -0.63073 -0.91483 -1.29382 0.09322 0.00078 0.00327 -0.01604 -0.00200 0.04741 -0.04838 0.77475 0.78842 -0.22747 -0.06394 0.00253 -0.00461 0.02961 0.00685 0.07484 0.20642 0.19495 0.17188 -0.04605 -0.11782 0.00273 0.00715 -0.03054 0.00649 -0.05620 0.22202 0.01807 0.05094 -0.00041 -0.11134 0.00525 -0.00046 -0.00004 0.01276 0.00032 0.00016 -0.00063 -0.00428 -0.00038 0.00292 0.01195 0.00347 0.00071 -0.00369 0.00049 0.00037 0.00265 0.00153 0.00268 0.00568 0.00320 0.00036 0.00504 -0.00175 -0.00102 0.00016 -0.00122 0.00362 -0.00433 0.00184 -0.00375 -0.00228 0.00105 0.00829 -0.00070 -0.00005 0.00194 0.00780 0.00108 -0.00174 0.01162 0.00304 -0.00126 0.00066 -0.00074 0.00034 -0.00140 0.00202 -0.00043 0.00579 -0.00006 0.00096 -0.00727 0.00004 0.00076 0.00002 0.00059 -0.01994 -0.00106 0.00000 -0.00010 0.00157 -0.01194 0.00006 0.00127 0.00002 0.00098 -0.03303 -0.00178 0.00000 0.02385 0.00924 -0.01853 -0.00132 -0.00398 0.03065 -0.01501 -0.03911 -0.00154 0.00984 -0.08380 -0.01857 -0.03687 0.00494 0.00953 -0.10605 0.00058 0.01003 0.00359 -0.03277 -0.09008 -0.02889 0.02558 0.00507 -0.00895 -0.11541 -0.00534 -0.01988 -0.00819 -0.03468 0.00026 -0.00488 0.03675 -0.00019 -0.00197 0.00004 -0.00252 0.10826 0.00701 -0.00002 0.03722 0.01466 -0.02969 -0.00251 -0.00911 0.04687 -0.01909 -0.05801 0.00077 0.01391 -0.13084 -0.02937 -0.05729 0.00916 0.01629 -0.16225 0.00113 0.02036 0.00769 -0.04745 -0.14069 -0.04547 0.03946 0.00944 -0.01607 -0.17654 -0.00740 -0.03455 -0.01387 -0.05019 0.00109 -0.00674 0.05396 0.00026 -0.01364 -0.00166 0.00644 0.23891 0.02305 0.00028 0.03644 0.00777 0.01014 -0.00081 -0.02243 0.06535 -0.05377 -0.14384 0.04486 0.02804 -0.12553 -0.03189 -0.02228 0.00198 0.00766 -0.22746 0.01143 0.03481 -0.02699 -0.08964 -0.13549 -0.03956 0.01819 0.00219 -0.01158 -0.24778 -0.02663 -0.07117 0.02697 -0.10138 0.00377 -0.01739 0.11118 0.00194 0.32223 0.01471 0.56827 -0.44551 0.95931 -0.14003 0.00802 -0.01296 0.09385 -0.00337 0.18489 0.06030 -0.30354 -0.88617 1.23033 -0.05760 -0.01478 -0.01952 0.01686 0.01405 0.07895 -0.18056 0.70591 1.23557 0.46263 -0.07134 -0.01716 -0.02149 0.00421 0.01512 -0.02460 -0.20431 -0.72695 -1.36818 -0.12139 0.07695 -0.00040 0.00145 0.00412 -0.01913 -0.00085 -0.00093 -0.00040 0.00113 0.00048 0.00968 -0.00146 -0.00265 0.00594 0.01040 -0.00654 0.01367 0.00040 -0.00569 0.00280 -0.00117 -0.00042 -0.00050 -0.00111 0.00403 0.00051 0.00401 -0.00405 -0.00062 -0.00530 -0.00038 0.00055 0.00232 -0.00259 -0.01507 -0.00151 -0.00784 -0.00003 -0.00451 0.00040 0.00529 -0.00143 0.00022 -0.00873 0.00332 0.00644 0.01129 0.00093 0.00395 -0.00098 0.00208 0.00008 -0.00198 0.01437 0.00002 0.01731 0.00002 -0.00179 -0.00542 -0.00394 0.00031 0.00012 -0.00286 0.02077 0.00004 0.02635 0.00002 -0.00278 -0.00839 -0.00608 0.00050 -0.00028 0.00178 0.00359 0.00039 0.11570 -0.00130 -0.00067 -0.02522 -0.00263 -0.00298 0.00100 -0.00068 -0.05606 0.00221 -0.01314 0.00394 0.00510 0.00141 0.01179 0.01038 0.00186 -0.01618 0.04760 0.00233 0.03880 0.00417 -0.00459 -0.00678 -0.00985 0.01314 -0.00031 0.00636 -0.04544 0.00007 -0.06285 0.00024 0.01347 0.01885 0.02690 -0.00282 -0.00055 0.00410 0.00164 0.00079 0.16203 -0.00263 -0.00124 -0.04253 -0.00656 -0.00307 0.00199 -0.00430 -0.08417 0.00274 -0.01263 0.00851 0.00797 0.01118 0.02144 0.01049 0.00336 -0.02794 0.06975 0.00286 0.04926 0.00942 -0.00701 -0.01931 -0.01933 0.01450 -0.00188 0.01524 -0.10568 -0.00442 -0.08681 -0.01034 0.14133 0.48430 0.30740 -0.01691 0.00617 -0.00174 -0.00680 -0.00367 0.03499 0.01708 -0.00777 0.06881 -0.02212 -0.01679 -0.02398 0.01738 -0.02868 0.00526 -0.03712 -0.07477 -0.02315 -0.21480 -0.16484 0.08014 -0.02742 0.01122 0.02619 0.00185 0.04057 -0.08802 0.01313 0.20778 0.13892 0.07312 0.00158 0.01406 -0.09923 0.00134 -0.09367 0.00761 -1.57918 -2.84633 -4.65378 0.34841 0.00212 0.00037 -0.01296 0.00041 -0.02795 0.00354 -0.08142 0.33743 -0.69515 0.09192 -0.00828 0.00503 -0.00165 -0.00243 -0.02734 -0.01292 -0.24367 -0.62588 -0.84948 -0.02269 -0.00963 0.00415 -0.00028 -0.00296 0.01802 -0.01490 0.19215 0.64060 0.56873 -0.10846 0.00732 -0.04230 0.01683 0.00633 -0.00170 -0.00455 0.00004 -0.00129 -0.00080 -0.01210 0.02156 -0.00107 -0.00386 -0.00037 -0.03649 0.00399 0.00038 0.00240 0.00100 0.00647 0.00541 -0.00324 0.05404 -0.00079 0.00965 0.00178 -0.00116 0.00427 -0.00095 0.00349 -0.00657 -0.01687 -0.02156 0.00374 -0.01253 -0.00485 -0.00042 0.00380 -0.00023 -0.01024 0.01934 -0.00836 -0.02565 0.00228 0.03440 0.00216 -0.00020 -0.00193 0.00007 0.00214 -0.00006 -0.00082 0.00595 -0.00014 -0.00559 -0.00008 0.00191 -0.01909 0.00522 -0.00036 -0.00007 -0.00215 0.01365 -0.00044 -0.02388 -0.00015 0.01500 -0.07468 0.04177 -0.00366 0.00081 -0.00375 0.01799 -0.00003 -0.00050 0.00003 -0.37329 -0.85532 0.17911 0.01238 -0.00030 0.00025 0.00316 0.00010 -0.00021 0.00135 -0.63426 -2.75392 0.26638 0.00073 0.00195 0.00053 -0.00002 -0.00030 0.00216 0.00435 0.00113 0.01240 0.00581 0.00117 -0.00691 -0.00160 -0.00204 0.00106 0.00205 -0.01488 -0.00184 -0.00743 -0.00009 -0.00528 -0.00743 -0.00231 0.00161 0.00112 -0.00130 -0.01616 0.00186 0.01017 0.00070 -0.00582 0.04863 0.00939 0.00437 -0.00023 -0.00114 -0.02685 -0.00087 -0.00061 -0.00032 -0.00408 0.07539 0.01465 0.00810 0.00547 -0.00067 -0.06538 -0.00675 -0.00691 -0.00445 0.04385 0.03009 0.00237 -0.00284 0.01539 0.00136 -0.05170 -0.31797 0.23942 -0.06118 -0.08894 0.03158 -0.00724 -0.00238 0.00870 -0.00464 -0.06904 -1.94249 1.01623 -0.94438 3.56964 -0.00303 -0.00050 -0.00039 -0.00059 0.00051 -0.00273 -0.00230 0.00458 -0.00093 0.00573 0.00278 0.00063 -0.00008 -0.00032 0.00043 -0.00165 0.00924 -0.00286 0.00437 -0.00769 -0.00083 -0.00019 0.00068 -0.00053 -0.00028 0.00048 0.00334 -0.00158 0.00422 -0.00027 0.00260 0.00194 -0.01000 0.00022 0.00785 -0.00172 -0.00006 0.00237 -0.00864 0.00017 0.00395 0.00235 -0.01127 -0.00018 0.01429 -0.00548 -0.00745 0.00043 -0.00190 -0.00107 0.00134 0.00254 -0.01300 -0.00085 0.00145 -0.01070 -0.29705 0.17756 0.04590 -0.01131 0.00110 -0.00004 0.01057 -0.00340 0.00378 -0.03056 -2.01351 -0.59218 4.92014 -0.16484 0.00068 0.00026 -0.00091 0.00012 0.00085 -0.00044 0.00153 0.00169 0.00353 -0.00124 -0.00259 -0.00057 0.00059 0.00008 -0.00048 0.00199 -0.00548 0.00081 0.00652 0.00330 -0.00234 -0.00034 -0.00091 0.00012 0.00075 0.00213 0.00612 -0.00024 -0.00507 0.00375 -0.05111 -0.01085 0.00260 0.00012 -0.00054 0.02846 -0.00090 -0.00063 0.00034 0.00435 -0.07943 -0.01712 0.00525 -0.00622 0.00065 0.07001 -0.00662 -0.00899 -0.00513 -0.03895 -0.03041 -0.00145 -0.00330 -0.01397 0.00239 0.07255 -0.31929 0.24913 -0.08068 0.06478 -0.03155 0.00586 -0.00011 -0.00658 -0.00271 0.10905 -1.96238 0.98711 -1.43517 -3.53573 0.00222 0.00038 -0.00014 0.00079 0.00045 0.00286 0.00148 0.00285 0.00137 -0.00356 0.00026 0.00019 -0.00078 -0.00018 0.00042 0.00140 -0.00337 0.00264 -0.00420 -0.00118 0.00366 0.00075 0.00011 -0.00007 -0.00033 -0.00074 -0.00955 0.00377 -0.00531 -0.00868 -0.00044 0.00764 -0.05551 -0.00088 -0.15297 -0.00022 0.00182 0.01576 0.00697 -0.00105 -0.00063 0.01021 -0.07502 -0.00146 -0.24676 -0.00008 0.01040 0.03549 0.03420 -0.00182 -0.00058 0.01066 -0.07126 -0.00379 -0.24763 -0.00160 -0.13116 -0.05040 -0.27564 0.00884 -0.00164 -0.00017 0.00277 -0.00101 -0.04762 -0.00591 0.51529 1.66716 0.13618 -0.01750 -0.00038 0.00076 -0.00319 -0.00003 -0.00831 -0.00014 0.00104 0.00307 0.00262 -0.00036 0.00127 -0.00107 -0.00093 0.00002 0.00320 0.00068 0.00004 -0.00224 0.00026 0.00102 0.00147 -0.00131 -0.00024 -0.00005 -0.00471 0.00093 0.00028 0.00290 0.00046 0.00112 -0.00030 -0.00119 -0.00146 0.00110 -0.00175 -0.00236 -0.00134 0.00021 -0.00368 -0.00239 -0.00051 -0.00200 -0.00248 0.00186 -0.00294 -0.00392 -0.00218 0.00041 -0.00605 -0.00397 -0.15320 -0.00106 0.03665 -0.04372 -0.13269 0.01069 0.00378 0.00626 0.00699 0.00314 -0.03907 0.00426 0.13737 -0.03404 0.00081 0.01101 -0.00098 -0.00226 -0.00401 0.01801 -0.02250 0.23551 -0.08809 0.03723 -0.03343 -0.00553 -0.00025 -0.00404 -0.00005 -0.00700 0.00181 0.00781 0.00923 -0.00700 0.01028 0.01290 0.00577 -0.00263 0.01794 0.01334 -0.22111 -0.00116 0.05227 -0.06318 -0.19087 0.01572 0.00574 0.00800 0.01097 0.00464 -0.05573 0.00546 0.19895 -0.04910 0.00208 0.01682 -0.00193 -0.00360 -0.00791 0.02686 -0.03245 0.33894 -0.12667 0.05364 -0.04791 -0.00848 -0.00028 -0.00595 0.00068 -0.00943 0.00329 -0.00750 -0.00171 0.00193 0.00968 0.02316 0.02778 0.01054 0.06293 0.01671 -0.19863 0.00030 0.05427 -0.05874 -0.18023 0.01491 0.00463 0.01391 0.00663 0.00603 -0.05084 -0.00765 0.16353 -0.04394 -0.00349 0.01421 0.00336 -0.00270 0.00914 0.02104 -0.02809 0.30787 -0.11614 0.05129 -0.04466 -0.00565 -0.00082 -0.00608 -0.00329 -0.01484 -0.02885 0.00698 -0.00874 -0.01680 -0.01342 -0.08969 -0.17427 -0.35757 -0.41826 0.09219 -0.03229 0.00294 0.00669 -0.01693 -0.03913 0.02172 0.00620 0.00440 0.02140 0.00242 -0.01545 0.00087 0.02970 -0.01777 0.00007 -0.02857 -0.06854 -0.12711 -0.21698 0.07810 -0.00545 0.04727 -0.02902 0.00788 -0.01865 -0.01159 -0.00300 -0.06240 -0.01380 0.01226 0.00013 0.00093 -0.00259 0.00049 -0.00039 0.00017 -0.00011 -0.00034 -0.00031 0.00022 -0.00061 -0.00107 0.00049 -0.00060 -0.00095 0.00034 0.00011 -0.00003 0.00015 0.00023 -0.00078 0.00634 -0.00026 0.00062 0.00029 0.00026 -0.00016 -0.00027 -0.00030 0.00052 0.00187 0.00014 -0.00408 0.00127 -0.00059 -0.00032 -0.00022 0.00031 -0.00036 0.00030 -0.00427 0.00006 0.00009 -0.00063 -0.00054 -0.00029 0.00003 -0.00071 0.00004 -0.00032 0.00031 0.00152 -0.00108 -0.00104 -0.00171 0.00231 -0.00132 0.00042 -0.00348 0.00288 0.00052 0.00257 -0.00183 -0.00177 -0.00288 0.00384 -0.00214 0.00075 -0.00573 0.00477 0.15856 -0.07019 0.02546 0.03418 -0.13375 -0.01037 0.00313 0.00431 0.00476 -0.00588 0.02130 0.18622 0.17288 0.05038 0.00117 -0.01011 0.00084 0.00412 0.00019 -0.01033 -0.00150 0.05708 -0.10230 -0.01698 -0.03148 0.00703 0.00206 0.00451 0.00734 0.01415 -0.00180 -0.00998 0.00676 0.00668 0.01008 -0.01254 0.00579 -0.00366 0.01718 -0.01549 0.22870 -0.10119 0.03648 0.04942 -0.19215 -0.01528 0.00474 0.00519 0.00735 -0.00906 0.03065 0.26803 0.24882 0.07272 0.00168 -0.01526 0.00110 0.00590 -0.00055 -0.01409 -0.00151 0.08177 -0.14871 -0.02445 -0.04617 0.01100 0.00366 0.00662 0.01299 0.02084 -0.00378 0.00817 0.00000 -0.00223 0.00945 -0.02374 0.02635 0.00787 0.05858 -0.02764 0.20532 -0.09085 0.03565 0.04524 -0.18252 -0.01480 0.00444 0.01055 0.00624 -0.00747 0.02867 0.24512 0.22629 0.06825 0.00006 -0.01213 0.00227 0.00662 0.00455 -0.02066 -0.00192 0.05743 -0.12078 -0.02124 -0.03843 0.00871 -0.00215 0.00712 -0.00518 0.01807 0.03152 -0.00686 -0.00839 0.02232 -0.01325 0.10035 -0.16506 -0.35441 -0.40739 -0.02328 0.03592 -0.01745 0.00140 0.01788 -0.04193 -0.00740 -0.00971 -0.03912 -0.03552 -0.01437 0.00527 0.03344 0.04537 0.01370 0.00898 -0.01128 -0.00652 0.04441 -0.01613 0.00788 -0.00800 0.01111 -0.02261 -0.01351 -0.00813 -0.03830 0.06627 0.13016 0.21739 0.03970 -0.00024 -0.00160 0.00390 0.00075 0.00093 -0.00032 0.00017 0.00020 0.00035 0.00007 -0.00470 0.00213 -0.00128 -0.00086 0.00016 0.00000 -0.00008 0.00084 -0.00013 -0.00020 -0.00067 -0.00553 -0.00333 -0.00118 0.00045 -0.00015 -0.00025 -0.00010 -0.00051 -0.00052 0.00055 -0.00034 0.00039 0.00012 -0.00043 0.00004 0.00001 0.00018 0.00008 -0.00016 -0.00006 0.00056 0.00021 -0.00026 0.00071 0.00053 -0.00005 0.00014 0.00006 0.00037 0.00004 0.00004 -0.00031 0.00000 0.00001 -0.00004 -0.00685 0.00646 -0.01177 0.00111 0.00007 0.00007 -0.00050 0.00000 -0.00002 -0.00006 -0.01149 0.01091 -0.01982 0.00186 0.01024 0.00515 -0.00689 -0.02097 -0.00591 0.00752 0.00146 0.00989 -0.00602 -0.00771 -0.03631 -0.01496 -0.00334 0.07249 -0.00797 -0.02522 0.00604 -0.00825 0.00991 0.02665 -0.03926 -0.01629 -0.00180 0.07890 0.00409 -0.02754 -0.00522 0.01085 -0.00811 0.03048 -0.00022 -0.00030 0.00199 -0.00003 -0.00007 0.00023 0.03979 -0.03953 0.07004 -0.00648 0.01483 0.00740 -0.00959 -0.03019 -0.00884 0.01095 0.00109 0.01431 -0.00470 -0.01182 -0.05254 -0.02154 -0.00533 0.10435 -0.01019 -0.03658 0.00835 -0.01138 0.01321 0.03998 -0.05675 -0.02365 -0.00203 0.11355 0.00465 -0.03999 -0.00769 0.01523 -0.00931 0.04543 -0.00053 0.00015 -0.00017 0.00000 0.00011 0.00038 0.06615 -0.05153 0.11680 -0.01198 0.01395 0.00690 -0.00914 -0.02979 -0.01195 0.01138 0.00429 0.01770 -0.03897 -0.00867 -0.04921 -0.02021 -0.00633 0.10287 -0.01329 -0.03890 0.01390 -0.01645 0.03056 0.03653 -0.05348 -0.02228 -0.00075 0.11193 0.00657 -0.04259 -0.01073 0.02064 -0.03575 0.04568 0.00132 -0.00191 0.00681 -0.00121 -0.03352 0.00251 -0.18972 -0.16508 0.16585 -0.00848 0.00220 0.00214 -0.00080 -0.00962 0.00464 0.01107 0.00894 0.07091 0.16305 -0.02604 -0.00883 -0.00450 0.00436 0.03397 -0.00903 -0.03935 -0.07564 0.01379 -0.00480 0.05666 -0.01004 -0.00380 -0.00510 0.03779 0.00852 -0.04448 0.06724 0.00800 0.05559 0.05561 0.00013 -0.00005 -0.00009 0.00144 0.00010 -0.00213 0.00006 0.00003 -0.00037 0.00195 0.00003 -0.00005 -0.00007 0.00091 0.00024 -0.00175 -0.00005 0.00070 -0.00001 0.00002 0.00000 -0.00008 0.00051 0.00017 -0.00064 -0.00039 -0.00057 -0.00019 -0.00046 -0.00006 0.00004 -0.00003 0.00023 0.00022 -0.00020 -0.00014 -0.00026 0.00033 0.00059 0.00092 0.00008 -0.00007 0.00003 0.00119 -0.00022 -0.00213 0.00012 -0.00055 0.00053 0.00054 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 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 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 7 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 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 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 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 15 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 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 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 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|7 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|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 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 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|15 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 1.10435 0.88491 0.17265 0.22930 0.23702 0.74217 0.44037 0.54613 0.56113 0.50477 0.12361 0.32004 0.34488 0.13610 0.00093 0.00052 0.00616 0.01168 0.00683 0.00954 0.01377 0.01419 1.10447 0.88479 0.23310 0.19706 0.19398 0.75466 0.52330 0.48139 0.48020 0.38043 0.05598 0.13456 0.12880 0.07879 -0.04386 0.03614 0.03175 0.03139 0.03791 0.02636 0.03568 0.03527 1.10462 0.88450 0.24375 0.19650 0.18109 0.78105 0.55274 0.47488 0.44787 0.53721 0.14385 0.19977 0.20026 0.40201 -0.24499 0.07281 0.04250 0.01527 0.01117 0.01541 0.02234 0.01089 1.09536 0.89599 0.25785 0.26781 0.26647 0.86878 0.59844 0.61300 0.61138 0.60845 0.30498 0.38544 0.39385 -0.31407 -0.02076 -0.02491 -0.00933 0.01137 0.01207 0.00632 0.01226 0.01205 1.09590 0.89544 0.20515 0.27000 0.26062 0.93357 0.49866 0.61074 0.59363 0.81730 0.11442 0.32891 0.32841 -0.02731 0.05358 0.04587 0.04321 0.00928 0.01590 0.00831 0.00788 0.01838 1.09535 0.89590 0.25494 0.26685 0.27373 0.86764 0.59391 0.61297 0.62606 0.60908 0.29486 0.36692 0.41223 -0.26730 0.17774 -0.00696 -0.00944 0.00840 0.01152 0.00488 0.01184 0.01141 1.13240 0.85521 0.16957 0.13873 0.14355 0.60839 0.39781 0.30984 0.31094 0.10938 0.11010 0.08480 0.09735 0.01548 0.00307 0.00568 0.00759 0.06203 0.04765 0.06154 0.03709 0.05192 0.26240 0.37785 -0.11239 -0.02105 0.01876 0.00782 0.01099 0.26912 0.46913 0.01867 -0.00851 0.00689 0.00963 0.00569 0.26857 0.46743 0.01726 0.00161 0.00300 0.00973 0.00955 0.26917 0.46897 0.01479 -0.01034 0.00384 0.00631 0.01204 0.26534 0.56655 0.29145 -0.00790 0.00712 0.00165 0.00257 1.07784 0.91687 0.41160 0.36018 0.40861 1.07290 0.81346 0.74152 0.80938 0.88452 0.63336 0.49259 0.63126 -0.10090 0.03157 0.02238 0.05568 0.00039 0.00006 0.00068 0.00106 0.00071 1.07784 0.91687 0.41430 0.41007 0.35603 1.07294 0.81706 0.81110 0.73632 0.88408 0.64055 0.63749 0.47903 -0.09743 0.03674 0.05383 0.02022 0.00161 0.00066 0.00059 0.00002 0.00002 1.07786 0.91679 0.39280 0.39862 0.38348 1.08613 0.78771 0.79630 0.77296 0.89496 0.54897 0.56032 0.52949 -0.02544 -0.01726 -0.00749 -0.00406 0.00116 0.00170 0.00150 0.00078 0.00135 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 C C C N N N B H H H H H F F F -0.411050 0.177848 -0.295508 0.147177 -0.127849 -0.112519 0.239887 0.455610 0.229368 0.222852 0.235211 -0.126766 -0.265706 -0.269928 -0.098628 0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 34 35 36 37 38 39 40 41 42 43 O O O O O V V V V V -0.447084 -0.430339 -0.430034 -0.381535 -0.356901 -0.005500 0.031674 0.047119 0.062204 0.066575 2.537569 3.234437 2.723293 1.914002 1.903378 2.145552 0.177020 0.253348 0.200019 0.484099 6.041311618609D+02 7.7938 7.5837 -4.8271 11.8978 -68.5124 -84.4524 -65.4896 -23.4162 15.6397 12.4930 4.3057 -11.6343 7.3286 -23.4162 15.6397 12.4930 251.5553 334.8099 -115.8243 141.1446 149.5330 -80.5449 88.6525 101.6956 -62.1583 -32.0647 -1508.7782 -1562.5752 -491.1153 -682.9470 333.6452 -734.1242 344.2791 266.3276 310.7993 -634.7102 -368.6495 -325.1359 180.8569 143.8290 -218.9531 0 -606.0054373 8.538E-9 2.046E-5 3.2011944,-8.64982,5.4486256,-17.4093875,11.6277019,9.2882328 C01 [X(C3H5B1F3N3)] 3.0663275 2.9836524 -1.8991275 0.000001423 -0.000009347 0.000015083 -0.000003259 -0.000025331 0.000025041 -0.000007791 0.000049734 -0.000018187 0.000021318 0.000011210 -0.000007140 0.000000639 -0.000011287 -0.000039988 0.000002125 -0.000045479 0.000011131 0.000004129 0.000014188 0.000073830 -0.000003822 -0.000003532 -0.000006431 0.000003965 -0.000000663 -0.000006357 -0.000003311 -0.000009794 -0.000015970 -0.000005501 0.000019903 -0.000008421 -0.000007749 -0.000000114 -0.000001928 0.000005395 -0.000023472 0.000019149 -0.000000926 0.000013663 -0.000038907 -0.000006635 0.000020321 -0.000000903 145.85840960000002 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5988,.0275,-.0359;-.3146,-1.4107,.7727;-1.6576,-1.5065,.5038;.2143,-.4282,.0085;-.7049,.1255,-.7448;-1.7916,-.5336,-.4267;-2.922,-2.436,1.0195;-2.6586,-.2845,-.8864;2.2421,-.811,-.297;1.6594,.8024,-.7953;1.8754,.4279,.938;-3.9272,-2.0436,.4381;-2.6172,-3.7845,.7021;-3.0242,-2.2753,2.4252;.4476,-2.0811,1.5921; Gaussian 16 GINC-IRENE3528 ZOUBRITL MeQFBF2-H2 ES64L-G16RevC.01 5-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=300 145.85840960000002 0 1 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5939,.0338,-.0471;-.3049,-1.4291,.7753;-1.6538,-1.506,.4987;.2135,-.4299,.0125;-.7036,.1346,-.7284;-1.7938,-.5233,-.4181;-2.9199,-2.4312,1.0111;-2.6606,-.2654,-.8731;2.2341,-.7909,-.3567;1.6346,.8404,-.7739;1.8926,.3922,.9369;-3.9127,-2.0875,.38;-2.582,-3.7887,.7719;-3.0742,-2.2048,2.4042;.4566,-2.1557,1.6207; /ccc/products/gaussian-16-C.01/system/default/g16/g16 Output=MeQFBF2-H2.log nprocshared=64 mem=30GB chk=MeQFBF2-H2.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 MeQFBF2-H2 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 1 1 1 1 2 2 2 3 3 4 5 6 7 7 7 4 9 10 11 3 4 15 6 7 5 6 8 12 13 14 1.4575 1.0889 1.0865 1.089 1.3792 1.3597 1.35 1.3512 1.6497 1.3072 1.3106 1.0124 1.2256 1.4192 1.4197 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 4 4 4 9 9 10 3 3 4 2 2 6 1 1 2 4 3 3 5 3 3 3 12 12 13 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 6 6 6 7 7 7 7 7 7 9 10 11 10 11 11 4 15 15 6 7 7 2 5 5 6 5 8 8 12 13 14 13 14 14 109.118 107.3972 109.1143 110.4956 110.1803 110.4717 107.5378 130.3369 122.1253 101.3535 136.0218 122.6242 128.1579 120.2565 111.5855 103.449 116.0741 125.3754 118.5504 107.7261 107.5405 107.3827 111.9814 111.8715 110.1051 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 9 9 10 10 11 11 4 4 15 15 3 3 15 15 2 2 7 7 2 2 2 6 6 6 1 2 4 4 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 5 5 4 4 4 4 4 4 3 3 3 3 4 4 4 4 6 6 6 6 7 7 7 7 7 7 5 5 6 6 2 5 2 5 2 5 6 7 6 7 1 5 1 5 5 8 5 8 12 13 14 12 13 14 6 6 3 8 59.6608 -120.4264 179.4591 -0.628 -60.7734 119.1395 0.0068 -179.7273 -179.9643 0.3016 179.9129 -0.0062 -0.1131 179.9678 -0.0059 179.9064 179.7749 -0.3128 -177.6628 -56.7885 61.6818 2.6467 123.521 -118.0086 -179.9238 0.0025 0.0023 -179.9163 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 17 out of a maximum of 100 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00022 0.00061 0.00830 0.01712 0.02293 0.02486 0.03437 0.05106 0.07498 0.07832 0.07976 0.09956 0.12418 0.16019 0.16151 0.16240 0.16603 0.18112 0.19611 0.22930 0.24158 0.24595 0.24964 0.27753 0.31185 0.34749 0.34921 0.35064 0.35547 0.37156 0.41816 0.42547 0.44140 0.45644 0.48108 0.51244 0.59184 0.62473 0.67169 -1.75815648e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 2.75554 2.05722 2.05339 2.05728 2.59494 2.55551 2.46512 2.55664 3.12092 2.47739 2.47595 1.91323 2.31577 2.68188 2.67986 1.90439 1.87290 1.90566 1.92744 1.92532 1.92715 1.89919 2.28999 2.09400 1.75325 2.38208 2.14783 2.23369 2.11335 1.93615 1.80269 2.03349 2.18266 2.06703 1.87630 1.87342 1.87747 1.95327 1.95633 1.92290 1.02783 -2.11536 3.11648 -0.02671 -1.07768 2.06231 -0.00092 3.13294 3.14102 -0.00829 3.14070 0.00057 -0.00120 -3.14133 0.00107 -3.14104 -3.13417 0.00690 3.08732 -1.09171 0.97729 -0.06334 2.04082 -2.17337 -3.14016 0.00008 -0.00076 3.14131 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -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 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00002 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00003 -0.00003 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00001 -0.00001 -0.00002 0.00002 0.00003 -0.00003 0.00002 0.00028 0.00036 0.00029 0.00036 0.00028 0.00035 -0.00000 -0.00006 -0.00001 -0.00007 0.00006 -0.00001 0.00006 -0.00000 0.00001 -0.00002 0.00006 0.00003 0.00037 0.00038 0.00041 0.00030 0.00031 0.00033 -0.00004 0.00002 -0.00002 0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00005 -0.00005 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00004 0.00001 0.00004 -0.00000 0.00000 -0.00001 -0.00018 -0.00021 -0.00018 -0.00021 -0.00018 -0.00021 0.00002 -0.00012 -0.00000 -0.00014 -0.00004 -0.00001 -0.00002 0.00001 -0.00003 -0.00001 0.00009 0.00010 0.00025 0.00023 0.00024 0.00009 0.00007 0.00008 0.00002 -0.00001 0.00002 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00001 -0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00008 -0.00008 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00003 0.00002 -0.00005 -0.00002 0.00007 0.00003 -0.00003 0.00001 0.00011 0.00015 0.00011 0.00015 0.00010 0.00014 0.00002 -0.00018 -0.00001 -0.00021 0.00002 -0.00002 0.00004 0.00001 -0.00001 -0.00003 0.00015 0.00013 0.00062 0.00061 0.00065 0.00039 0.00038 0.00041 -0.00002 0.00001 0.00000 0.00002 2.75553 2.05722 2.05339 2.05728 2.59494 2.55552 2.46512 2.55664 3.12093 2.47739 2.47594 1.91324 2.31578 2.68186 2.67985 1.90439 1.87290 1.90566 1.92743 1.92533 1.92714 1.89919 2.28999 2.09401 1.75325 2.38216 2.14775 2.23369 2.11335 1.93614 1.80269 2.03350 2.18263 2.06705 1.87625 1.87341 1.87754 1.95329 1.95630 1.92291 1.02793 -2.11522 3.11659 -0.02656 -1.07758 2.06245 -0.00091 3.13276 3.14101 -0.00850 3.14072 0.00056 -0.00116 -3.14132 0.00106 -3.14107 -3.13403 0.00703 3.08794 -1.09110 0.97794 -0.06295 2.04120 -2.17296 -3.14019 0.00009 -0.00076 3.14134 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000003 0.001059 0.000257 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.310075e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 1 1 1 1 2 2 2 3 3 4 5 6 7 7 7 4 9 10 11 3 4 15 6 7 5 6 8 12 13 14 1.4582 1.0886 1.0866 1.0887 1.3732 1.3523 1.3045 1.3529 1.6515 1.311 1.3102 1.0124 1.2255 1.4192 1.4181 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 4 4 4 9 9 10 3 3 4 2 2 6 1 1 2 4 3 3 5 3 3 3 12 12 13 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 6 6 6 7 7 7 7 7 7 9 10 11 10 11 11 4 15 15 6 7 7 2 5 5 6 5 8 8 12 13 14 13 14 14 109.1134 107.3094 109.1863 110.4339 110.3129 110.4174 108.8158 131.2066 119.9775 100.4539 136.4833 123.0614 127.9808 121.086 110.9331 103.2865 116.5107 125.0573 118.4321 107.504 107.3393 107.5713 111.9139 112.0895 110.1742 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 9 9 10 10 11 11 4 4 15 15 3 3 15 15 2 2 7 7 2 2 2 6 6 6 1 2 4 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 5 4 4 4 4 4 4 3 3 3 3 4 4 4 4 6 6 6 6 7 7 7 7 7 7 5 5 6 2 5 2 5 2 5 6 7 6 7 1 5 1 5 5 8 5 8 12 13 14 12 13 14 6 6 3 58.8902 -121.2013 178.5614 -1.5301 -61.7466 118.1619 -0.053 179.5044 179.9675 -0.4752 179.949 0.0329 -0.0687 -179.9849 0.0613 -179.9684 -179.575 0.3953 176.8904 -62.5504 55.9945 -3.629 116.9302 -124.525 -179.9181 0.0047 -0.0436 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 6 No pseudopotential on this center. 4 7 No pseudopotential on this center. 5 7 No pseudopotential on this center. 6 7 No pseudopotential on this center. 7 5 No pseudopotential on this center. 8 1 No pseudopotential on this center. 9 1 No pseudopotential on this center. 10 1 No pseudopotential on this center. 11 1 No pseudopotential on this center. 12 1 No pseudopotential on this center. 13 9 No pseudopotential on this center. 14 9 No pseudopotential on this center. 15 9 No pseudopotential on this center. 15 15 15 1.00e+00 60 F 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 145.85840960000002 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5939,.0337,-.0471;-.3049,-1.4291,.7753;-1.6538,-1.506,.4987;.2135,-.43,.0125;-.7036,.1346,-.7284;-1.7938,-.5233,-.4181;-2.9199,-2.4312,1.0111;-2.6607,-.2654,-.8731;2.2341,-.7909,-.3567;1.6346,.8404,-.7739;1.8926,.3922,.9369;-3.9127,-2.0875,.38;-2.582,-3.7887,.7719;-3.0742,-2.2048,2.4042;.4566,-2.1557,1.6207; 0.000000 2.534119 0.000000 3.635493 1.379188 0.000000 1.457484 1.359690 2.209317 0.000000 2.398528 2.205727 2.258382 1.307182 0.000000 3.453250 2.112254 1.351196 2.055103 1.310644 0.000000 5.250784 2.810386 1.649709 3.849714 3.810703 2.636434 0.000000 4.344348 3.101805 2.105847 3.011996 2.002768 1.012402 2.882420 0.000000 1.088903 2.852189 4.044641 2.085555 3.102360 4.037278 5.579002 4.949896 0.000000 1.086518 3.363324 4.235397 2.061975 2.442772 3.706774 5.884970 4.436386 1.787381 0.000000 1.088999 2.858669 4.046246 2.085581 3.095083 4.032807 5.580054 4.943710 1.785996 1.787200 0.000000 5.916555 3.688679 2.335549 4.461853 4.057721 2.751998 1.225588 2.541310 6.325133 6.377826 6.337229 0.000000 5.720193 3.279190 2.479324 4.435394 4.601296 3.563761 1.419241 3.889259 5.784067 6.449637 6.126091 2.195097 0.000000 5.728136 3.305182 2.477224 4.436086 4.572298 3.525904 1.419736 3.830550 6.148130 6.445600 5.793628 2.194110 2.327046 0.000000 2.978064 1.350000 2.476895 2.371388 3.479914 3.447578 3.442131 4.416974 2.988700 4.012262 3.003558 4.542557 3.552499 3.616987 0.000000 2.4465777 0.8629527 0.7363178 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 145.85840960000002 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5987,.0264,-.0359;-.3181,-1.4023,.7805;-1.6598,-1.5023,.5058;.2136,-.4273,.0089;-.7022,.1175,-.7547;-1.7902,-.5389,-.4351;-2.9219,-2.434,1.0221;-2.655,-.2948,-.9015;2.2398,-.8118,-.3035;1.6592,.8061,-.7903;1.8782,.4196,.94;-3.9328,-2.0298,.4596;-2.6248,-3.778,.6761;-3.0054,-2.2988,2.4313;.4406,-2.0632,1.6107; 0.000000 2.526268 0.000000 3.639811 1.373183 0.000000 1.458167 1.352318 2.216359 0.000000 2.412249 2.194134 2.264843 1.310976 0.000000 3.458791 2.095278 1.352917 2.055439 1.310216 0.000000 5.254397 2.811106 1.651522 3.858089 3.820244 2.644954 0.000000 4.352699 3.084942 2.104512 3.012537 2.001212 1.012440 2.889310 0.000000 1.088632 2.840248 4.042168 2.085888 3.118126 4.041377 5.570666 4.958247 0.000000 1.086608 3.354783 4.245525 2.061508 2.460004 3.719319 5.896583 4.453796 1.786564 0.000000 1.088668 2.858063 4.049641 2.086829 3.101861 4.033172 5.584837 4.944793 1.786943 1.786414 0.000000 5.922039 3.682717 2.333818 4.468076 4.064724 2.759356 1.225454 2.548688 6.337761 6.393340 6.324344 0.000000 5.728640 3.312842 2.477635 4.441640 4.573597 3.524575 1.419187 3.823931 5.781180 6.443313 6.161582 2.194077 0.000000 5.717662 3.278759 2.480460 4.442141 4.614525 3.576383 1.418118 3.904714 6.099425 6.463581 5.784734 2.195414 2.326657 0.000000 2.901535 1.304483 2.438735 2.300721 3.414168 3.389006 3.433732 4.361366 2.909854 3.934814 2.946275 4.522492 3.634606 3.550238 0.000000 2.4943487 0.8608521 0.7387718 -14.56978 -10.46117 -10.37247 -10.35515 -6.87671 -1.39151 -1.30528 -1.24202 -1.21404 -1.11300 -0.98517 -0.91663 -0.81730 -0.77485 -0.73048 -0.66990 -0.65078 -0.63118 -0.62010 -0.59645 -0.56889 -0.56782 -0.55323 -0.53025 -0.52839 -0.51347 -0.48645 -0.45587 -0.44793 -0.43029 -0.43003 -0.38479 -0.35734 -0.00731 0.03152 0.04625 0.06137 0.06479 0.07104 0.07846 0.09016 0.09758 0.10113 0.10759 0.11468 0.12741 0.13457 0.13680 0.15231 0.15360 0.15909 0.16592 0.18036 0.18243 0.18602 0.19894 0.20390 0.21801 0.22444 0.23430 0.23837 0.24472 0.25397 0.26014 0.26337 0.27405 0.28318 0.29125 0.30334 0.30510 0.31493 0.32401 0.33261 0.34124 0.35733 0.36826 0.37127 0.38241 0.38752 0.39093 0.39734 0.41915 0.42799 0.43356 0.43563 0.45408 0.46105 0.46659 0.47791 0.49746 0.50389 0.51395 0.53739 0.54114 0.54621 0.57315 0.57794 0.61991 0.63660 0.64805 0.66684 0.67101 0.67976 0.68317 0.69180 0.71193 0.72099 0.75124 0.76223 0.81956 0.82966 0.83524 0.83716 0.86774 0.87352 0.88794 0.90851 0.93735 0.96195 0.98275 0.99734 1.04015 1.05990 1.07915 1.10810 1.13236 1.20203 1.21039 1.27507 1.27850 1.31163 1.33040 1.34581 1.36756 1.38623 1.39595 1.42059 1.46910 1.48036 1.49720 1.50194 1.50611 1.51612 1.53057 1.53620 1.56302 1.56584 1.58598 1.59512 1.61903 1.63787 1.66162 1.68306 1.71799 1.79063 1.80366 1.83540 1.86361 1.88372 1.88808 1.92839 1.93189 1.98570 2.01066 2.02015 2.06059 2.12612 2.13027 2.15275 2.16470 2.17421 2.18137 2.27268 2.32392 2.32765 2.33913 2.38855 2.39483 2.50904 2.54194 2.54972 2.57567 2.60620 2.62790 2.65616 2.71514 2.72254 2.74660 2.76627 2.79592 2.84172 2.84923 2.91684 2.93914 2.99635 3.04967 3.05504 3.08025 3.19368 3.28589 3.31689 3.50215 3.59691 3.72396 3.73195 3.77554 3.81818 3.82436 3.88123 3.90384 3.93268 3.94562 3.96182 3.99140 3.99917 4.02892 4.06115 4.06753 4.11176 4.15502 4.19049 4.20553 4.30390 4.34550 4.58053 4.73617 4.74990 4.94849 4.99002 5.08442 5.68078 6.38130 6.47566 6.49551 6.52899 6.53146 6.57162 6.60964 6.68898 6.81302 14.75156 23.73567 24.02177 24.15602 35.48259 35.61310 35.69592 66.89738 67.00292 67.04516 34 35 36 37 38 39 40 41 42 43 O|O|O|O|O|V|V|V|V|V -0.44793 -0.43029 -0.43003 -0.38479 -0.35734 -0.00731 0.03152 0.04625 0.06137 0.06479 -0.00004 0.00015 0.00077 0.00002 0.00145 0.00004 -0.02569 0.01074 0.00152 0.00007 -0.00006 0.00024 0.00127 0.00004 0.00234 0.00007 -0.04172 0.01792 0.00188 0.00011 0.00962 0.00198 0.00035 0.00027 0.01037 -0.00024 0.01729 0.00549 0.00713 -0.00908 -0.03405 -0.00882 -0.00808 -0.00021 0.00801 0.00128 0.00373 0.01114 -0.02611 0.03159 -0.03803 -0.00592 0.00894 -0.00046 -0.00476 0.00115 0.00113 -0.00891 0.02578 0.03421 0.00020 -0.00049 -0.00297 -0.00013 -0.00669 -0.00019 0.11195 -0.06227 0.01131 -0.00017 0.01403 0.00286 0.00118 0.00031 0.01604 0.00213 0.03304 0.00961 0.00036 -0.01937 -0.04984 -0.01262 -0.01224 0.00009 0.01182 -0.00653 0.00734 0.02392 -0.05410 0.06658 -0.05559 -0.00823 0.01348 -0.00026 -0.00687 -0.00763 0.00200 -0.01947 0.04949 0.07227 0.00046 -0.00406 -0.01754 0.00010 -0.01228 -0.00107 0.74040 -0.11398 -0.24392 -0.00211 0.01252 0.00464 0.00482 0.00426 0.01749 -0.00167 -0.16746 0.04877 0.13896 -0.01128 -0.04485 -0.01447 -0.01003 -0.01459 0.01175 0.00770 -0.04811 0.01266 0.02648 0.04267 -0.05031 -0.01047 0.01331 -0.01586 -0.00598 0.00584 -0.00060 -0.00086 0.01311 0.04428 -0.00437 0.00077 -0.01227 -0.00100 -0.01698 -0.01128 7.38958 -1.50418 -3.26722 -0.00567 -0.00257 0.00136 0.00061 0.00245 0.01154 -0.01283 -0.17396 0.03819 0.81112 -0.23432 0.01312 -0.00703 -0.00560 -0.00782 -0.00074 0.05069 -0.06810 0.40563 -1.29241 0.79580 0.01170 -0.00149 0.00771 -0.00718 0.00428 0.04312 0.01375 -0.37328 1.40889 0.86928 -0.00473 -0.00072 0.00020 0.00197 0.00052 -0.00042 -0.00324 -0.00110 -0.00352 -0.00649 -0.00892 -0.00189 0.00063 0.00057 -0.00107 0.01931 0.00044 0.00170 -0.00077 -0.00885 -0.00237 -0.00031 0.00115 -0.00003 -0.00098 0.00577 -0.00228 0.00012 -0.00306 -0.00216 0.00231 0.00074 0.00016 0.00064 -0.00158 -0.01020 0.00434 0.00249 0.00395 0.00145 -0.00872 -0.00202 -0.00055 0.00109 0.00048 0.01577 0.00294 -0.00035 0.00451 -0.00912 -0.00002 -0.00165 -0.00737 0.00019 0.01031 0.00001 -0.00096 -0.01129 0.00788 -0.00021 -0.00003 -0.00273 -0.01217 0.00032 0.01656 0.00002 -0.00216 -0.01898 0.01320 -0.00035 -0.01003 -0.00846 -0.01450 -0.02862 0.03680 -0.01745 -0.01080 0.00543 -0.02925 0.02345 0.03383 0.01788 0.00198 0.10256 0.00208 0.06135 0.01378 -0.01237 0.01067 -0.08185 0.03809 0.01738 -0.01058 0.11457 0.00428 0.06852 -0.01533 0.01455 -0.01716 -0.09096 0.00020 0.00874 0.03891 -0.00098 -0.04701 -0.00001 0.02644 0.06892 -0.03879 0.00129 -0.01630 -0.01326 -0.02001 -0.04755 0.04923 -0.02785 -0.02097 0.02659 -0.06120 0.03736 0.05481 0.03017 0.00542 0.16970 -0.00007 0.09751 0.02181 -0.01321 0.01691 -0.13002 0.06197 0.02877 -0.01830 0.18956 0.00746 0.10902 -0.02512 0.02206 -0.03083 -0.14469 -0.00082 0.00988 0.04429 -0.00135 -0.12668 -0.00084 -0.14897 0.02340 0.13601 -0.00035 -0.00772 -0.00613 -0.00022 -0.03854 0.08913 -0.04277 0.09798 -0.01916 -0.16137 0.07666 0.03479 0.01910 0.01197 0.13940 -0.00963 0.15150 -0.02381 -0.10385 0.06244 -0.25921 0.03728 0.01571 -0.01637 0.15534 0.02619 0.16861 0.04540 0.09390 -0.09889 -0.28063 -0.02496 0.11120 0.30707 0.01446 0.86037 -0.12163 -0.39952 -1.55607 19.93429 0.11762 0.00879 -0.02037 -0.05887 -0.00351 -0.14258 0.02491 0.32851 0.53618 -5.58149 -0.04291 0.00824 -0.02241 -0.00069 0.00582 0.01127 0.03969 0.14742 -0.37648 0.24496 -0.09210 0.00251 -0.02014 -0.00752 0.00297 -0.04611 0.04129 -0.05763 0.46210 -1.66571 -0.07332 -0.01313 -0.00473 0.00215 -0.01983 -0.00183 0.01156 0.00028 -0.00081 -0.00195 0.00119 0.00472 0.00180 0.00766 -0.01261 -0.00868 -0.02118 0.00478 -0.01168 0.00953 -0.01813 0.00246 0.00053 0.00011 -0.00189 -0.00031 -0.00702 -0.00828 0.00917 -0.01696 -0.00518 -0.00909 -0.00216 0.00201 -0.00363 -0.00156 0.01665 -0.00020 -0.00252 0.00325 0.00980 0.00007 -0.00305 -0.00792 -0.01566 0.01011 -0.01407 -0.00311 0.00986 -0.00379 -0.01427 -0.00013 0.00502 0.02345 -0.00056 -0.02820 -0.00000 -0.00406 0.00513 -0.00865 0.00003 -0.00020 0.00811 0.03784 -0.00091 -0.04584 -0.00001 -0.00680 0.00905 -0.01438 0.00006 0.00167 0.01272 0.07052 -0.02818 -0.07999 -0.01379 0.00258 -0.00086 0.01301 -0.02717 -0.00709 0.02265 0.06305 0.09143 -0.05910 0.04836 0.00252 -0.00722 0.00173 0.09486 -0.00688 0.00152 -0.04174 0.10408 0.02984 0.05389 -0.00140 0.00410 0.00220 0.10601 0.00043 -0.02281 -0.10595 0.00258 0.12900 0.00032 0.02203 -0.04729 0.05369 -0.00013 0.00377 0.01827 0.10213 -0.04635 -0.12174 -0.02144 0.01458 0.00643 0.02313 -0.04307 -0.01492 0.03406 0.09395 0.15173 -0.08763 0.07495 0.00572 -0.01633 -0.00183 0.15041 -0.01501 0.00250 -0.06300 0.17211 0.04305 0.08368 -0.00108 0.01306 0.00796 0.16806 0.00259 -0.02457 -0.11819 0.00427 0.29062 -0.00358 0.22359 0.25185 -0.08737 0.00207 -0.00097 0.00573 0.05853 -0.03837 -0.04494 -0.03473 0.03307 -0.00462 -0.09731 -0.07702 0.01040 0.02761 0.04316 0.12530 -0.07465 0.13045 0.04741 0.11509 -0.00499 0.29019 0.01031 0.01340 -0.02970 0.14649 0.05148 0.14285 -0.03355 -0.11225 -0.01869 0.32046 0.03346 -0.07113 -0.13172 -0.01547 -0.58711 0.12120 1.87868 5.48505 -14.28438 -0.12557 0.00585 -0.05945 -0.14714 -0.00657 -0.39355 0.01054 -0.83900 -0.73852 -7.63981 -0.05180 0.01078 0.02969 -0.04097 0.00634 -0.04721 0.10416 -0.47312 0.70746 -1.58108 0.09575 0.02219 0.01924 -0.01347 0.01040 -0.06124 0.13577 0.21958 -0.81976 -0.50128 0.08322 0.01368 0.00329 0.00059 -0.00519 0.00572 0.02268 -0.00380 -0.00041 -0.00385 -0.00334 0.00356 0.00135 -0.00326 0.01731 -0.00085 0.01185 0.00031 0.00853 -0.00167 -0.01036 0.00016 -0.00104 -0.00661 0.00534 -0.00144 0.00143 -0.00149 -0.00386 -0.00211 -0.00295 0.00508 -0.00045 -0.00479 -0.01146 -0.00824 0.00526 0.00533 0.00369 0.00423 0.00391 0.00694 0.00311 0.00222 0.01259 -0.00487 0.01622 0.00343 -0.00619 0.00545 -0.00979 -0.00007 0.00148 0.00685 -0.00012 -0.00618 -0.00002 -0.00066 -0.00171 -0.01153 -0.00002 -0.00011 0.00243 0.01128 -0.00020 -0.01019 -0.00003 -0.00126 -0.00304 -0.01941 -0.00003 -0.02062 -0.00219 0.01274 -0.00072 -0.01366 0.03142 -0.01317 0.01120 0.00310 -0.00801 0.07188 0.01773 0.00103 0.00132 -0.01337 -0.10933 -0.00810 0.00515 -0.00473 0.02888 0.07971 0.01889 -0.00153 0.00195 0.00944 -0.12196 0.00379 -0.00256 0.00479 0.03234 0.00045 -0.00811 -0.03748 0.00064 0.03332 0.00008 0.00961 0.01596 0.06969 0.00015 -0.03221 -0.00303 0.02134 -0.00055 -0.02217 0.04820 -0.01562 0.01628 0.00107 -0.01224 0.11209 0.02717 0.00032 0.00005 -0.02065 -0.16778 -0.01297 0.00969 -0.00261 0.04447 0.12443 0.02956 -0.00082 0.00075 0.01437 -0.18718 0.00754 -0.00568 0.00205 0.04974 -0.00037 -0.00896 -0.04482 0.00086 0.05658 -0.00001 -0.02104 -0.02848 0.14372 0.00183 -0.03181 -0.00492 0.01622 -0.00347 -0.01667 0.06881 -0.13980 0.06493 0.06413 -0.02131 0.11135 0.03031 0.00973 0.01025 -0.02005 -0.23734 -0.05077 -0.00276 -0.04075 0.07225 0.12275 0.02921 -0.01081 0.01188 0.01522 -0.26461 0.00910 0.01672 0.05346 0.08143 -0.00336 0.01516 0.03928 0.00028 0.14169 -0.00499 -1.70562 1.65290 0.07939 -0.01586 -0.00212 0.00691 0.02608 -0.00100 -0.05846 0.05212 -1.49736 -0.92893 1.25148 0.01510 -0.00301 0.02048 0.05614 -0.00559 0.03485 -0.18365 -0.76856 -0.49807 0.91041 -0.00979 -0.00416 -0.00368 -0.04515 -0.00815 -0.04549 -0.19449 0.30932 0.21756 -0.50391 0.01212 0.00258 0.00317 0.00087 0.02321 0.00088 -0.01141 -0.00305 0.00497 -0.00363 -0.01777 -0.00539 -0.00140 -0.00196 0.00019 0.00194 -0.01161 -0.00071 0.00046 0.00027 0.00663 -0.00172 -0.00114 -0.00289 -0.00190 0.00034 -0.00234 -0.00414 -0.00365 0.00048 0.00328 0.00419 0.00118 -0.00407 0.01158 -0.00091 0.00019 0.00295 -0.00760 0.00550 -0.01239 -0.00369 0.00032 0.00114 0.00671 -0.00304 -0.01282 0.00417 -0.00419 0.00295 0.00032 0.00021 -0.00145 -0.00705 -0.00000 -0.00012 -0.00002 -0.00771 -0.00521 0.00326 -0.00021 0.00034 -0.00235 -0.01141 -0.00001 -0.00030 -0.00002 -0.01272 -0.00881 0.00529 -0.00035 0.00127 0.00986 0.02809 0.03015 -0.01006 -0.03773 -0.00125 0.01088 -0.00542 -0.00507 -0.00641 -0.00320 0.05118 -0.10710 -0.01473 0.13189 0.01240 0.00981 0.00268 0.01755 -0.00555 -0.02267 -0.03438 -0.11858 0.01379 0.14704 -0.01135 -0.00637 -0.00324 0.01932 -0.00096 0.00593 0.02883 0.00014 0.00469 0.00006 0.03994 0.03214 -0.01526 0.00135 0.00210 0.01508 0.04234 0.04702 -0.01608 -0.05680 -0.00443 0.01596 -0.00862 -0.00688 -0.01030 -0.00560 0.07782 -0.16693 -0.02341 0.19881 0.01917 0.01918 0.00271 0.02343 -0.00906 -0.03521 -0.05210 -0.18488 0.02185 0.22156 -0.01823 -0.01375 -0.00381 0.02574 -0.00126 0.00689 0.03728 -0.00042 0.00343 0.00099 0.08970 0.09985 -0.01438 0.00131 0.00136 0.01552 0.04377 0.04690 -0.01657 -0.08219 0.00476 0.02582 0.01249 -0.01473 -0.00877 -0.00585 0.06672 -0.16673 -0.01789 0.28501 0.02029 -0.03346 0.00354 0.05194 -0.00762 -0.03184 -0.04251 -0.18504 0.01668 0.31892 -0.01651 0.03633 0.00112 0.05749 0.00608 -0.05675 -0.19046 -0.00326 -0.54861 0.03694 -0.66484 -0.71546 -1.22267 0.08639 -0.00048 -0.00542 -0.01413 0.00156 0.04883 -0.05654 0.76915 0.79258 -0.15290 0.01416 0.00191 0.00990 0.02858 -0.00521 0.07632 0.19384 0.20077 0.14275 -0.05276 -0.07960 0.00436 -0.00859 -0.03096 -0.00622 -0.05618 0.22741 0.01453 0.06980 0.01502 -0.05918 0.00390 -0.00071 0.00032 -0.01285 0.00065 -0.00006 -0.00066 -0.00433 -0.00072 0.00385 0.01084 0.00338 0.00005 0.00329 0.00060 -0.00017 0.00270 0.00103 0.00288 0.01064 0.00267 0.00201 0.00462 0.00199 -0.00101 -0.00003 -0.00134 0.00384 -0.00451 0.00275 -0.00361 -0.00179 0.00153 -0.00816 -0.00059 0.00004 0.00196 0.00800 0.00135 -0.00343 0.01007 0.00220 -0.00167 -0.00099 -0.00061 -0.00013 -0.00156 0.00208 -0.00110 0.00994 0.00011 -0.00149 -0.00732 0.00007 0.00080 0.00001 0.00092 -0.02083 -0.00063 -0.00015 0.00017 -0.00244 -0.01202 0.00012 0.00133 0.00001 0.00151 -0.03453 -0.00103 -0.00024 0.02116 0.00217 -0.01923 0.00104 -0.00383 0.02953 -0.01514 -0.03906 -0.00395 0.01383 -0.07248 -0.02804 -0.03225 -0.00302 0.00877 -0.10292 0.00135 0.01001 0.00729 -0.04891 -0.08218 -0.01789 0.02908 -0.00384 -0.01027 -0.11454 -0.00530 -0.01788 -0.00796 -0.05438 -0.00046 0.00757 0.03699 -0.00046 -0.00214 -0.00010 -0.00424 0.11366 0.00414 0.00086 0.03311 0.00327 -0.03079 0.00199 -0.00884 0.04522 -0.01941 -0.05793 -0.00299 0.02053 -0.11322 -0.04415 -0.04999 -0.00615 0.01501 -0.15746 0.00228 0.02053 0.01360 -0.07239 -0.12827 -0.02843 0.04493 -0.00766 -0.01794 -0.17526 -0.00728 -0.03135 -0.01349 -0.08066 -0.00162 0.01059 0.05471 0.00120 -0.01322 0.00017 0.00250 0.24703 0.01441 0.00201 0.03089 0.01216 0.00923 -0.00007 -0.02130 0.06232 -0.05374 -0.15044 0.03890 0.03610 -0.10946 -0.03382 -0.01606 -0.00016 0.00655 -0.22110 0.01267 0.03561 -0.01778 -0.12926 -0.12400 -0.03022 0.02418 0.00074 -0.01359 -0.24554 -0.02592 -0.06872 0.02470 -0.14322 -0.00613 0.02789 0.11245 0.00281 0.32864 -0.02050 0.59787 -0.51213 0.84329 -0.04193 -0.00161 0.03326 0.09171 0.00403 0.18799 0.03536 -0.28683 -0.94210 1.20105 -0.01258 -0.01574 -0.01298 0.02281 -0.01283 0.08089 -0.17949 0.71289 1.20463 0.55151 -0.04726 -0.01922 -0.01377 0.01106 -0.01449 -0.02281 -0.20191 -0.71406 -1.31685 -0.19844 -0.05251 0.00032 0.00292 0.00340 0.01861 -0.00123 -0.00152 -0.00047 0.00077 0.00013 0.01540 -0.00187 -0.00064 0.00633 -0.01052 -0.00626 0.01405 0.00045 -0.00592 0.00285 -0.00335 -0.00053 -0.00091 -0.00086 -0.00454 0.00057 0.00413 -0.00432 0.00023 -0.00622 -0.00228 0.00122 0.00152 -0.00298 0.01467 -0.00183 -0.00795 -0.00021 -0.00448 -0.00042 0.00948 -0.00140 -0.00279 -0.00857 -0.00302 0.00650 0.01110 0.00080 0.00444 -0.00150 0.00190 -0.00010 0.00303 0.01421 -0.00005 0.01723 -0.00002 -0.00192 -0.00499 -0.00458 -0.00019 -0.00015 0.00440 0.02054 -0.00006 0.02622 -0.00003 -0.00299 -0.00772 -0.00710 -0.00027 -0.00010 0.00312 0.00166 0.00172 0.11453 -0.00076 -0.00021 -0.02524 -0.00245 -0.00560 0.00054 -0.01980 -0.04999 -0.00176 -0.00898 0.00340 0.00528 -0.00094 0.01171 0.01876 -0.00018 0.00197 0.05289 -0.00246 0.04322 0.00397 -0.00503 -0.00738 -0.01197 0.02055 0.00029 -0.00979 -0.04498 0.00030 -0.06243 -0.00021 0.01403 0.01688 0.02924 -0.00018 -0.00031 0.00497 -0.00131 0.00237 0.15995 -0.00210 -0.00068 -0.04244 -0.00601 -0.00775 0.00145 -0.03312 -0.07406 -0.00219 -0.00726 0.00791 0.00796 0.00711 0.02173 0.02700 0.00047 -0.00083 0.07874 -0.00299 0.05542 0.00872 -0.00772 -0.02098 -0.02279 0.02972 0.00486 -0.02323 -0.10544 -0.00649 -0.09098 0.01237 0.14074 0.46090 0.35075 0.02397 0.00933 -0.00724 -0.00634 -0.00284 0.03313 0.03024 -0.01033 0.06269 -0.01241 -0.02843 -0.02621 0.00775 -0.03032 -0.00133 -0.03498 -0.08170 -0.01821 -0.19668 -0.15744 0.09740 -0.02689 0.01994 0.02308 -0.00773 0.04460 -0.08110 0.01905 0.20891 0.16261 0.10549 -0.00369 -0.02126 -0.09750 0.00161 -0.09453 -0.00884 -1.59009 -2.63841 -4.81158 -0.00174 0.00308 -0.00374 -0.01235 -0.00117 -0.02757 0.00649 -0.08253 0.35195 -0.67586 -0.02533 -0.00942 0.00308 -0.00350 0.00293 -0.02802 -0.01283 -0.23594 -0.55787 -0.87977 0.02516 -0.00928 0.00536 -0.00264 0.00290 0.01787 -0.01517 0.20470 0.63354 0.61731 0.02844 0.00580 -0.03541 0.02581 -0.00676 -0.00449 -0.00442 0.00021 -0.00075 -0.00038 -0.02019 0.02259 -0.00053 -0.00546 -0.00031 -0.03840 0.00425 0.00029 0.00242 0.00044 0.01092 0.00676 0.01071 0.05262 -0.00022 0.00938 0.00100 -0.00117 0.00400 -0.00084 0.00321 -0.01082 -0.02297 -0.01597 -0.00248 -0.01279 -0.00369 -0.00048 0.00413 0.00014 -0.01457 0.02190 -0.01827 -0.02389 -0.00129 0.03182 0.00207 -0.00017 -0.00188 -0.00020 0.00301 0.00022 0.00136 0.00617 -0.00019 -0.00535 0.00009 0.00215 -0.02022 0.00540 -0.00011 0.00018 0.00348 0.01421 -0.00042 -0.02326 0.00002 0.01589 -0.08172 0.04275 -0.00016 -0.00176 0.00617 0.01812 -0.00004 -0.00016 -0.00311 -0.37020 -0.85693 0.15352 -0.00584 0.00028 -0.00059 0.00309 0.00025 0.00013 -0.00113 -0.62673 -2.73226 0.12989 -0.02459 0.00175 0.00051 -0.00009 0.00027 0.00223 0.00411 0.00116 0.01210 0.00629 0.00202 -0.00596 -0.00214 -0.00172 -0.00087 0.00205 -0.01441 -0.00166 -0.00782 0.00043 -0.00720 -0.00673 -0.00149 0.00191 -0.00103 -0.00131 -0.01612 0.00179 0.01028 0.00121 -0.00768 0.04302 0.00964 0.00274 -0.00053 -0.00076 -0.02789 -0.00070 -0.00088 0.00025 0.00412 0.06684 0.01533 0.00532 -0.00753 0.00033 -0.06786 -0.00588 -0.00814 -0.00438 0.05467 0.02622 -0.00119 -0.00258 -0.01543 0.00200 -0.06148 -0.31581 0.23376 -0.05435 0.03310 0.02808 -0.00791 0.00121 -0.00863 -0.00336 -0.08339 -1.95206 0.95467 -0.96590 2.82393 -0.00270 -0.00055 -0.00030 0.00073 0.00043 -0.00269 -0.00230 0.00435 -0.00063 0.00495 0.00252 0.00053 -0.00023 0.00029 0.00045 -0.00163 0.00922 -0.00282 0.00455 -0.00690 -0.00048 0.00011 0.00071 0.00043 -0.00029 0.00049 0.00374 -0.00175 0.00390 -0.00014 0.00052 -0.00215 -0.01036 0.00018 0.00799 -0.00039 -0.00050 0.00310 -0.00943 0.00010 0.00073 -0.00246 -0.01202 0.00034 0.01474 -0.00122 -0.00882 0.00293 -0.00696 -0.00043 0.00033 -0.00282 -0.01301 0.00094 0.00116 -0.00247 -0.30194 0.16828 0.05547 0.00161 -0.00074 0.00335 0.00974 0.00122 0.00412 -0.00809 -1.98180 -0.71860 4.74020 -0.00659 0.00061 -0.00010 -0.00094 0.00000 0.00087 -0.00054 0.00169 0.00159 0.00347 -0.00088 -0.00211 -0.00026 0.00075 -0.00004 -0.00053 0.00199 -0.00577 0.00062 0.00624 0.00327 -0.00225 -0.00062 -0.00083 -0.00003 0.00070 0.00221 0.00577 -0.00014 -0.00476 0.00359 -0.04360 -0.00824 0.00452 0.00048 -0.00107 0.02826 -0.00080 -0.00065 0.00026 -0.00432 -0.06770 -0.01257 0.00821 0.00745 -0.00030 0.06894 -0.00573 -0.00715 -0.00410 -0.05408 -0.02389 -0.00328 -0.00377 0.01624 0.00070 0.06714 -0.31672 0.23779 -0.05912 -0.03514 -0.02745 0.00581 -0.00287 0.00778 -0.00420 0.09391 -1.94073 0.98576 -0.99560 -2.79117 0.00195 0.00027 -0.00019 -0.00085 0.00047 0.00278 0.00124 0.00285 0.00167 -0.00276 -0.00005 -0.00014 -0.00080 0.00020 0.00043 0.00137 -0.00301 0.00244 -0.00331 -0.00049 0.00316 0.00068 -0.00005 0.00009 -0.00029 -0.00079 -0.00971 0.00400 -0.00476 -0.00802 0.00044 -0.01163 -0.05466 -0.00074 -0.15282 0.00034 0.00169 0.01559 0.00750 0.00092 0.00065 -0.01561 -0.07388 -0.00132 -0.24650 -0.00007 0.01055 0.03412 0.03387 0.00196 0.00036 -0.01633 -0.07020 -0.00465 -0.24634 0.00455 -0.13486 -0.04021 -0.26814 -0.00073 0.00289 0.00007 0.00238 -0.00086 -0.04689 0.01350 0.51235 1.64450 0.24669 0.00057 -0.00037 -0.00032 -0.00323 -0.00003 -0.00822 -0.00031 0.00109 0.00287 0.00291 -0.00096 0.00143 -0.00140 -0.00064 0.00003 0.00272 0.00083 0.00005 -0.00234 0.00024 0.00229 0.00147 -0.00130 0.00013 -0.00005 -0.00520 0.00065 0.00025 0.00275 0.00063 0.00256 -0.00037 -0.00160 -0.00093 -0.00094 -0.00170 -0.00216 -0.00139 0.00064 -0.00365 -0.00510 -0.00063 -0.00271 -0.00159 -0.00160 -0.00286 -0.00358 -0.00226 0.00112 -0.00601 -0.00855 -0.16833 0.00615 0.03951 0.04112 -0.13256 0.00990 0.00380 0.00586 0.00718 0.00603 -0.04399 0.06163 0.12047 0.03045 -0.00405 0.00979 -0.00096 -0.00265 -0.00496 0.02521 -0.01837 0.18836 -0.16957 -0.03997 -0.03723 -0.00620 -0.00004 -0.00284 0.00055 -0.01649 0.00224 0.01052 0.00584 0.00612 0.01004 0.01159 0.00619 -0.00483 0.01822 0.02973 -0.24298 0.00907 0.05627 0.05945 -0.19070 0.01450 0.00590 0.00755 0.01124 0.00865 -0.06276 0.08847 0.17477 0.04392 -0.00491 0.01515 -0.00199 -0.00414 -0.00928 0.03613 -0.02659 0.27113 -0.24405 -0.05768 -0.05345 -0.00943 0.00007 -0.00437 0.00164 -0.02386 0.00337 -0.00825 0.00046 -0.00264 0.00932 0.02322 0.02695 0.00485 0.05896 0.03231 -0.21767 0.01197 0.05723 0.05507 -0.18000 0.01387 0.00402 0.01271 0.00681 0.01150 -0.05819 0.06286 0.14713 0.03939 -0.01003 0.01229 0.00363 -0.00353 0.00706 0.03859 -0.02278 0.24687 -0.22182 -0.05433 -0.04947 -0.00676 -0.00082 -0.00345 -0.00309 -0.02626 -0.03530 0.00804 -0.00746 0.02318 -0.01227 -0.10590 -0.16613 -0.33244 -0.41838 0.12090 -0.03615 0.00565 0.00634 0.01641 -0.03860 0.01928 0.00961 0.01095 0.02135 0.00141 -0.01857 0.01388 0.02680 0.01927 -0.00153 -0.03533 -0.06743 -0.11929 -0.22015 0.05619 -0.00454 0.03421 -0.04495 -0.00756 -0.02013 -0.00965 0.00052 -0.05714 -0.00680 -0.01602 0.00014 -0.00059 -0.00249 -0.00040 -0.00045 0.00012 -0.00008 -0.00031 -0.00028 0.00013 -0.00038 -0.00095 0.00090 0.00056 -0.00092 0.00035 0.00011 0.00003 0.00013 0.00039 -0.00063 0.00575 -0.00286 -0.00078 0.00019 0.00025 -0.00018 -0.00028 -0.00041 0.00081 0.00219 -0.00156 -0.00381 -0.00120 -0.00052 -0.00033 -0.00023 0.00039 -0.00038 0.00033 -0.00470 -0.00016 0.00008 0.00064 -0.00065 -0.00027 0.00004 -0.00070 0.00006 -0.00037 0.00036 0.00109 -0.00152 0.00106 -0.00175 0.00223 -0.00135 0.00031 -0.00360 0.00559 0.00061 0.00184 -0.00257 0.00179 -0.00295 0.00372 -0.00219 0.00057 -0.00591 0.00936 0.17160 -0.06462 0.04972 -0.04134 -0.13227 -0.01111 0.00315 0.00386 0.00533 -0.00891 0.03277 0.23289 0.09286 -0.05395 -0.00173 -0.00859 0.00090 0.00560 0.00091 -0.01877 0.00968 0.00574 -0.11909 0.01918 -0.03677 0.00676 0.00223 0.00350 0.00710 0.02387 -0.00225 -0.00722 0.00960 -0.00675 0.01031 -0.01221 0.00584 -0.00315 0.01737 -0.03252 0.24750 -0.09318 0.07147 -0.05976 -0.18998 -0.01643 0.00478 0.00443 0.00805 -0.01260 0.04719 0.33514 0.13357 -0.07774 -0.00254 -0.01305 0.00122 0.00793 0.00047 -0.02708 0.01463 0.00744 -0.17267 0.02764 -0.05377 0.01051 0.00380 0.00494 0.01254 0.03421 -0.00264 0.00718 -0.00224 0.00206 0.00959 -0.02199 0.02773 0.00936 0.06345 -0.03584 0.22198 -0.08255 0.06638 -0.05463 -0.18064 -0.01563 0.00459 0.01043 0.00801 -0.01598 0.04345 0.30551 0.12205 -0.07351 -0.00358 -0.00974 0.00210 0.00946 0.00560 -0.03048 0.01140 -0.00442 -0.13762 0.02403 -0.04550 0.00844 -0.00154 0.00643 -0.00502 0.03640 0.02882 -0.00743 -0.00801 -0.01525 -0.01299 0.08873 -0.17425 -0.34042 -0.44984 -0.13782 0.03814 -0.01584 0.00698 -0.01836 -0.04117 -0.01043 -0.01133 -0.04444 -0.04848 -0.01414 0.00665 0.04679 0.02952 -0.01462 0.00802 -0.01291 -0.00372 0.04591 -0.00744 -0.01797 -0.00516 0.00035 -0.02559 0.01150 -0.01059 -0.03430 0.06745 0.11621 0.22844 0.06112 -0.00074 0.00043 0.00419 -0.00084 0.00092 -0.00029 0.00019 0.00024 0.00041 0.00009 -0.00500 0.00171 -0.00212 0.00102 0.00005 -0.00001 -0.00010 0.00084 -0.00013 -0.00033 -0.00104 -0.00624 -0.00087 0.00122 0.00050 -0.00014 -0.00025 -0.00001 -0.00048 -0.00074 0.00081 0.00001 0.00060 -0.00021 -0.00047 0.00011 0.00002 0.00016 0.00010 -0.00017 -0.00022 0.00088 -0.00003 0.00028 0.00067 0.00051 -0.00005 0.00018 0.00005 0.00059 -0.00004 -0.00006 -0.00031 0.00001 -0.00002 0.00000 -0.00759 0.00824 -0.01381 0.00016 -0.00007 -0.00010 -0.00051 0.00002 -0.00004 0.00001 -0.01273 0.01389 -0.02325 0.00027 0.00960 0.00290 -0.00773 0.01997 -0.00640 0.00722 -0.00040 0.01360 -0.01051 -0.01053 -0.03512 -0.01482 0.00075 -0.06999 -0.00592 -0.02502 0.00920 -0.01435 0.01606 0.03713 -0.03893 -0.01653 0.00201 -0.07800 0.00556 -0.02795 -0.00832 0.01549 -0.01699 0.04191 0.00022 0.00044 0.00208 -0.00009 -0.00015 -0.00004 0.04411 -0.04982 0.08204 -0.00102 0.01382 0.00423 -0.01089 0.02873 -0.00935 0.01048 -0.00153 0.01951 -0.01095 -0.01531 -0.05064 -0.02148 0.00075 -0.10057 -0.00744 -0.03631 0.01296 -0.02019 0.02190 0.05422 -0.05618 -0.02375 0.00326 -0.11211 0.00696 -0.04056 -0.01203 0.02191 -0.02232 0.06108 0.00055 -0.00023 0.00048 -0.00004 0.00086 0.00012 0.07309 -0.06951 0.13449 -0.00110 0.01285 0.00407 -0.01022 0.02779 -0.01235 0.01083 0.00042 0.02584 -0.04798 -0.01629 -0.04764 -0.02017 -0.00065 -0.09814 -0.00996 -0.03772 0.01931 -0.02857 0.04316 0.05673 -0.05254 -0.02209 0.00428 -0.10935 0.00854 -0.04216 -0.01689 0.03066 -0.05061 0.06497 -0.00077 0.00250 0.00438 0.00029 -0.03073 -0.00037 -0.14972 -0.19286 0.20951 -0.01157 0.00328 -0.00024 -0.00044 0.00946 0.00392 0.01109 0.00394 0.06004 0.15671 -0.01524 -0.00822 -0.00347 0.00512 -0.03229 -0.00777 -0.03785 -0.06858 0.00214 0.00511 0.06663 -0.00934 -0.00561 -0.00338 -0.03607 0.00926 -0.04178 0.06180 0.01309 0.03546 0.07722 0.00018 -0.00007 -0.00006 -0.00131 0.00012 -0.00221 0.00004 0.00000 -0.00046 0.00390 0.00003 -0.00006 -0.00001 -0.00082 0.00021 -0.00164 -0.00009 0.00076 -0.00017 0.00066 0.00000 0.00007 0.00044 -0.00013 -0.00055 -0.00028 -0.00047 -0.00032 -0.00020 -0.00016 0.00011 0.00004 0.00019 -0.00024 -0.00017 -0.00027 -0.00022 0.00023 0.00055 0.00165 0.00005 -0.00007 0.00000 -0.00105 -0.00014 -0.00198 0.00014 -0.00072 0.00060 0.00163 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 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 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 7 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 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 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 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 15 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 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 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 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|7 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|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 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 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|15 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 1.10434 0.88491 0.17322 0.22908 0.23689 0.74233 0.44109 0.54571 0.56115 0.50522 0.12379 0.31999 0.34352 0.13516 0.00037 0.00179 0.00551 0.01155 0.00729 0.00927 0.01374 0.01410 1.10455 0.88485 0.22839 0.19363 0.19127 0.75048 0.52053 0.47751 0.47925 0.40115 0.07446 0.13177 0.13870 0.09839 -0.04229 0.03927 0.03106 0.02778 0.03411 0.02500 0.03246 0.03285 1.10463 0.88452 0.24360 0.19639 0.17986 0.78196 0.55364 0.47422 0.44536 0.53156 0.14151 0.19450 0.20252 0.39684 -0.24781 0.06973 0.03991 0.01509 0.01130 0.01532 0.02223 0.01095 1.09537 0.89600 0.25873 0.26601 0.26573 0.86971 0.59950 0.61025 0.61039 0.60813 0.30534 0.38182 0.39579 -0.32412 -0.02211 -0.02791 -0.01418 0.01147 0.01197 0.00637 0.01254 0.01223 1.09590 0.89544 0.20572 0.27057 0.25964 0.93438 0.49954 0.61181 0.59171 0.81592 0.11408 0.32648 0.32849 -0.02929 0.05501 0.04747 0.04197 0.00930 0.01581 0.00834 0.00797 0.01863 1.09534 0.89590 0.25476 0.26699 0.27419 0.86724 0.59370 0.61319 0.62702 0.60979 0.29373 0.36415 0.41528 -0.26864 0.18079 -0.00599 -0.00962 0.00816 0.01131 0.00490 0.01181 0.01158 1.13240 0.85521 0.16913 0.13770 0.14508 0.60869 0.39596 0.30772 0.31522 0.11102 0.10770 0.08463 0.09950 0.01568 0.00323 0.00485 0.00846 0.06013 0.04845 0.06047 0.03854 0.05214 0.26207 0.37730 -0.11288 -0.02070 0.01881 0.00783 0.01100 0.26906 0.46905 0.01716 -0.00985 0.00684 0.00945 0.00591 0.26857 0.46718 0.01654 0.00200 0.00297 0.01014 0.00917 0.26904 0.46891 0.01605 -0.01020 0.00397 0.00604 0.01218 0.26535 0.56627 0.28967 -0.00792 0.00698 0.00145 0.00291 1.07784 0.91687 0.41097 0.35964 0.40973 1.07299 0.81260 0.74073 0.81091 0.88415 0.63164 0.49138 0.63457 -0.09590 0.03222 0.02393 0.05504 0.00040 0.00005 0.00062 0.00107 0.00075 1.07784 0.91687 0.41400 0.40939 0.35691 1.07295 0.81657 0.81009 0.73738 0.88485 0.63964 0.63576 0.48254 -0.10127 0.03664 0.05430 0.01880 0.00154 0.00067 0.00062 0.00003 0.00003 1.07789 0.91679 0.39441 0.39352 0.38118 1.09032 0.78855 0.78664 0.76757 0.90143 0.56525 0.56517 0.54231 -0.03378 -0.01631 -0.00476 -0.00283 0.00095 0.00140 0.00139 0.00064 0.00118 7.7074 7.7032 -5.0523 12.0112 -68.5795 -84.6614 -65.7085 -23.1067 15.8157 12.8156 4.4036 -11.6783 7.2746 -23.1067 15.8157 12.8156 251.7677 335.6095 -117.1498 139.3964 149.1785 -82.0062 88.9653 101.7894 -63.8386 -31.9832 -1512.8755 -1567.6472 -491.1825 -677.1547 339.5846 -723.3612 352.4968 268.2451 312.4483 -630.9881 -371.8151 -325.5301 182.7893 144.5534 -216.6656 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 6 6 6 7 7 7 5 1 1 1 1 1 9 9 9 0.001792031 -0.000688667 0.001112758 0.006605970 -0.011188444 0.011684839 0.002230889 -0.003836776 0.004002714 0.006824781 -0.005282816 0.006480635 -0.001209795 -0.000828761 0.000418266 0.003004766 -0.001101352 0.001744476 -0.000476881 -0.001188608 0.000871286 -0.000189997 -0.000336896 0.000243621 -0.000109209 0.000096768 -0.000037223 -0.000065622 -0.000054347 0.000010881 -0.000073243 0.000068810 -0.000211432 0.000220090 0.000174238 -0.000102034 -0.000090151 0.000516938 -0.000007401 0.000022823 0.000052833 -0.000391264 -0.018486451 0.023597079 -0.025820122 0.025820122 0.006743816 7 -606.005482997 PT59000.300S Fri Mar 5 12:01:59 2021 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 C C C N N N B H H H H H F F F -0.410009 0.144837 -0.267831 0.170976 -0.124893 -0.115592 0.238082 0.456567 0.232382 0.223424 0.233994 -0.124703 -0.272195 -0.266146 -0.118894 -0.00000 -14.56679 -10.45713 -10.37216 -10.35159 -6.87654 -1.41397 -1.30259 -1.24222 -1.21422 -1.11068 -0.98309 -0.91564 -0.81862 -0.77557 -0.73608 -0.67262 -0.65475 -0.63085 -0.62122 -0.60550 -0.57284 -0.56714 -0.55284 -0.53037 -0.52838 -0.51344 -0.48359 -0.45478 -0.44695 -0.43027 -0.42993 -0.38134 -0.35682 -0.00529 0.03183 0.04722 0.06234 0.06674 0.07364 0.07933 0.09030 0.09864 0.10146 0.11115 0.11497 0.12782 0.13663 0.13917 0.15181 0.15437 0.16195 0.16606 0.18034 0.18353 0.18723 0.19935 0.20580 0.21842 0.22719 0.23847 0.23869 0.24643 0.25665 0.26339 0.26985 0.27540 0.28463 0.29266 0.30369 0.30694 0.31592 0.32566 0.33468 0.34243 0.35854 0.36780 0.37351 0.38200 0.38725 0.39044 0.39813 0.42175 0.42817 0.43448 0.43652 0.45427 0.46090 0.46808 0.47990 0.49764 0.50598 0.51503 0.53847 0.54147 0.54931 0.57299 0.57932 0.62258 0.63865 0.65016 0.66694 0.67142 0.68072 0.68535 0.69318 0.71555 0.72185 0.75215 0.76366 0.81927 0.83030 0.83609 0.83962 0.87025 0.87584 0.88992 0.91072 0.93806 0.96170 0.98447 1.00109 1.04381 1.05865 1.08043 1.11214 1.13156 1.20446 1.21666 1.27999 1.28350 1.31589 1.33189 1.34701 1.36971 1.38732 1.39959 1.41991 1.46749 1.48029 1.49430 1.49877 1.50501 1.51794 1.53002 1.53374 1.56072 1.56591 1.57712 1.59568 1.61915 1.63838 1.66802 1.68663 1.71873 1.79227 1.80443 1.83549 1.86483 1.88588 1.89083 1.92023 1.93780 2.00011 2.01477 2.02317 2.07445 2.12238 2.13026 2.15674 2.16570 2.17253 2.18158 2.27248 2.32350 2.32894 2.34070 2.39489 2.40074 2.50977 2.54267 2.55806 2.57636 2.60838 2.63441 2.66016 2.71214 2.72485 2.74705 2.77375 2.79869 2.84310 2.85292 2.93406 2.94004 3.00035 3.05007 3.05935 3.09160 3.19588 3.28672 3.36096 3.50557 3.59689 3.72610 3.73186 3.77695 3.81498 3.82520 3.88327 3.91485 3.93285 3.94557 3.96722 3.99114 3.99979 4.04908 4.06915 4.08148 4.15082 4.16520 4.20574 4.20661 4.30241 4.35057 4.58101 4.73618 4.76482 4.94994 5.00789 5.09791 5.67725 6.37493 6.47481 6.49546 6.53145 6.53497 6.57162 6.60988 6.68948 6.87217 14.75149 23.75729 24.02280 24.18543 35.49248 35.61303 35.69755 66.90110 67.00289 67.04516 34 35 36 37 38 39 40 41 42 43 O|O|O|O|O|V|V|V|V|V -0.44695 -0.43027 -0.42993 -0.38134 -0.35682 -0.00529 0.03183 0.04722 0.06234 0.06674 0.00004 -0.00008 0.00077 0.00002 0.00141 0.00005 -0.02555 0.01075 0.00121 -0.00008 0.00007 -0.00013 0.00127 0.00003 0.00228 0.00009 -0.04146 0.01790 0.00142 -0.00012 0.01198 0.00247 0.00041 0.00001 0.01035 -0.00026 0.01743 0.00500 0.00732 -0.01116 -0.04042 -0.00691 -0.00831 0.00108 0.00794 0.00145 0.00416 0.01031 -0.02517 0.03766 -0.04290 -0.00973 0.00818 0.00043 -0.00439 0.00085 0.00128 -0.00798 0.02972 0.03654 -0.00024 0.00019 -0.00291 -0.00021 -0.00646 -0.00034 0.11052 -0.06139 0.01180 -0.00013 0.01755 0.00349 0.00123 0.00018 0.01590 0.00227 0.03363 0.00824 0.00180 -0.02393 -0.05897 -0.00966 -0.01254 0.00104 0.01169 -0.00644 0.00816 0.02223 -0.05183 0.08265 -0.06268 -0.01387 0.01257 0.00008 -0.00626 -0.00787 0.00235 -0.01785 0.05731 0.08056 -0.00015 0.00311 -0.01860 0.00191 -0.01068 -0.00041 0.74190 -0.12215 -0.23365 0.00658 0.01569 0.00312 0.00543 -0.00491 0.01696 -0.00264 -0.17056 0.05268 0.12998 -0.00945 -0.05342 -0.01190 -0.01067 0.01543 0.01114 0.00893 -0.04856 0.01498 0.02209 0.01223 -0.05677 -0.01610 0.01177 0.01467 -0.00629 0.00434 -0.00103 0.00168 0.01862 0.01131 0.00404 -0.00106 -0.01444 0.00069 -0.01702 -0.01126 7.45844 -1.72815 -2.92570 0.17170 -0.00524 0.00134 0.00159 -0.00236 0.01186 -0.01444 -0.18721 0.06944 0.75872 -0.33779 0.01224 -0.00208 -0.00733 0.00827 -0.00119 0.05557 -0.05196 0.37383 -1.29174 1.01895 0.01532 -0.00561 0.00583 0.00619 0.00311 0.04059 0.00521 -0.34425 1.61043 0.97742 -0.00574 -0.00095 0.00007 -0.00183 0.00067 -0.00013 -0.00306 -0.00132 -0.00321 -0.00366 -0.00998 -0.00230 0.00038 -0.00026 -0.00098 0.01858 0.00047 0.00155 -0.00094 -0.00493 -0.00341 -0.00092 0.00106 -0.00004 -0.00088 0.00591 -0.00244 0.00033 -0.00400 -0.00124 0.00274 0.00073 0.00015 -0.00081 -0.00151 -0.01032 0.00429 0.00277 0.00354 0.00069 -0.01057 -0.00215 -0.00068 -0.00078 0.00067 0.01597 0.00302 -0.00038 0.00429 -0.00583 -0.00005 0.00113 -0.00759 0.00028 0.01051 -0.00002 -0.00214 -0.00864 0.00481 -0.00022 -0.00008 0.00187 -0.01255 0.00047 0.01692 -0.00004 -0.00408 -0.01460 0.00821 -0.00035 -0.00991 -0.00242 -0.01524 0.03119 0.03564 -0.01761 -0.00831 0.00085 -0.02164 0.01443 0.03535 0.01656 0.00513 -0.10333 0.00659 0.06010 0.01160 -0.01073 0.00440 -0.04463 0.03699 0.01913 -0.00766 -0.10982 0.00866 0.06386 -0.01311 0.00789 -0.01223 -0.04661 0.00011 -0.00607 0.04026 -0.00139 -0.04799 0.00025 0.03141 0.05583 -0.02692 0.00007 -0.01624 -0.00460 -0.02085 0.05153 0.04704 -0.02797 -0.01708 0.01930 -0.05137 0.02337 0.05802 0.02749 0.01032 -0.17192 0.00718 0.09590 0.01847 -0.01025 0.00637 -0.07059 0.06043 0.03207 -0.01337 -0.18265 0.01431 0.10197 -0.02213 0.01102 -0.02453 -0.07304 0.00090 -0.00620 0.04410 -0.00341 -0.13161 -0.00194 -0.12538 -0.00070 0.20633 0.00259 -0.01200 -0.00308 0.00069 0.04363 0.09079 -0.04629 0.11591 -0.04717 -0.13416 0.04944 0.03269 0.01470 0.01697 -0.14269 -0.00196 0.15067 -0.02664 -0.10631 0.04972 -0.15350 0.03632 0.01864 -0.01359 -0.15048 0.03496 0.15997 0.05818 0.07958 -0.08724 -0.16500 0.04058 -0.09736 0.30210 0.01845 0.85713 0.07319 -0.62901 -0.69842 20.82271 -0.42095 -0.01575 0.02850 -0.05280 -0.00082 -0.14112 -0.02185 0.38367 0.25858 -5.76408 0.10394 -0.00064 -0.01093 -0.00538 -0.00227 0.00686 0.03152 0.14214 -0.34730 0.16542 0.01832 0.00615 -0.01938 -0.01372 -0.00683 -0.04597 0.03660 -0.01763 0.43548 -1.75103 0.04883 -0.01475 -0.00549 0.00149 0.02038 -0.00258 0.01141 0.00032 -0.00097 -0.00182 0.00315 0.00648 -0.00060 0.00783 0.01210 -0.00965 -0.02178 0.00422 -0.01104 0.00764 -0.01273 0.00220 0.00018 0.00022 0.00309 -0.00054 -0.00653 -0.00722 0.00700 -0.01463 -0.00301 -0.01072 -0.00324 0.00184 0.00314 -0.00179 0.01751 0.00047 -0.00280 0.00489 0.00804 0.00108 -0.00006 -0.00832 0.01718 0.00959 -0.01538 -0.00232 0.00835 -0.00217 -0.00973 0.00032 -0.00327 0.02394 -0.00083 -0.02845 -0.00003 -0.00369 0.00385 -0.00750 0.00043 0.00052 -0.00528 0.03863 -0.00134 -0.04623 -0.00004 -0.00615 0.00692 -0.01247 0.00073 0.00460 -0.01224 0.07010 0.02570 -0.08090 -0.01553 0.00223 0.00025 0.01089 -0.01981 -0.01250 -0.00102 0.06571 -0.09780 -0.05541 0.05283 0.00241 -0.00435 0.00328 0.06522 -0.01525 0.01370 -0.04086 -0.10129 0.03404 0.05609 -0.00110 0.00622 0.00536 0.06914 -0.00127 0.01490 -0.10802 0.00381 0.12979 -0.00022 0.01953 -0.04020 0.04870 -0.00289 0.00833 -0.01790 0.10142 0.04292 -0.12304 -0.02397 0.01368 0.00894 0.01833 -0.03179 -0.02388 -0.00148 0.09789 -0.16112 -0.08153 0.08203 0.00552 -0.01188 0.00131 0.10357 -0.02843 0.02047 -0.06176 -0.16772 0.04968 0.08686 -0.00045 0.01659 0.01253 0.10964 -0.00386 0.01538 -0.11937 0.00718 0.29686 0.00429 0.23155 0.25054 -0.11849 -0.00014 -0.00189 -0.01082 0.05831 0.03741 -0.04212 -0.04427 0.03865 -0.01681 -0.10345 -0.05751 0.00050 0.01008 0.04737 -0.13907 -0.06741 0.13775 0.04936 0.12419 -0.01909 0.19732 0.00131 0.02239 -0.02600 -0.13948 0.05795 0.14989 -0.03448 -0.11239 0.00505 0.21153 -0.04903 0.06941 -0.12341 -0.01958 -0.58590 -0.06884 2.10091 4.85299 -15.37894 0.13607 -0.01903 0.03514 -0.14802 -0.00325 -0.38943 -0.06254 -0.76120 -1.06727 -7.76638 0.20559 0.01497 0.02643 -0.03432 -0.01359 -0.04863 0.11968 -0.46153 0.62564 -1.78569 0.09683 0.00466 0.04959 -0.00073 -0.00967 -0.05744 0.10973 0.21420 -0.90898 -0.46108 -0.00531 0.01532 0.00339 0.00143 0.00530 0.00535 0.02250 -0.00337 -0.00080 -0.00276 -0.00107 0.00283 0.00216 -0.00274 -0.01680 0.00040 0.01087 0.00056 0.00737 -0.00128 -0.00498 0.00003 0.00123 -0.00659 -0.00512 -0.00120 0.00268 -0.00162 -0.00375 -0.00228 -0.00117 0.00588 0.00136 -0.00470 0.01181 -0.00924 0.00510 0.00499 0.00453 0.00323 0.00173 0.00702 0.00215 0.00309 -0.01306 -0.00416 0.01625 0.00308 -0.00504 0.00404 -0.00480 0.00018 -0.00094 0.00693 -0.00017 -0.00619 -0.00007 -0.00002 -0.00321 -0.00947 0.00053 0.00029 -0.00155 0.01139 -0.00028 -0.01019 -0.00012 -0.00021 -0.00553 -0.01598 0.00090 -0.02503 -0.00768 0.01259 0.00073 -0.01344 0.03210 -0.01256 0.00993 0.00417 -0.00431 0.08567 0.01953 0.00219 -0.00426 -0.01434 -0.10962 -0.00733 0.00463 -0.00320 0.01350 0.09179 0.02140 0.00122 -0.00377 0.00867 -0.11677 0.00307 -0.00036 0.00409 0.01372 -0.00102 0.00520 -0.03766 0.00090 0.03320 0.00028 0.00656 0.02363 0.05849 -0.00331 -0.03899 -0.01212 0.02111 0.00061 -0.02167 0.04916 -0.01452 0.01430 0.00268 -0.00652 0.13381 0.03048 0.00197 -0.00452 -0.02206 -0.16812 -0.01171 0.00909 0.00012 0.02067 0.14318 0.03293 0.00369 -0.00379 0.01296 -0.17913 0.00651 -0.00285 0.00053 0.02144 -0.00044 0.00518 -0.04627 0.00120 0.05612 0.00169 -0.03408 0.00004 0.11057 -0.00694 -0.03866 -0.01135 0.01684 0.00251 -0.01802 0.07028 -0.13945 0.05896 0.07241 -0.01322 0.13142 0.03078 0.01242 -0.01429 -0.02162 -0.23959 -0.04818 -0.00465 -0.04145 0.04002 0.14207 0.03553 -0.00752 -0.01319 0.01364 -0.25409 0.00574 0.02441 0.05944 0.03707 -0.00064 -0.01459 0.03907 0.00114 0.13792 0.00636 -1.71423 1.80030 -0.02615 -0.01313 0.00341 -0.00997 0.02536 -0.00631 -0.05806 0.05042 -1.50886 -0.91862 1.24564 -0.01219 -0.00065 -0.00297 0.05775 0.00527 0.03144 -0.18534 -0.78437 -0.46176 0.93509 -0.03660 0.00110 0.01467 -0.04733 0.00571 -0.04635 -0.19368 0.32196 0.17319 -0.56390 -0.05210 0.00196 0.00251 0.00164 -0.02292 0.00173 -0.01189 -0.00264 0.00415 -0.00342 -0.01149 -0.00626 -0.00085 -0.00222 0.00039 0.00189 -0.01113 -0.00030 -0.00002 0.00165 0.00479 -0.00198 -0.00001 -0.00308 0.00067 0.00035 -0.00288 -0.00431 -0.00306 -0.00013 0.00180 0.00423 0.00243 -0.00385 -0.01146 -0.00041 0.00016 0.00283 -0.00710 0.00478 -0.00870 -0.00478 -0.00037 0.00120 -0.00675 -0.00261 -0.01310 0.00365 -0.00324 0.00158 0.00071 -0.00030 0.00095 -0.00756 0.00000 -0.00012 0.00004 -0.00798 -0.00458 0.00265 0.00011 -0.00049 0.00153 -0.01225 0.00001 -0.00030 0.00007 -0.01317 -0.00777 0.00429 0.00020 0.00088 -0.00006 0.02908 -0.03252 -0.00913 -0.03940 -0.00001 0.00865 -0.00259 -0.00605 0.00024 -0.01917 0.04926 0.10951 -0.01833 0.13470 0.01143 0.01149 0.00062 0.02112 -0.00209 -0.00843 -0.03997 0.11743 0.00975 0.14298 -0.01027 -0.00853 0.00196 0.02282 0.00134 -0.00388 0.03120 0.00009 0.00456 -0.00021 0.04151 0.02870 -0.01217 -0.00104 0.00138 0.00018 0.04390 -0.05063 -0.01460 -0.05931 -0.00270 0.01272 -0.00471 -0.00828 0.00001 -0.02975 0.07463 0.17069 -0.02902 0.20282 0.01752 0.02190 -0.00136 0.02774 -0.00353 -0.01352 -0.06076 0.18294 0.01548 0.21530 -0.01658 -0.01728 0.00491 0.03040 0.00191 -0.00408 0.04143 -0.00020 0.00412 -0.00061 0.09140 0.08612 0.00427 -0.00018 0.00207 -0.00106 0.04464 -0.05057 -0.01541 -0.08531 0.00833 0.02020 0.02701 -0.01647 0.00059 -0.02755 0.06356 0.17099 -0.02387 0.29223 0.01870 -0.02752 0.00223 0.06459 -0.00249 -0.01295 -0.04958 0.18290 0.01048 0.30998 -0.01378 0.03117 0.01208 0.06614 -0.00636 0.04475 -0.18986 -0.00536 -0.53599 -0.04078 -0.63568 -0.92291 -1.31747 0.00494 0.00021 0.00473 -0.01588 -0.00208 0.04724 -0.05224 0.77781 0.78594 -0.22466 -0.02836 0.00333 -0.00625 0.02943 0.00703 0.07391 0.21364 0.19877 0.17565 -0.04810 -0.10198 0.00170 0.00910 -0.03010 0.00629 -0.05636 0.21479 0.02142 0.05401 -0.00918 -0.11700 0.00537 -0.00042 -0.00012 0.01276 0.00020 0.00016 -0.00059 -0.00430 -0.00034 0.00295 0.01184 0.00347 0.00050 -0.00377 0.00045 0.00037 0.00265 0.00165 0.00262 0.00564 0.00345 0.00037 0.00498 -0.00145 -0.00104 0.00014 -0.00122 0.00366 -0.00435 0.00178 -0.00384 -0.00232 0.00113 0.00830 -0.00076 -0.00006 0.00196 0.00772 0.00112 -0.00182 0.01179 0.00311 -0.00147 0.00063 -0.00079 0.00033 -0.00138 0.00209 -0.00047 0.00581 -0.00014 0.00089 -0.00725 0.00008 0.00081 0.00004 0.00057 -0.01995 -0.00107 0.00013 -0.00022 0.00146 -0.01191 0.00014 0.00135 0.00006 0.00094 -0.03305 -0.00178 0.00021 0.02432 0.00933 -0.01905 -0.00129 -0.00395 0.03119 -0.01507 -0.03891 -0.00173 0.01005 -0.08580 -0.01942 -0.03513 0.00517 0.00991 -0.10715 0.00074 0.00946 0.00430 -0.03300 -0.08924 -0.02874 0.02752 0.00491 -0.00859 -0.11427 -0.00519 -0.02052 -0.00736 -0.03446 0.00060 -0.00456 0.03663 -0.00053 -0.00223 -0.00004 -0.00238 0.10837 0.00701 -0.00075 0.03791 0.01485 -0.03050 -0.00251 -0.00902 0.04768 -0.01919 -0.05768 0.00048 0.01432 -0.13393 -0.03066 -0.05454 0.00954 0.01688 -0.16394 0.00136 0.01933 0.00875 -0.04778 -0.13943 -0.04528 0.04252 0.00913 -0.01554 -0.17480 -0.00719 -0.03567 -0.01265 -0.04982 0.00230 -0.00586 0.05401 0.00143 -0.01401 -0.00168 0.00646 0.23884 0.02330 -0.00150 0.03798 0.00728 0.00931 -0.00072 -0.02266 0.06753 -0.05369 -0.14299 0.04453 0.02797 -0.12834 -0.03340 -0.02004 0.00168 0.00802 -0.22955 0.01180 0.03391 -0.02492 -0.09155 -0.13414 -0.03922 0.02104 0.00263 -0.01082 -0.24529 -0.02636 -0.07287 0.02983 -0.09982 0.00861 -0.01865 0.11125 0.00400 0.32053 0.03087 0.57949 -0.44148 0.97397 -0.07525 0.01283 -0.01846 0.09275 -0.00328 0.18353 0.07387 -0.29755 -0.87814 1.23198 -0.02341 -0.01504 -0.01906 0.01659 0.01438 0.07760 -0.18256 0.70019 1.21816 0.47331 -0.03913 -0.01560 -0.02328 0.00424 0.01496 -0.02481 -0.19939 -0.73640 -1.38642 -0.11264 0.05667 -0.00040 0.00146 0.00411 -0.01914 -0.00075 -0.00089 -0.00034 0.00118 0.00044 0.00971 -0.00140 -0.00264 0.00607 0.01035 -0.00669 0.01351 0.00038 -0.00577 0.00277 -0.00113 -0.00045 -0.00047 -0.00108 0.00355 0.00048 0.00398 -0.00404 -0.00062 -0.00529 -0.00026 0.00047 0.00231 -0.00270 -0.01516 -0.00135 -0.00795 -0.00001 -0.00443 0.00038 0.00530 -0.00150 0.00015 -0.00858 0.00351 0.00638 0.01142 0.00095 0.00389 -0.00102 0.00198 0.00018 -0.00196 0.01439 0.00000 0.01731 0.00005 -0.00179 -0.00540 -0.00394 0.00032 0.00026 -0.00284 0.02081 0.00001 0.02635 0.00009 -0.00278 -0.00836 -0.00609 0.00048 -0.00037 0.00166 0.00405 0.00121 0.11624 -0.00151 -0.00072 -0.02524 -0.00270 -0.00320 0.00062 -0.00045 -0.05698 0.00251 -0.01409 0.00402 0.00510 0.00175 0.01177 0.01067 0.00228 -0.01612 0.04654 0.00225 0.03714 0.00412 -0.00457 -0.00620 -0.00989 0.01284 -0.00059 0.00642 -0.04552 0.00022 -0.06282 0.00023 0.01347 0.01888 0.02702 -0.00172 -0.00075 0.00387 0.00228 0.00193 0.16269 -0.00280 -0.00134 -0.04265 -0.00679 -0.00351 0.00142 -0.00392 -0.08553 0.00302 -0.01397 0.00857 0.00802 0.01206 0.02165 0.01102 0.00397 -0.02789 0.06816 0.00281 0.04685 0.00941 -0.00697 -0.01807 -0.01920 0.01393 -0.00549 0.01522 -0.10647 -0.00948 -0.08768 -0.01906 0.14109 0.48229 0.30394 -0.02757 0.00464 -0.00067 -0.00663 -0.00663 0.03563 0.01180 -0.00768 0.07064 -0.02054 -0.01744 -0.02340 0.01727 -0.02960 0.00742 -0.03814 -0.07144 -0.02554 -0.21927 -0.17365 0.07850 -0.02796 0.01173 0.02488 -0.00025 0.03917 -0.09069 0.01146 0.20257 0.12962 0.07565 0.00415 0.01422 -0.09849 0.00205 -0.09258 0.01404 -1.57742 -2.83143 -4.65603 0.21378 0.00175 0.00024 -0.01312 0.00010 -0.02787 0.00171 -0.08081 0.33710 -0.69677 0.09579 -0.00790 0.00557 -0.00127 -0.00240 -0.02710 -0.01353 -0.24664 -0.63110 -0.84426 -0.04306 -0.00996 0.00362 -0.00020 -0.00305 0.01801 -0.01450 0.18831 0.62819 0.57709 -0.09121 0.00724 -0.04222 0.01847 0.00596 -0.00079 -0.00435 0.00007 -0.00151 -0.00041 -0.01188 0.02196 -0.00202 -0.00346 -0.00050 -0.03576 0.00376 0.00035 0.00245 0.00094 0.00625 0.00533 -0.00148 0.05418 -0.00118 0.00956 0.00205 -0.00115 0.00435 -0.00101 0.00383 -0.00597 -0.01703 -0.02091 0.00408 -0.01269 -0.00524 -0.00037 0.00368 0.00003 -0.01055 0.01875 -0.00824 -0.02477 0.00280 0.03513 0.00214 -0.00025 -0.00192 0.00003 0.00211 -0.00017 -0.00084 0.00588 -0.00028 -0.00563 -0.00007 0.00190 -0.01907 0.00523 -0.00012 -0.00010 -0.00244 0.01355 -0.00069 -0.02390 0.00005 0.01500 -0.07471 0.04206 -0.00262 0.00217 -0.00536 0.01775 -0.00005 -0.00054 0.00285 -0.37390 -0.85471 0.17829 0.01452 -0.00042 0.00119 0.00341 0.00036 -0.00013 0.00187 -0.63552 -2.75182 0.26555 0.01672 0.00199 0.00054 -0.00009 -0.00030 0.00212 0.00446 0.00113 0.01239 0.00578 0.00126 -0.00707 -0.00163 -0.00190 0.00110 0.00205 -0.01507 -0.00180 -0.00736 0.00006 -0.00522 -0.00737 -0.00235 0.00177 0.00109 -0.00129 -0.01597 0.00192 0.01024 0.00086 -0.00586 0.04966 0.00969 0.00359 -0.00025 -0.00121 -0.02720 -0.00090 -0.00052 -0.00024 -0.00408 0.07699 0.01506 0.00691 0.00550 -0.00079 -0.06641 -0.00660 -0.00689 -0.00451 0.04290 0.02947 0.00381 -0.00335 0.01560 0.00101 -0.05606 -0.31940 0.24330 -0.06686 -0.08378 0.03150 -0.00622 -0.00267 0.00821 -0.00463 -0.07825 -1.94072 1.02582 -1.02949 3.56283 -0.00306 -0.00051 -0.00035 -0.00059 0.00051 -0.00275 -0.00226 0.00455 -0.00100 0.00574 0.00284 0.00064 -0.00012 -0.00031 0.00043 -0.00164 0.00925 -0.00284 0.00449 -0.00767 -0.00076 -0.00017 0.00070 -0.00051 -0.00027 0.00048 0.00336 -0.00160 0.00425 -0.00025 0.00150 0.00174 -0.01002 0.00034 0.00786 -0.00102 -0.00005 0.00237 -0.00861 0.00011 0.00236 0.00206 -0.01130 0.00018 0.01429 -0.00326 -0.00744 0.00043 -0.00172 -0.00030 0.00069 0.00240 -0.01298 0.00008 0.00144 -0.00614 -0.29711 0.17787 0.04579 -0.00923 0.00158 -0.00143 0.01037 -0.00170 0.00356 -0.01707 -2.01521 -0.58774 4.92872 -0.12094 0.00068 0.00027 -0.00092 0.00008 0.00085 -0.00051 0.00154 0.00169 0.00354 -0.00119 -0.00254 -0.00056 0.00063 0.00007 -0.00049 0.00199 -0.00555 0.00080 0.00649 0.00336 -0.00244 -0.00036 -0.00088 0.00012 0.00075 0.00211 0.00602 -0.00026 -0.00511 0.00371 -0.05104 -0.01091 0.00341 0.00011 -0.00049 0.02814 -0.00086 -0.00069 0.00025 0.00436 -0.07929 -0.01726 0.00647 -0.00614 0.00072 0.06900 -0.00670 -0.00918 -0.00495 -0.04015 -0.03174 -0.00033 -0.00240 -0.01379 0.00292 0.06775 -0.31972 0.24777 -0.07772 0.07155 -0.03208 0.00653 0.00042 -0.00722 -0.00262 0.09919 -1.96764 0.97951 -1.36291 -3.54813 0.00227 0.00039 -0.00017 0.00079 0.00044 0.00285 0.00146 0.00286 0.00136 -0.00350 0.00018 0.00017 -0.00078 -0.00020 0.00043 0.00139 -0.00333 0.00261 -0.00419 -0.00117 0.00368 0.00077 0.00005 -0.00009 -0.00032 -0.00076 -0.00952 0.00381 -0.00518 -0.00869 -0.00076 0.00746 -0.05557 -0.00146 -0.15296 -0.00051 0.00185 0.01572 0.00701 -0.00124 -0.00112 0.00995 -0.07511 -0.00251 -0.24667 -0.00016 0.01046 0.03536 0.03413 -0.00226 -0.00106 0.01138 -0.07128 -0.00708 -0.24711 -0.00539 -0.13129 -0.04990 -0.27466 0.00633 -0.00382 0.00012 0.00245 -0.00150 -0.04785 -0.01623 0.51129 1.64932 0.13455 0.02568 -0.00042 0.00077 -0.00321 -0.00006 -0.00836 -0.00007 0.00103 0.00304 0.00263 -0.00016 0.00123 -0.00106 -0.00090 0.00005 0.00336 0.00060 0.00004 -0.00218 0.00022 0.00106 0.00148 -0.00133 -0.00020 -0.00008 -0.00454 0.00102 0.00028 0.00295 0.00042 0.00114 -0.00029 -0.00118 -0.00146 0.00115 -0.00177 -0.00241 -0.00133 0.00011 -0.00364 -0.00257 -0.00050 -0.00199 -0.00246 0.00195 -0.00297 -0.00401 -0.00215 0.00024 -0.00597 -0.00428 -0.15270 0.00202 0.03531 -0.04573 -0.13292 0.01095 0.00378 0.00623 0.00696 0.00335 -0.03742 0.00009 0.13899 -0.03593 0.00215 0.01131 -0.00110 -0.00193 -0.00444 0.01840 -0.02242 0.23574 -0.08544 0.03696 -0.03205 -0.00506 -0.00026 -0.00459 -0.00000 -0.00650 0.00178 0.00778 0.00917 -0.00728 0.01040 0.01325 0.00566 -0.00212 0.01751 0.01427 -0.22037 0.00327 0.05035 -0.06607 -0.19120 0.01612 0.00573 0.00789 0.01089 0.00489 -0.05337 -0.00053 0.20128 -0.05184 0.00399 0.01720 -0.00207 -0.00308 -0.00859 0.02736 -0.03232 0.33925 -0.12284 0.05320 -0.04591 -0.00779 -0.00029 -0.00671 0.00074 -0.00870 0.00302 -0.00729 -0.00149 0.00161 0.00975 0.02278 0.02794 0.01218 0.06411 0.01943 -0.19802 0.00437 0.05252 -0.06149 -0.18056 0.01520 0.00468 0.01419 0.00679 0.00650 -0.04865 -0.01314 0.16563 -0.04645 -0.00174 0.01475 0.00309 -0.00225 0.00903 0.02219 -0.02798 0.30790 -0.11307 0.05119 -0.04294 -0.00490 -0.00077 -0.00712 -0.00294 -0.01410 -0.02631 0.00577 -0.00987 -0.01382 -0.01337 -0.08199 -0.17688 -0.36058 -0.42905 0.08514 -0.03177 0.00293 0.00617 -0.01738 -0.03941 0.02305 0.00614 0.00227 0.02042 0.00117 -0.01433 -0.00010 0.02988 -0.01714 0.00076 -0.02578 -0.06873 -0.12628 -0.22213 0.07563 -0.00550 0.04716 -0.02842 0.00826 -0.01813 -0.01183 -0.00418 -0.06404 -0.01711 0.01397 0.00010 0.00115 -0.00261 0.00052 -0.00036 0.00020 -0.00012 -0.00035 -0.00032 0.00024 -0.00070 -0.00103 0.00047 -0.00063 -0.00095 0.00033 0.00011 -0.00005 0.00014 0.00023 -0.00078 0.00630 -0.00010 0.00058 0.00032 0.00025 -0.00015 -0.00025 -0.00029 0.00049 0.00180 0.00024 -0.00407 0.00131 -0.00061 -0.00032 -0.00022 0.00030 -0.00037 0.00029 -0.00425 0.00016 0.00008 -0.00064 -0.00051 -0.00030 0.00003 -0.00071 0.00004 -0.00035 0.00031 0.00152 -0.00109 -0.00100 -0.00169 0.00227 -0.00134 0.00052 -0.00355 0.00269 0.00052 0.00257 -0.00185 -0.00170 -0.00284 0.00378 -0.00218 0.00092 -0.00585 0.00446 0.15724 -0.06866 0.02500 0.03154 -0.13424 -0.00987 0.00318 0.00432 0.00494 -0.00537 0.02116 0.18510 0.17507 0.04971 0.00162 -0.01052 0.00087 0.00356 0.00028 -0.01066 -0.00415 0.06110 -0.09921 -0.01580 -0.02939 0.00683 0.00195 0.00470 0.00695 0.01383 -0.00176 -0.01000 0.00684 0.00644 0.00997 -0.01227 0.00594 -0.00416 0.01778 -0.01456 0.22680 -0.09899 0.03578 0.04562 -0.19288 -0.01454 0.00484 0.00528 0.00766 -0.00840 0.03043 0.26641 0.25201 0.07179 0.00235 -0.01584 0.00113 0.00514 -0.00040 -0.01457 -0.00533 0.08754 -0.14426 -0.02274 -0.04317 0.01076 0.00354 0.00695 0.01241 0.02044 -0.00405 0.00833 -0.00007 -0.00234 0.00939 -0.02415 0.02615 0.00610 0.05729 -0.02479 0.20365 -0.08904 0.03522 0.04177 -0.18312 -0.01415 0.00439 0.01024 0.00615 -0.00637 0.02847 0.24399 0.22888 0.06711 0.00055 -0.01283 0.00238 0.00554 0.00481 -0.02108 -0.00527 0.06282 -0.11684 -0.01976 -0.03569 0.00833 -0.00248 0.00724 -0.00542 0.01709 0.03351 -0.00827 -0.00681 0.02476 -0.01275 0.10651 -0.16227 -0.34953 -0.39315 -0.03175 0.03600 -0.01772 0.00142 0.01752 -0.04217 -0.00578 -0.00829 -0.03572 -0.03183 -0.01595 0.00563 0.03311 0.04599 0.01336 0.00919 -0.01024 -0.00721 0.04347 -0.01787 0.00611 -0.00904 0.01188 -0.02233 -0.01415 -0.00738 -0.04010 0.06630 0.13045 0.21177 0.04238 -0.00011 -0.00182 0.00382 0.00070 0.00093 -0.00032 0.00016 0.00017 0.00033 0.00007 -0.00468 0.00208 -0.00121 -0.00080 0.00021 0.00001 -0.00008 0.00084 -0.00012 -0.00017 -0.00065 -0.00548 -0.00346 -0.00118 0.00042 -0.00015 -0.00025 -0.00011 -0.00052 -0.00054 0.00048 -0.00041 0.00032 0.00009 -0.00042 0.00002 0.00001 0.00019 0.00007 -0.00019 0.00001 0.00045 0.00019 -0.00024 0.00071 0.00052 -0.00005 0.00013 0.00006 0.00036 0.00006 0.00004 -0.00030 0.00001 0.00000 -0.00003 -0.00684 0.00646 -0.01178 0.00071 0.00010 0.00007 -0.00049 0.00002 -0.00003 -0.00006 -0.01147 0.01090 -0.01984 0.00119 0.01078 0.00512 -0.00707 -0.02146 -0.00576 0.00757 0.00148 0.00978 -0.00588 -0.00801 -0.03664 -0.01531 -0.00266 0.07321 -0.00866 -0.02550 0.00597 -0.00789 0.00937 0.02731 -0.03899 -0.01615 -0.00101 0.07806 0.00341 -0.02719 -0.00526 0.01122 -0.00870 0.02990 -0.00032 -0.00029 0.00197 -0.00008 -0.00003 0.00022 0.03970 -0.03947 0.07009 -0.00408 0.01563 0.00736 -0.00985 -0.03086 -0.00863 0.01101 0.00109 0.01416 -0.00450 -0.01224 -0.05304 -0.02204 -0.00435 0.10542 -0.01120 -0.03701 0.00829 -0.01089 0.01242 0.04086 -0.05635 -0.02346 -0.00088 0.11233 0.00367 -0.03948 -0.00769 0.01572 -0.01014 0.04467 -0.00080 0.00035 -0.00017 -0.00001 0.00019 0.00013 0.06617 -0.05160 0.11683 -0.00816 0.01478 0.00678 -0.00940 -0.03066 -0.01170 0.01157 0.00449 0.01738 -0.03863 -0.00961 -0.04955 -0.02082 -0.00541 0.10388 -0.01429 -0.03933 0.01355 -0.01569 0.02956 0.03840 -0.05314 -0.02201 0.00033 0.11073 0.00555 -0.04200 -0.01106 0.02137 -0.03699 0.04386 0.00150 -0.00276 0.00678 -0.00057 -0.03319 0.00246 -0.19163 -0.16461 0.16660 0.00476 0.00166 0.00301 -0.00077 -0.00971 0.00468 0.01117 0.00820 0.07141 0.16241 -0.02783 -0.00925 -0.00433 0.00453 0.03446 -0.00938 -0.03979 -0.07455 0.01384 -0.00524 0.05707 -0.00991 -0.00370 -0.00492 0.03723 0.00807 -0.04414 0.06931 0.00789 0.05532 0.05492 0.00013 -0.00004 -0.00010 0.00144 0.00009 -0.00213 0.00007 0.00007 -0.00039 0.00195 0.00002 -0.00005 -0.00007 0.00089 0.00023 -0.00171 -0.00005 0.00072 -0.00000 -0.00001 -0.00000 -0.00008 0.00051 0.00020 -0.00064 -0.00044 -0.00057 -0.00019 -0.00045 -0.00002 0.00003 -0.00003 0.00023 0.00021 -0.00020 -0.00012 -0.00025 0.00033 0.00057 0.00092 0.00009 -0.00007 0.00003 0.00119 -0.00023 -0.00214 0.00012 -0.00052 0.00053 0.00056 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 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 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 7 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 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 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 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 15 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 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 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 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|7 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|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 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 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|15 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 1.10435 0.88491 0.17260 0.22936 0.23705 0.74218 0.44019 0.54625 0.56115 0.50481 0.12353 0.32078 0.34414 0.13629 0.00075 0.00180 0.00501 0.01168 0.00683 0.00946 0.01386 0.01418 1.10447 0.88479 0.23310 0.19729 0.19376 0.75471 0.52337 0.48214 0.47942 0.38027 0.05692 0.13820 0.12412 0.07949 -0.04446 0.03704 0.03235 0.03182 0.03831 0.02647 0.03519 0.03482 1.10462 0.88450 0.24370 0.19623 0.18143 0.78106 0.55272 0.47453 0.44828 0.53700 0.14463 0.20239 0.19685 0.39965 -0.24431 0.07314 0.04303 0.01546 0.01116 0.01543 0.02216 0.01086 1.09536 0.89599 0.25794 0.26818 0.26605 0.86877 0.59862 0.61369 0.61057 0.60844 0.30531 0.38777 0.39100 -0.31470 -0.02054 -0.02621 -0.00796 0.01146 0.01219 0.00633 0.01217 0.01194 1.09590 0.89545 0.20528 0.26951 0.26100 0.93354 0.49885 0.60983 0.59438 0.81725 0.11506 0.33028 0.32637 -0.02740 0.05301 0.04563 0.04397 0.00936 0.01597 0.00832 0.00787 0.01823 1.09534 0.89590 0.25489 0.26698 0.27366 0.86760 0.59383 0.61327 0.62587 0.60913 0.29472 0.36937 0.40986 -0.26622 0.17673 -0.00713 -0.00940 0.00845 0.01166 0.00485 0.01180 0.01128 1.13240 0.85521 0.17007 0.13872 0.14305 0.60836 0.39881 0.31047 0.30945 0.10947 0.11075 0.08474 0.09686 0.01510 0.00300 0.00595 0.00722 0.06263 0.04745 0.06176 0.03653 0.05177 0.26243 0.37792 -0.11255 -0.02110 0.01869 0.00783 0.01105 0.26916 0.46907 0.01780 -0.00887 0.00685 0.00964 0.00572 0.26854 0.46741 0.01726 0.00166 0.00300 0.00979 0.00948 0.26920 0.46903 0.01562 -0.01004 0.00386 0.00627 0.01208 0.26539 0.56648 0.29085 -0.00761 0.00719 0.00171 0.00245 1.07784 0.91687 0.41176 0.36052 0.40808 1.07289 0.81365 0.74191 0.80864 0.88487 0.63386 0.49396 0.62989 -0.10254 0.03135 0.02197 0.05599 0.00038 0.00006 0.00070 0.00104 0.00070 1.07784 0.91688 0.41440 0.41025 0.35578 1.07294 0.81720 0.81133 0.73603 0.88383 0.64081 0.63800 0.47811 -0.09526 0.03685 0.05366 0.02083 0.00163 0.00065 0.00059 0.00002 0.00002 1.07786 0.91679 0.39312 0.39939 0.38237 1.08613 0.78820 0.79750 0.77126 0.89498 0.54967 0.56189 0.52722 -0.02562 -0.01716 -0.00733 -0.00431 0.00118 0.00172 0.00150 0.00077 0.00132 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 C C C N N N B H H H H H F F F -0.411155 0.176403 -0.294511 0.147632 -0.127657 -0.112443 0.240211 0.455725 0.230619 0.222869 0.233989 -0.126447 -0.264402 -0.272363 -0.098470 -0.00000 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] alpha 34 35 36 37 38 39 40 41 42 43 O O O O O V V V V V -0.446955 -0.430269 -0.429930 -0.381340 -0.356819 -0.005293 0.031834 0.047216 0.062343 0.066739 2.527931 3.233493 2.723301 1.914182 1.903523 2.145687 0.176710 0.253308 0.199316 0.484664 6.041317204624D+02 7.7844 7.6030 -4.8211 11.9015 -68.4428 -84.5190 -65.4919 -23.4615 15.5939 12.4840 4.3751 -11.7011 7.3260 -23.4615 15.5939 12.4840 251.2378 334.9296 -115.9467 141.5019 149.5050 -80.2325 88.3401 101.8605 -61.9794 -31.9913 -1505.4454 -1560.0031 -494.9414 -683.4933 331.2664 -736.2118 342.7600 265.2809 311.6005 -634.9772 -367.3437 -325.9516 180.3334 143.0530 -219.3774 0 -606.005483 6.421E-9 5.19E-6 3.2527937,-8.6994989,5.4467053,-17.4430547,11.5937173,9.2815287 C01 [X(C3H5B1F3N3)] 3.062616 2.9912494 -1.8967831 0.000000265 -0.000001532 -0.000002023 0.000001537 0.000002600 -0.000003851 0.000003629 0.000008011 0.000007241 0.000001096 -0.000002253 -0.000002783 -0.000000243 -0.000006230 -0.000006476 0.000001905 -0.000010716 -0.000004665 -0.000003579 0.000007604 0.000008610 0.000000588 -0.000007407 -0.000006307 0.000000547 -0.000000994 0.000004121 0.000000526 -0.000003840 -0.000005756 -0.000002955 0.000005585 -0.000003028 0.000001577 -0.000001388 -0.000003069 0.000000437 -0.000002525 0.000014013 -0.000003547 0.000004258 -0.000005925 -0.000001782 0.000008828 0.000009897 145.85840960000002 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5987,.0264,-.0359;-.3181,-1.4023,.7805;-1.6598,-1.5023,.5058;.2136,-.4273,.0089;-.7022,.1175,-.7547;-1.7902,-.5389,-.4351;-2.9219,-2.434,1.0221;-2.655,-.2948,-.9015;2.2398,-.8118,-.3035;1.6592,.8061,-.7903;1.8782,.4196,.94;-3.9328,-2.0298,.4596;-2.6248,-3.7779,.6761;-3.0054,-2.2988,2.4313;.4406,-2.0632,1.6107; Gaussian 16 GINC-IRENE3528 ZOUBRITL MeQFBF2-H2 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 0 145.85840960000002 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5987,.0264,-.0359;-.3181,-1.4023,.7805;-1.6598,-1.5023,.5058;.2136,-.4273,.0089;-.7022,.1175,-.7547;-1.7902,-.5389,-.4351;-2.9219,-2.434,1.0221;-2.655,-.2948,-.9015;2.2398,-.8118,-.3035;1.6592,.8061,-.7903;1.8782,.4196,.94;-3.9328,-2.0298,.4596;-2.6248,-3.778,.6761;-3.0054,-2.2988,2.4313;.4406,-2.0632,1.6107; MeQFBF2-H2 Redundant internal coordinates found in file. (old form). Charge = 0 Multiplicity = 1 Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 1 1 1 1 2 2 2 3 3 4 5 6 7 7 7 4 9 10 11 3 4 15 6 7 5 6 8 12 13 14 1.4582 1.0886 1.0866 1.0887 1.3732 1.3523 1.3045 1.3529 1.6515 1.311 1.3102 1.0124 1.2255 1.4192 1.4181 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 4 4 4 9 9 10 3 3 4 2 2 6 1 1 2 4 3 3 5 3 3 3 12 12 13 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 6 6 6 7 7 7 7 7 7 9 10 11 10 11 11 4 15 15 6 7 7 2 5 5 6 5 8 8 12 13 14 13 14 14 109.1134 107.3094 109.1863 110.4339 110.3129 110.4174 108.8158 131.2066 119.9775 100.4539 136.4833 123.0614 127.9808 121.086 110.9331 103.2865 116.5107 125.0573 118.4321 107.504 107.3393 107.5713 111.9139 112.0895 110.1742 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 9 9 10 10 11 11 4 4 15 15 3 3 15 15 2 2 7 7 2 2 2 6 6 6 1 2 4 4 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 5 5 4 4 4 4 4 4 3 3 3 3 4 4 4 4 6 6 6 6 7 7 7 7 7 7 5 5 6 6 2 5 2 5 2 5 6 7 6 7 1 5 1 5 5 8 5 8 12 13 14 12 13 14 6 6 3 8 58.8902 -121.2013 178.5614 -1.5301 -61.7466 118.1619 -0.053 179.5044 179.9675 -0.4752 179.949 0.0329 -0.0687 -179.9849 0.0613 -179.9684 -179.575 0.3953 176.8904 -62.5504 55.9945 -3.629 116.9302 -124.525 -179.9181 0.0047 -0.0436 179.9841 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00023 0.00068 0.00555 0.01101 0.01823 0.02524 0.04411 0.05529 0.05639 0.05959 0.05981 0.06196 0.10530 0.11930 0.12648 0.13569 0.13802 0.14987 0.15548 0.18149 0.18557 0.19941 0.20475 0.24234 0.26139 0.26255 0.27708 0.32850 0.34220 0.35087 0.35626 0.36093 0.38091 0.40550 0.46976 0.48111 0.49554 0.53984 0.59677 Angle between quadratic step and forces= 75.94 degrees. 1 2 0.00033860 0.00000009 0.00000008 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 2.75554 2.05722 2.05339 2.05728 2.59494 2.55551 2.46512 2.55664 3.12092 2.47739 2.47595 1.91323 2.31577 2.68188 2.67986 1.90439 1.87290 1.90566 1.92744 1.92532 1.92715 1.89919 2.28999 2.09400 1.75325 2.38208 2.14783 2.23369 2.11335 1.93615 1.80269 2.03349 2.18266 2.06703 1.87630 1.87342 1.87747 1.95327 1.95633 1.92290 1.02783 -2.11536 3.11648 -0.02671 -1.07768 2.06231 -0.00092 3.13294 3.14102 -0.00829 3.14070 0.00057 -0.00120 -3.14133 0.00107 -3.14104 -3.13417 0.00690 3.08732 -1.09171 0.97729 -0.06334 2.04082 -2.17337 -3.14016 0.00008 -0.00076 3.14131 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00003 0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00006 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00017 -0.00017 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00003 0.00002 -0.00010 0.00000 0.00011 -0.00000 0.00002 -0.00002 0.00021 0.00021 0.00021 0.00022 0.00020 0.00020 0.00002 -0.00028 -0.00003 -0.00034 -0.00001 -0.00001 0.00004 0.00003 -0.00003 0.00000 0.00022 0.00025 0.00083 0.00077 0.00080 0.00047 0.00041 0.00044 -0.00001 -0.00001 0.00002 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00003 0.00000 -0.00001 0.00000 0.00002 0.00001 -0.00006 0.00001 -0.00000 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00017 -0.00017 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00003 0.00002 -0.00010 0.00000 0.00011 -0.00000 0.00002 -0.00002 0.00021 0.00021 0.00021 0.00022 0.00020 0.00020 0.00002 -0.00028 -0.00003 -0.00034 -0.00001 -0.00001 0.00004 0.00003 -0.00003 0.00000 0.00022 0.00025 0.00083 0.00077 0.00080 0.00047 0.00041 0.00044 -0.00001 -0.00001 0.00002 -0.00001 2.75553 2.05722 2.05339 2.05728 2.59494 2.55551 2.46512 2.55664 3.12095 2.47739 2.47594 1.91324 2.31579 2.68188 2.67980 1.90439 1.87290 1.90565 1.92744 1.92533 1.92714 1.89920 2.28999 2.09400 1.75325 2.38226 2.14766 2.23369 2.11335 1.93615 1.80269 2.03350 2.18263 2.06705 1.87620 1.87342 1.87759 1.95326 1.95635 1.92288 1.02803 -2.11515 3.11670 -0.02649 -1.07748 2.06252 -0.00090 3.13266 3.14100 -0.00863 3.14069 0.00056 -0.00116 -3.14130 0.00104 -3.14104 -3.13395 0.00715 3.08815 -1.09094 0.97809 -0.06287 2.04123 -2.17293 -3.14017 0.00008 -0.00074 3.14131 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000010 0.000003 0.001473 0.000339 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.714975e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 1 1 1 1 2 2 2 3 3 4 5 6 7 7 7 4 9 10 11 3 4 15 6 7 5 6 8 12 13 14 1.4582 1.0886 1.0866 1.0887 1.3732 1.3523 1.3045 1.3529 1.6515 1.311 1.3102 1.0124 1.2255 1.4192 1.4181 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 4 4 4 9 9 10 3 3 4 2 2 6 1 1 2 4 3 3 5 3 3 3 12 12 13 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 6 6 6 7 7 7 7 7 7 9 10 11 10 11 11 4 15 15 6 7 7 2 5 5 6 5 8 8 12 13 14 13 14 14 109.1134 107.3094 109.1863 110.4339 110.3129 110.4174 108.8158 131.2066 119.9775 100.4539 136.4833 123.0614 127.9808 121.086 110.9331 103.2865 116.5107 125.0573 118.4321 107.504 107.3393 107.5713 111.9139 112.0895 110.1742 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 9 9 10 10 11 11 4 4 15 15 3 3 15 15 2 2 7 7 2 2 2 6 6 6 1 2 4 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 5 4 4 4 4 4 4 3 3 3 3 4 4 4 4 6 6 6 6 7 7 7 7 7 7 5 5 6 2 5 2 5 2 5 6 7 6 7 1 5 1 5 5 8 5 8 12 13 14 12 13 14 6 6 3 58.8902 -121.2013 178.5614 -1.5301 -61.7466 118.1619 -0.053 179.5044 179.9675 -0.4752 179.949 0.0329 -0.0687 -179.9849 0.0613 -179.9684 -179.575 0.3953 176.8904 -62.5504 55.9945 -3.629 116.9302 -124.525 -179.9181 0.0047 -0.0436 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2.526268 0.000000 3.639811 1.373183 0.000000 1.458167 1.352318 2.216359 0.000000 2.412249 2.194134 2.264843 1.310976 0.000000 3.458791 2.095278 1.352917 2.055439 1.310216 0.000000 5.254397 2.811106 1.651522 3.858089 3.820244 2.644954 0.000000 4.352699 3.084942 2.104512 3.012537 2.001212 1.012440 2.889310 0.000000 1.088632 2.840248 4.042168 2.085888 3.118126 4.041377 5.570666 4.958247 0.000000 1.086608 3.354783 4.245525 2.061508 2.460004 3.719319 5.896583 4.453796 1.786564 0.000000 1.088668 2.858063 4.049641 2.086829 3.101861 4.033172 5.584837 4.944793 1.786943 1.786414 0.000000 5.922039 3.682717 2.333818 4.468076 4.064724 2.759356 1.225454 2.548688 6.337761 6.393340 6.324344 0.000000 5.728640 3.312842 2.477635 4.441640 4.573597 3.524575 1.419187 3.823931 5.781180 6.443313 6.161582 2.194077 0.000000 5.717662 3.278759 2.480460 4.442141 4.614525 3.576383 1.418118 3.904714 6.099425 6.463581 5.784734 2.195414 2.326657 0.000000 2.901535 1.304483 2.438735 2.300721 3.414168 3.389006 3.433732 4.361366 2.909854 3.934814 2.946275 4.522492 3.634606 3.550238 0.000000 2.4943487 0.8608521 0.7387718 1 -606.005482997 Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 IDoAtm=111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 2.3741, EpsInf= 2.2383) Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Keep R1 ints in memory in canonical form, NReq=1143767283. There are 48 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 45 vectors produced by pass 0 Test12= 1.72D-14 2.08D-09 XBig12= 3.18D+01 2.84D+00. AX will form 45 AO Fock derivatives at one time. 45 vectors produced by pass 1 Test12= 1.72D-14 2.08D-09 XBig12= 5.36D+00 5.27D-01. 45 vectors produced by pass 2 Test12= 1.72D-14 2.08D-09 XBig12= 1.15D-01 5.93D-02. 45 vectors produced by pass 3 Test12= 1.72D-14 2.08D-09 XBig12= 1.21D-03 5.28D-03. 45 vectors produced by pass 4 Test12= 1.72D-14 2.08D-09 XBig12= 1.37D-05 3.48D-04. 45 vectors produced by pass 5 Test12= 1.72D-14 2.08D-09 XBig12= 9.33D-08 3.50D-05. 44 vectors produced by pass 6 Test12= 1.72D-14 2.08D-09 XBig12= 5.79D-10 3.91D-06. 19 vectors produced by pass 7 Test12= 1.72D-14 2.08D-09 XBig12= 3.39D-12 3.69D-07. 3 vectors produced by pass 8 Test12= 1.72D-14 2.08D-09 XBig12= 2.04D-14 3.02D-08. 1 vectors produced by pass 9 Test12= 1.72D-14 2.08D-09 XBig12= 1.18D-16 2.21D-09. InvSVY: IOpt=1 It= 1 EMax= 4.44D-15 Solved reduced A of dimension 337 with 48 vectors. Isotropic polarizability for W= 0.000000 77.43 Bohr**3. End of Minotr F.D. properties file 721 does not exist. alpha 34 35 36 37 38 39 40 41 42 43 O O O O O V V V V V -0.446955 -0.430269 -0.429930 -0.381340 -0.356819 -0.005293 0.031834 0.047216 0.062343 0.066739 2.527932 3.233493 2.723301 1.914182 1.903523 2.145687 0.176710 0.253308 0.199316 0.484665 6.041317212766D+02 PT13885.800S Fri Mar 5 12:05:43 2021 -14.56679 -10.45713 -10.37216 -10.35159 -6.87654 -1.41397 -1.30259 -1.24222 -1.21422 -1.11068 -0.98309 -0.91564 -0.81862 -0.77557 -0.73608 -0.67262 -0.65475 -0.63085 -0.62122 -0.60550 -0.57284 -0.56714 -0.55284 -0.53037 -0.52838 -0.51344 -0.48359 -0.45478 -0.44695 -0.43027 -0.42993 -0.38134 -0.35682 -0.00529 0.03183 0.04722 0.06234 0.06674 0.07364 0.07933 0.09030 0.09864 0.10146 0.11115 0.11497 0.12782 0.13663 0.13917 0.15181 0.15437 0.16195 0.16606 0.18034 0.18353 0.18723 0.19935 0.20580 0.21842 0.22719 0.23847 0.23869 0.24643 0.25665 0.26339 0.26985 0.27540 0.28463 0.29266 0.30369 0.30694 0.31592 0.32566 0.33468 0.34243 0.35854 0.36780 0.37351 0.38200 0.38725 0.39044 0.39813 0.42175 0.42817 0.43448 0.43652 0.45427 0.46090 0.46808 0.47990 0.49764 0.50598 0.51503 0.53847 0.54147 0.54931 0.57299 0.57932 0.62258 0.63865 0.65016 0.66694 0.67142 0.68072 0.68535 0.69318 0.71555 0.72185 0.75215 0.76366 0.81927 0.83030 0.83609 0.83962 0.87025 0.87584 0.88992 0.91072 0.93806 0.96170 0.98447 1.00109 1.04381 1.05865 1.08043 1.11214 1.13156 1.20446 1.21666 1.27999 1.28350 1.31589 1.33189 1.34701 1.36971 1.38732 1.39959 1.41991 1.46749 1.48029 1.49430 1.49877 1.50501 1.51794 1.53002 1.53374 1.56072 1.56591 1.57712 1.59568 1.61915 1.63838 1.66802 1.68663 1.71873 1.79227 1.80443 1.83549 1.86483 1.88588 1.89083 1.92023 1.93780 2.00011 2.01477 2.02317 2.07445 2.12238 2.13026 2.15674 2.16570 2.17253 2.18158 2.27248 2.32350 2.32894 2.34070 2.39489 2.40074 2.50977 2.54267 2.55806 2.57636 2.60838 2.63441 2.66016 2.71214 2.72485 2.74705 2.77375 2.79869 2.84310 2.85292 2.93406 2.94004 3.00035 3.05007 3.05935 3.09160 3.19588 3.28672 3.36096 3.50557 3.59689 3.72610 3.73186 3.77695 3.81498 3.82520 3.88327 3.91485 3.93285 3.94557 3.96722 3.99114 3.99979 4.04908 4.06915 4.08148 4.15082 4.16520 4.20574 4.20661 4.30241 4.35057 4.58101 4.73618 4.76482 4.94994 5.00789 5.09791 5.67725 6.37493 6.47481 6.49546 6.53145 6.53497 6.57162 6.60988 6.68948 6.87217 14.75149 23.75729 24.02280 24.18543 35.49248 35.61303 35.69755 66.90110 67.00289 67.04516 34 35 36 37 38 39 40 41 42 43 O|O|O|O|O|V|V|V|V|V -0.44695 -0.43027 -0.42993 -0.38134 -0.35682 -0.00529 0.03183 0.04722 0.06234 0.06674 0.00004 -0.00008 0.00077 0.00002 0.00141 0.00005 -0.02555 0.01075 0.00121 -0.00008 0.00007 -0.00013 0.00127 0.00003 0.00228 0.00009 -0.04146 0.01790 0.00142 -0.00012 0.01198 0.00247 0.00041 0.00001 0.01035 -0.00026 0.01743 0.00500 0.00732 -0.01116 -0.04042 -0.00691 -0.00831 0.00108 0.00794 0.00145 0.00416 0.01031 -0.02517 0.03766 -0.04290 -0.00973 0.00818 0.00043 -0.00439 0.00085 0.00128 -0.00798 0.02972 0.03654 -0.00024 0.00019 -0.00291 -0.00021 -0.00646 -0.00034 0.11052 -0.06139 0.01180 -0.00013 0.01755 0.00349 0.00123 0.00018 0.01590 0.00227 0.03363 0.00824 0.00180 -0.02393 -0.05897 -0.00966 -0.01254 0.00104 0.01169 -0.00644 0.00816 0.02223 -0.05183 0.08265 -0.06268 -0.01387 0.01257 0.00008 -0.00626 -0.00787 0.00235 -0.01785 0.05731 0.08056 -0.00015 0.00311 -0.01860 0.00191 -0.01068 -0.00041 0.74190 -0.12215 -0.23365 0.00658 0.01569 0.00312 0.00543 -0.00491 0.01696 -0.00264 -0.17056 0.05268 0.12998 -0.00945 -0.05342 -0.01190 -0.01067 0.01543 0.01114 0.00893 -0.04856 0.01498 0.02209 0.01223 -0.05677 -0.01610 0.01177 0.01467 -0.00629 0.00434 -0.00103 0.00168 0.01862 0.01131 0.00404 -0.00106 -0.01444 0.00069 -0.01702 -0.01126 7.45844 -1.72815 -2.92570 0.17170 -0.00524 0.00134 0.00159 -0.00236 0.01186 -0.01444 -0.18721 0.06944 0.75872 -0.33779 0.01224 -0.00208 -0.00733 0.00827 -0.00119 0.05557 -0.05196 0.37383 -1.29174 1.01895 0.01532 -0.00561 0.00583 0.00619 0.00311 0.04059 0.00521 -0.34425 1.61043 0.97742 -0.00574 -0.00095 0.00007 -0.00183 0.00067 -0.00013 -0.00306 -0.00132 -0.00321 -0.00366 -0.00998 -0.00230 0.00038 -0.00026 -0.00098 0.01858 0.00047 0.00155 -0.00094 -0.00493 -0.00341 -0.00092 0.00106 -0.00004 -0.00088 0.00591 -0.00244 0.00033 -0.00400 -0.00124 0.00274 0.00073 0.00015 -0.00081 -0.00151 -0.01032 0.00429 0.00277 0.00354 0.00069 -0.01057 -0.00215 -0.00068 -0.00078 0.00067 0.01597 0.00302 -0.00038 0.00429 -0.00583 -0.00005 0.00113 -0.00759 0.00028 0.01051 -0.00002 -0.00214 -0.00864 0.00481 -0.00022 -0.00008 0.00187 -0.01255 0.00047 0.01692 -0.00004 -0.00408 -0.01460 0.00821 -0.00035 -0.00991 -0.00242 -0.01524 0.03119 0.03564 -0.01761 -0.00831 0.00085 -0.02164 0.01443 0.03535 0.01656 0.00513 -0.10333 0.00659 0.06010 0.01160 -0.01073 0.00440 -0.04463 0.03699 0.01913 -0.00766 -0.10982 0.00866 0.06386 -0.01311 0.00789 -0.01223 -0.04661 0.00011 -0.00607 0.04026 -0.00139 -0.04799 0.00025 0.03141 0.05583 -0.02692 0.00007 -0.01624 -0.00460 -0.02085 0.05153 0.04704 -0.02798 -0.01708 0.01930 -0.05137 0.02337 0.05802 0.02749 0.01032 -0.17192 0.00718 0.09590 0.01847 -0.01025 0.00637 -0.07059 0.06043 0.03207 -0.01337 -0.18265 0.01431 0.10197 -0.02213 0.01102 -0.02453 -0.07304 0.00090 -0.00620 0.04410 -0.00341 -0.13161 -0.00194 -0.12538 -0.00070 0.20633 0.00259 -0.01200 -0.00308 0.00069 0.04363 0.09079 -0.04629 0.11591 -0.04717 -0.13416 0.04944 0.03269 0.01470 0.01697 -0.14269 -0.00196 0.15067 -0.02664 -0.10631 0.04972 -0.15350 0.03632 0.01864 -0.01359 -0.15048 0.03496 0.15997 0.05818 0.07958 -0.08724 -0.16500 0.04058 -0.09736 0.30210 0.01845 0.85713 0.07319 -0.62901 -0.69842 20.82271 -0.42095 -0.01575 0.02850 -0.05280 -0.00082 -0.14112 -0.02185 0.38367 0.25858 -5.76407 0.10394 -0.00064 -0.01093 -0.00538 -0.00227 0.00686 0.03152 0.14214 -0.34730 0.16542 0.01832 0.00615 -0.01938 -0.01372 -0.00683 -0.04597 0.03660 -0.01763 0.43548 -1.75103 0.04883 -0.01475 -0.00549 0.00149 0.02038 -0.00258 0.01141 0.00032 -0.00097 -0.00182 0.00315 0.00648 -0.00060 0.00783 0.01210 -0.00965 -0.02178 0.00422 -0.01104 0.00764 -0.01273 0.00220 0.00018 0.00022 0.00309 -0.00054 -0.00653 -0.00722 0.00700 -0.01463 -0.00301 -0.01072 -0.00324 0.00184 0.00314 -0.00179 0.01751 0.00047 -0.00280 0.00489 0.00804 0.00108 -0.00006 -0.00832 0.01718 0.00959 -0.01538 -0.00232 0.00835 -0.00217 -0.00973 0.00032 -0.00327 0.02394 -0.00083 -0.02845 -0.00003 -0.00369 0.00385 -0.00750 0.00043 0.00052 -0.00528 0.03863 -0.00134 -0.04623 -0.00004 -0.00615 0.00692 -0.01247 0.00073 0.00460 -0.01224 0.07010 0.02570 -0.08090 -0.01553 0.00223 0.00025 0.01089 -0.01981 -0.01250 -0.00102 0.06571 -0.09780 -0.05541 0.05283 0.00241 -0.00435 0.00328 0.06522 -0.01525 0.01370 -0.04086 -0.10129 0.03404 0.05609 -0.00110 0.00622 0.00536 0.06914 -0.00127 0.01490 -0.10802 0.00381 0.12979 -0.00022 0.01953 -0.04020 0.04870 -0.00289 0.00833 -0.01790 0.10142 0.04292 -0.12304 -0.02397 0.01368 0.00894 0.01833 -0.03179 -0.02388 -0.00148 0.09789 -0.16112 -0.08153 0.08203 0.00552 -0.01188 0.00131 0.10357 -0.02843 0.02047 -0.06176 -0.16772 0.04968 0.08686 -0.00045 0.01659 0.01253 0.10964 -0.00386 0.01538 -0.11937 0.00718 0.29686 0.00429 0.23155 0.25054 -0.11849 -0.00014 -0.00189 -0.01082 0.05831 0.03741 -0.04212 -0.04427 0.03865 -0.01681 -0.10345 -0.05751 0.00050 0.01008 0.04737 -0.13907 -0.06741 0.13775 0.04936 0.12419 -0.01909 0.19732 0.00131 0.02239 -0.02600 -0.13948 0.05795 0.14989 -0.03448 -0.11239 0.00505 0.21153 -0.04903 0.06941 -0.12341 -0.01958 -0.58590 -0.06884 2.10091 4.85300 -15.37894 0.13606 -0.01903 0.03514 -0.14802 -0.00325 -0.38943 -0.06254 -0.76120 -1.06727 -7.76638 0.20559 0.01497 0.02643 -0.03432 -0.01359 -0.04863 0.11968 -0.46154 0.62564 -1.78569 0.09683 0.00466 0.04959 -0.00073 -0.00967 -0.05744 0.10973 0.21420 -0.90898 -0.46108 -0.00531 0.01532 0.00339 0.00143 0.00530 0.00535 0.02250 -0.00337 -0.00080 -0.00276 -0.00107 0.00283 0.00216 -0.00274 -0.01680 0.00040 0.01087 0.00056 0.00737 -0.00128 -0.00498 0.00003 0.00123 -0.00659 -0.00512 -0.00120 0.00268 -0.00162 -0.00375 -0.00228 -0.00117 0.00588 0.00136 -0.00470 0.01181 -0.00924 0.00510 0.00499 0.00453 0.00323 0.00173 0.00702 0.00215 0.00309 -0.01306 -0.00416 0.01625 0.00308 -0.00504 0.00404 -0.00480 0.00018 -0.00094 0.00693 -0.00017 -0.00619 -0.00007 -0.00002 -0.00321 -0.00947 0.00053 0.00029 -0.00155 0.01139 -0.00028 -0.01019 -0.00012 -0.00021 -0.00553 -0.01598 0.00090 -0.02503 -0.00768 0.01259 0.00073 -0.01344 0.03210 -0.01256 0.00993 0.00417 -0.00431 0.08567 0.01953 0.00219 -0.00426 -0.01434 -0.10962 -0.00733 0.00463 -0.00320 0.01350 0.09179 0.02140 0.00122 -0.00377 0.00867 -0.11677 0.00307 -0.00036 0.00409 0.01372 -0.00102 0.00520 -0.03766 0.00090 0.03320 0.00028 0.00656 0.02363 0.05849 -0.00331 -0.03899 -0.01212 0.02111 0.00061 -0.02167 0.04916 -0.01452 0.01430 0.00268 -0.00652 0.13381 0.03048 0.00197 -0.00452 -0.02206 -0.16812 -0.01171 0.00909 0.00012 0.02067 0.14318 0.03293 0.00369 -0.00379 0.01296 -0.17913 0.00651 -0.00285 0.00053 0.02144 -0.00044 0.00518 -0.04627 0.00120 0.05612 0.00169 -0.03408 0.00004 0.11057 -0.00694 -0.03866 -0.01135 0.01684 0.00251 -0.01802 0.07028 -0.13945 0.05896 0.07241 -0.01322 0.13142 0.03078 0.01242 -0.01429 -0.02162 -0.23959 -0.04818 -0.00465 -0.04145 0.04002 0.14207 0.03553 -0.00752 -0.01319 0.01364 -0.25409 0.00574 0.02441 0.05944 0.03707 -0.00064 -0.01459 0.03907 0.00114 0.13792 0.00636 -1.71423 1.80030 -0.02615 -0.01313 0.00341 -0.00997 0.02536 -0.00631 -0.05806 0.05042 -1.50886 -0.91862 1.24564 -0.01219 -0.00065 -0.00297 0.05775 0.00527 0.03144 -0.18534 -0.78437 -0.46176 0.93509 -0.03660 0.00110 0.01467 -0.04733 0.00571 -0.04635 -0.19368 0.32196 0.17319 -0.56390 -0.05210 0.00196 0.00251 0.00164 -0.02292 0.00173 -0.01189 -0.00264 0.00415 -0.00342 -0.01149 -0.00626 -0.00085 -0.00222 0.00039 0.00189 -0.01113 -0.00030 -0.00002 0.00165 0.00479 -0.00198 -0.00001 -0.00308 0.00067 0.00035 -0.00288 -0.00431 -0.00306 -0.00013 0.00180 0.00423 0.00243 -0.00385 -0.01146 -0.00041 0.00016 0.00283 -0.00710 0.00478 -0.00870 -0.00478 -0.00037 0.00120 -0.00675 -0.00261 -0.01310 0.00365 -0.00324 0.00158 0.00071 -0.00030 0.00095 -0.00756 0.00000 -0.00012 0.00004 -0.00798 -0.00458 0.00265 0.00011 -0.00049 0.00153 -0.01225 0.00001 -0.00030 0.00007 -0.01317 -0.00777 0.00429 0.00020 0.00088 -0.00006 0.02908 -0.03252 -0.00913 -0.03940 -0.00001 0.00865 -0.00259 -0.00605 0.00024 -0.01917 0.04926 0.10951 -0.01833 0.13470 0.01143 0.01149 0.00062 0.02112 -0.00209 -0.00843 -0.03997 0.11743 0.00975 0.14298 -0.01027 -0.00853 0.00196 0.02282 0.00134 -0.00388 0.03120 0.00009 0.00456 -0.00021 0.04151 0.02870 -0.01217 -0.00104 0.00138 0.00018 0.04390 -0.05063 -0.01460 -0.05931 -0.00270 0.01272 -0.00471 -0.00828 0.00001 -0.02975 0.07463 0.17069 -0.02902 0.20282 0.01752 0.02190 -0.00136 0.02774 -0.00353 -0.01352 -0.06076 0.18294 0.01548 0.21530 -0.01658 -0.01728 0.00491 0.03040 0.00191 -0.00408 0.04143 -0.00020 0.00412 -0.00061 0.09140 0.08612 0.00427 -0.00018 0.00207 -0.00106 0.04464 -0.05057 -0.01541 -0.08531 0.00833 0.02020 0.02701 -0.01647 0.00059 -0.02755 0.06356 0.17099 -0.02387 0.29223 0.01870 -0.02752 0.00223 0.06459 -0.00249 -0.01295 -0.04958 0.18290 0.01048 0.30998 -0.01378 0.03117 0.01208 0.06614 -0.00636 0.04475 -0.18986 -0.00536 -0.53599 -0.04078 -0.63568 -0.92291 -1.31747 0.00494 0.00021 0.00473 -0.01588 -0.00208 0.04724 -0.05224 0.77781 0.78594 -0.22466 -0.02836 0.00333 -0.00625 0.02943 0.00703 0.07391 0.21364 0.19877 0.17565 -0.04810 -0.10198 0.00170 0.00910 -0.03010 0.00629 -0.05636 0.21479 0.02142 0.05401 -0.00918 -0.11700 0.00537 -0.00042 -0.00012 0.01276 0.00020 0.00016 -0.00059 -0.00430 -0.00034 0.00295 0.01184 0.00347 0.00050 -0.00377 0.00045 0.00037 0.00265 0.00165 0.00262 0.00564 0.00345 0.00037 0.00498 -0.00145 -0.00104 0.00014 -0.00122 0.00366 -0.00435 0.00178 -0.00384 -0.00232 0.00113 0.00830 -0.00076 -0.00006 0.00196 0.00772 0.00112 -0.00182 0.01179 0.00311 -0.00147 0.00063 -0.00079 0.00033 -0.00138 0.00209 -0.00047 0.00581 -0.00014 0.00089 -0.00725 0.00008 0.00081 0.00004 0.00057 -0.01995 -0.00107 0.00013 -0.00022 0.00146 -0.01191 0.00014 0.00135 0.00006 0.00094 -0.03305 -0.00178 0.00021 0.02432 0.00933 -0.01905 -0.00129 -0.00395 0.03119 -0.01507 -0.03891 -0.00173 0.01005 -0.08580 -0.01942 -0.03513 0.00517 0.00991 -0.10715 0.00074 0.00946 0.00430 -0.03300 -0.08924 -0.02874 0.02752 0.00491 -0.00859 -0.11427 -0.00519 -0.02052 -0.00736 -0.03446 0.00060 -0.00456 0.03663 -0.00053 -0.00223 -0.00004 -0.00238 0.10837 0.00701 -0.00075 0.03791 0.01485 -0.03050 -0.00251 -0.00902 0.04768 -0.01919 -0.05768 0.00048 0.01432 -0.13393 -0.03066 -0.05454 0.00954 0.01688 -0.16394 0.00136 0.01933 0.00875 -0.04778 -0.13943 -0.04528 0.04252 0.00913 -0.01554 -0.17480 -0.00719 -0.03567 -0.01265 -0.04982 0.00230 -0.00586 0.05401 0.00143 -0.01401 -0.00168 0.00646 0.23884 0.02330 -0.00150 0.03798 0.00728 0.00931 -0.00072 -0.02266 0.06753 -0.05369 -0.14299 0.04453 0.02797 -0.12834 -0.03340 -0.02004 0.00168 0.00802 -0.22955 0.01180 0.03391 -0.02492 -0.09155 -0.13414 -0.03922 0.02104 0.00263 -0.01082 -0.24529 -0.02636 -0.07287 0.02983 -0.09982 0.00861 -0.01865 0.11125 0.00400 0.32053 0.03087 0.57949 -0.44148 0.97397 -0.07525 0.01283 -0.01846 0.09275 -0.00328 0.18353 0.07387 -0.29755 -0.87814 1.23198 -0.02341 -0.01504 -0.01906 0.01659 0.01438 0.07760 -0.18256 0.70019 1.21816 0.47331 -0.03913 -0.01560 -0.02328 0.00424 0.01496 -0.02481 -0.19939 -0.73640 -1.38642 -0.11264 0.05667 -0.00040 0.00146 0.00411 -0.01914 -0.00075 -0.00089 -0.00034 0.00118 0.00044 0.00971 -0.00140 -0.00264 0.00607 0.01035 -0.00669 0.01351 0.00038 -0.00577 0.00277 -0.00113 -0.00045 -0.00047 -0.00108 0.00355 0.00048 0.00398 -0.00404 -0.00062 -0.00529 -0.00026 0.00047 0.00231 -0.00270 -0.01516 -0.00135 -0.00795 -0.00001 -0.00443 0.00038 0.00530 -0.00150 0.00015 -0.00858 0.00351 0.00638 0.01142 0.00095 0.00389 -0.00102 0.00198 0.00018 -0.00196 0.01439 0.00000 0.01731 0.00005 -0.00179 -0.00540 -0.00394 0.00032 0.00026 -0.00284 0.02081 0.00001 0.02635 0.00009 -0.00278 -0.00836 -0.00609 0.00048 -0.00037 0.00166 0.00405 0.00121 0.11624 -0.00151 -0.00072 -0.02524 -0.00270 -0.00320 0.00062 -0.00045 -0.05698 0.00251 -0.01409 0.00402 0.00510 0.00175 0.01177 0.01067 0.00228 -0.01612 0.04654 0.00225 0.03714 0.00412 -0.00457 -0.00620 -0.00989 0.01284 -0.00059 0.00642 -0.04552 0.00022 -0.06282 0.00023 0.01347 0.01888 0.02702 -0.00172 -0.00075 0.00387 0.00228 0.00193 0.16269 -0.00280 -0.00134 -0.04265 -0.00679 -0.00351 0.00142 -0.00392 -0.08553 0.00302 -0.01397 0.00857 0.00802 0.01206 0.02165 0.01102 0.00397 -0.02789 0.06816 0.00281 0.04685 0.00941 -0.00697 -0.01807 -0.01920 0.01394 -0.00549 0.01522 -0.10647 -0.00948 -0.08768 -0.01906 0.14109 0.48229 0.30394 -0.02757 0.00464 -0.00067 -0.00663 -0.00663 0.03563 0.01180 -0.00768 0.07064 -0.02054 -0.01744 -0.02340 0.01727 -0.02960 0.00742 -0.03814 -0.07144 -0.02554 -0.21927 -0.17365 0.07850 -0.02796 0.01173 0.02488 -0.00025 0.03917 -0.09069 0.01146 0.20257 0.12962 0.07565 0.00415 0.01422 -0.09849 0.00205 -0.09258 0.01404 -1.57742 -2.83144 -4.65603 0.21377 0.00175 0.00024 -0.01312 0.00010 -0.02787 0.00171 -0.08081 0.33710 -0.69677 0.09579 -0.00790 0.00557 -0.00127 -0.00240 -0.02710 -0.01353 -0.24664 -0.63110 -0.84426 -0.04306 -0.00996 0.00362 -0.00020 -0.00305 0.01801 -0.01450 0.18831 0.62819 0.57709 -0.09121 0.00724 -0.04222 0.01847 0.00596 -0.00079 -0.00435 0.00007 -0.00151 -0.00041 -0.01188 0.02196 -0.00202 -0.00346 -0.00050 -0.03576 0.00376 0.00035 0.00245 0.00094 0.00625 0.00533 -0.00148 0.05418 -0.00118 0.00956 0.00205 -0.00115 0.00435 -0.00101 0.00383 -0.00597 -0.01703 -0.02091 0.00408 -0.01269 -0.00524 -0.00037 0.00368 0.00003 -0.01055 0.01875 -0.00824 -0.02477 0.00280 0.03513 0.00214 -0.00025 -0.00192 0.00003 0.00211 -0.00017 -0.00084 0.00588 -0.00028 -0.00563 -0.00007 0.00190 -0.01907 0.00523 -0.00012 -0.00010 -0.00244 0.01355 -0.00069 -0.02390 0.00005 0.01500 -0.07471 0.04206 -0.00262 0.00217 -0.00536 0.01775 -0.00005 -0.00054 0.00285 -0.37390 -0.85471 0.17829 0.01452 -0.00042 0.00119 0.00341 0.00036 -0.00013 0.00187 -0.63552 -2.75182 0.26555 0.01672 0.00199 0.00054 -0.00009 -0.00030 0.00212 0.00446 0.00113 0.01239 0.00578 0.00126 -0.00707 -0.00163 -0.00190 0.00110 0.00205 -0.01507 -0.00180 -0.00736 0.00006 -0.00522 -0.00737 -0.00235 0.00177 0.00109 -0.00129 -0.01597 0.00192 0.01024 0.00086 -0.00586 0.04966 0.00969 0.00359 -0.00025 -0.00121 -0.02720 -0.00090 -0.00052 -0.00024 -0.00408 0.07699 0.01506 0.00691 0.00550 -0.00079 -0.06641 -0.00660 -0.00689 -0.00451 0.04290 0.02947 0.00381 -0.00335 0.01560 0.00101 -0.05606 -0.31940 0.24330 -0.06686 -0.08378 0.03150 -0.00622 -0.00267 0.00821 -0.00463 -0.07825 -1.94072 1.02582 -1.02949 3.56283 -0.00306 -0.00051 -0.00035 -0.00059 0.00051 -0.00275 -0.00226 0.00455 -0.00100 0.00574 0.00284 0.00064 -0.00012 -0.00031 0.00043 -0.00164 0.00925 -0.00284 0.00449 -0.00767 -0.00076 -0.00017 0.00070 -0.00051 -0.00027 0.00048 0.00336 -0.00160 0.00425 -0.00025 0.00150 0.00174 -0.01002 0.00034 0.00786 -0.00102 -0.00005 0.00237 -0.00861 0.00011 0.00236 0.00206 -0.01130 0.00018 0.01429 -0.00326 -0.00744 0.00043 -0.00172 -0.00030 0.00069 0.00240 -0.01298 0.00008 0.00144 -0.00614 -0.29711 0.17787 0.04579 -0.00923 0.00158 -0.00143 0.01037 -0.00170 0.00356 -0.01707 -2.01521 -0.58774 4.92871 -0.12094 0.00068 0.00027 -0.00092 0.00008 0.00085 -0.00051 0.00154 0.00169 0.00354 -0.00119 -0.00254 -0.00056 0.00063 0.00007 -0.00049 0.00199 -0.00555 0.00080 0.00649 0.00336 -0.00244 -0.00036 -0.00088 0.00012 0.00075 0.00211 0.00602 -0.00026 -0.00511 0.00371 -0.05104 -0.01091 0.00341 0.00011 -0.00049 0.02814 -0.00086 -0.00069 0.00025 0.00436 -0.07929 -0.01726 0.00647 -0.00614 0.00072 0.06900 -0.00670 -0.00918 -0.00495 -0.04015 -0.03174 -0.00033 -0.00240 -0.01379 0.00292 0.06775 -0.31972 0.24777 -0.07772 0.07155 -0.03208 0.00653 0.00042 -0.00722 -0.00262 0.09919 -1.96764 0.97951 -1.36290 -3.54813 0.00227 0.00039 -0.00017 0.00079 0.00044 0.00285 0.00146 0.00286 0.00136 -0.00350 0.00018 0.00017 -0.00078 -0.00020 0.00043 0.00139 -0.00333 0.00261 -0.00419 -0.00117 0.00368 0.00077 0.00005 -0.00009 -0.00032 -0.00076 -0.00952 0.00381 -0.00518 -0.00869 -0.00076 0.00746 -0.05557 -0.00146 -0.15296 -0.00051 0.00185 0.01572 0.00701 -0.00124 -0.00112 0.00995 -0.07511 -0.00251 -0.24667 -0.00016 0.01046 0.03536 0.03413 -0.00226 -0.00106 0.01138 -0.07128 -0.00708 -0.24711 -0.00539 -0.13129 -0.04990 -0.27466 0.00633 -0.00382 0.00012 0.00245 -0.00150 -0.04785 -0.01623 0.51129 1.64932 0.13456 0.02568 -0.00042 0.00077 -0.00321 -0.00006 -0.00836 -0.00007 0.00103 0.00304 0.00263 -0.00016 0.00123 -0.00106 -0.00090 0.00005 0.00336 0.00060 0.00004 -0.00218 0.00022 0.00106 0.00148 -0.00133 -0.00020 -0.00008 -0.00454 0.00102 0.00028 0.00295 0.00042 0.00114 -0.00029 -0.00118 -0.00146 0.00115 -0.00177 -0.00241 -0.00133 0.00011 -0.00364 -0.00257 -0.00050 -0.00199 -0.00246 0.00195 -0.00297 -0.00401 -0.00215 0.00024 -0.00597 -0.00428 -0.15270 0.00202 0.03531 -0.04573 -0.13292 0.01095 0.00378 0.00623 0.00696 0.00335 -0.03742 0.00009 0.13899 -0.03593 0.00215 0.01131 -0.00110 -0.00193 -0.00444 0.01840 -0.02242 0.23574 -0.08544 0.03696 -0.03205 -0.00506 -0.00026 -0.00459 -0.00000 -0.00650 0.00178 0.00778 0.00917 -0.00728 0.01040 0.01325 0.00566 -0.00212 0.01751 0.01427 -0.22037 0.00327 0.05035 -0.06607 -0.19120 0.01612 0.00573 0.00789 0.01089 0.00489 -0.05337 -0.00053 0.20128 -0.05184 0.00399 0.01720 -0.00207 -0.00308 -0.00859 0.02736 -0.03232 0.33925 -0.12284 0.05320 -0.04591 -0.00779 -0.00029 -0.00671 0.00074 -0.00870 0.00302 -0.00729 -0.00149 0.00161 0.00975 0.02278 0.02794 0.01218 0.06411 0.01943 -0.19802 0.00437 0.05252 -0.06149 -0.18056 0.01520 0.00468 0.01419 0.00679 0.00650 -0.04865 -0.01314 0.16563 -0.04645 -0.00174 0.01475 0.00309 -0.00225 0.00903 0.02219 -0.02798 0.30790 -0.11307 0.05119 -0.04294 -0.00490 -0.00077 -0.00712 -0.00294 -0.01410 -0.02631 0.00577 -0.00987 -0.01382 -0.01337 -0.08199 -0.17688 -0.36058 -0.42905 0.08514 -0.03177 0.00293 0.00617 -0.01738 -0.03941 0.02305 0.00614 0.00227 0.02042 0.00117 -0.01433 -0.00010 0.02988 -0.01714 0.00076 -0.02578 -0.06873 -0.12628 -0.22213 0.07563 -0.00550 0.04716 -0.02842 0.00826 -0.01813 -0.01183 -0.00418 -0.06404 -0.01711 0.01397 0.00010 0.00115 -0.00261 0.00052 -0.00036 0.00020 -0.00012 -0.00035 -0.00032 0.00024 -0.00070 -0.00103 0.00047 -0.00063 -0.00095 0.00033 0.00011 -0.00005 0.00014 0.00023 -0.00078 0.00630 -0.00010 0.00058 0.00032 0.00025 -0.00015 -0.00025 -0.00029 0.00049 0.00180 0.00024 -0.00407 0.00131 -0.00061 -0.00032 -0.00022 0.00030 -0.00037 0.00029 -0.00425 0.00016 0.00008 -0.00064 -0.00051 -0.00030 0.00003 -0.00071 0.00004 -0.00035 0.00031 0.00152 -0.00109 -0.00100 -0.00169 0.00227 -0.00134 0.00052 -0.00355 0.00269 0.00052 0.00257 -0.00185 -0.00170 -0.00284 0.00378 -0.00218 0.00092 -0.00585 0.00446 0.15724 -0.06866 0.02500 0.03154 -0.13424 -0.00987 0.00318 0.00432 0.00494 -0.00537 0.02116 0.18510 0.17507 0.04971 0.00162 -0.01052 0.00087 0.00356 0.00028 -0.01066 -0.00415 0.06110 -0.09921 -0.01580 -0.02939 0.00683 0.00195 0.00470 0.00695 0.01383 -0.00176 -0.01000 0.00684 0.00644 0.00997 -0.01227 0.00594 -0.00416 0.01778 -0.01456 0.22680 -0.09899 0.03578 0.04562 -0.19288 -0.01454 0.00484 0.00528 0.00766 -0.00840 0.03043 0.26641 0.25201 0.07179 0.00235 -0.01584 0.00113 0.00514 -0.00040 -0.01457 -0.00533 0.08754 -0.14426 -0.02274 -0.04317 0.01076 0.00354 0.00695 0.01241 0.02044 -0.00405 0.00833 -0.00007 -0.00234 0.00939 -0.02415 0.02615 0.00610 0.05729 -0.02479 0.20365 -0.08904 0.03522 0.04177 -0.18312 -0.01415 0.00439 0.01024 0.00615 -0.00637 0.02847 0.24399 0.22888 0.06711 0.00055 -0.01283 0.00238 0.00554 0.00481 -0.02108 -0.00527 0.06282 -0.11684 -0.01976 -0.03569 0.00833 -0.00248 0.00724 -0.00542 0.01709 0.03351 -0.00827 -0.00681 0.02476 -0.01275 0.10651 -0.16227 -0.34953 -0.39315 -0.03175 0.03600 -0.01772 0.00142 0.01752 -0.04217 -0.00578 -0.00829 -0.03572 -0.03183 -0.01595 0.00563 0.03311 0.04599 0.01336 0.00919 -0.01024 -0.00721 0.04347 -0.01787 0.00611 -0.00904 0.01188 -0.02233 -0.01415 -0.00738 -0.04010 0.06630 0.13045 0.21177 0.04238 -0.00011 -0.00182 0.00382 0.00070 0.00093 -0.00032 0.00016 0.00017 0.00033 0.00007 -0.00468 0.00208 -0.00121 -0.00080 0.00021 0.00001 -0.00008 0.00084 -0.00012 -0.00017 -0.00065 -0.00548 -0.00346 -0.00118 0.00042 -0.00015 -0.00025 -0.00011 -0.00052 -0.00054 0.00048 -0.00041 0.00032 0.00009 -0.00042 0.00002 0.00001 0.00019 0.00007 -0.00019 0.00001 0.00045 0.00019 -0.00024 0.00071 0.00052 -0.00005 0.00013 0.00006 0.00036 0.00006 0.00004 -0.00030 0.00001 0.00000 -0.00003 -0.00684 0.00646 -0.01178 0.00071 0.00010 0.00007 -0.00049 0.00002 -0.00003 -0.00006 -0.01147 0.01090 -0.01984 0.00119 0.01078 0.00512 -0.00707 -0.02146 -0.00576 0.00757 0.00148 0.00978 -0.00588 -0.00801 -0.03664 -0.01531 -0.00266 0.07321 -0.00866 -0.02550 0.00597 -0.00789 0.00937 0.02731 -0.03899 -0.01615 -0.00101 0.07806 0.00341 -0.02719 -0.00526 0.01122 -0.00870 0.02990 -0.00032 -0.00029 0.00197 -0.00008 -0.00003 0.00022 0.03970 -0.03947 0.07009 -0.00408 0.01563 0.00736 -0.00985 -0.03086 -0.00863 0.01101 0.00109 0.01416 -0.00450 -0.01224 -0.05304 -0.02204 -0.00435 0.10542 -0.01120 -0.03701 0.00829 -0.01089 0.01242 0.04086 -0.05635 -0.02346 -0.00088 0.11233 0.00367 -0.03948 -0.00769 0.01572 -0.01014 0.04467 -0.00080 0.00035 -0.00017 -0.00001 0.00019 0.00013 0.06617 -0.05160 0.11683 -0.00816 0.01478 0.00678 -0.00940 -0.03066 -0.01170 0.01157 0.00449 0.01738 -0.03863 -0.00961 -0.04955 -0.02082 -0.00541 0.10388 -0.01429 -0.03933 0.01355 -0.01569 0.02956 0.03840 -0.05314 -0.02201 0.00033 0.11073 0.00555 -0.04200 -0.01106 0.02137 -0.03699 0.04386 0.00150 -0.00276 0.00678 -0.00057 -0.03319 0.00246 -0.19163 -0.16461 0.16660 0.00476 0.00166 0.00301 -0.00077 -0.00971 0.00468 0.01117 0.00820 0.07141 0.16241 -0.02783 -0.00925 -0.00433 0.00453 0.03446 -0.00938 -0.03979 -0.07455 0.01384 -0.00524 0.05707 -0.00991 -0.00370 -0.00492 0.03723 0.00807 -0.04414 0.06931 0.00789 0.05532 0.05492 0.00013 -0.00004 -0.00010 0.00144 0.00009 -0.00213 0.00007 0.00007 -0.00039 0.00195 0.00002 -0.00005 -0.00007 0.00089 0.00023 -0.00171 -0.00005 0.00072 -0.00000 -0.00001 -0.00000 -0.00008 0.00051 0.00020 -0.00064 -0.00044 -0.00057 -0.00019 -0.00045 -0.00002 0.00003 -0.00003 0.00023 0.00021 -0.00020 -0.00012 -0.00025 0.00033 0.00057 0.00092 0.00009 -0.00007 0.00003 0.00119 -0.00023 -0.00214 0.00012 -0.00052 0.00053 0.00056 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 C 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 4 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 5 N 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 6 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 7 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 8 H 1S 2S 3S 4S 5PX 5PY 5PZ 9 H 1S 2S 3S 4S 5PX 5PY 5PZ 10 H 1S 2S 3S 4S 5PX 5PY 5PZ 11 H 1S 2S 3S 4S 5PX 5PY 5PZ 12 H 1S 2S 3S 4S 5PX 5PY 5PZ 13 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 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 15 F 1S 2S 2PX 2PY 2PZ 3S 3PX 3PY 3PZ 4S 4PX 4PY 4PZ 5S 5PX 5PY 5PZ 6D 0 6D+1 6D-1 6D+2 6D-2 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 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 C 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|4 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|5 N 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2|6 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|7 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|8 H 1S|2S|3S|4S|5PX|5PY|5PZ|9 H 1S|2S|3S|4S|5PX|5PY|5PZ|10 H 1S|2S|3S|4S|5PX|5PY|5PZ|11 H 1S|2S|3S|4S|5PX|5PY|5PZ|12 H 1S|2S|3S|4S|5PX|5PY|5PZ|13 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 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|15 F 1S|2S|2PX|2PY|2PZ|3S|3PX|3PY|3PZ|4S|4PX|4PY|4PZ|5S|5PX|5PY|5PZ|6D 0|6D+1|6D-1|6D+2|6D-2 1.10435 0.88491 0.17260 0.22936 0.23705 0.74218 0.44019 0.54625 0.56115 0.50481 0.12353 0.32078 0.34414 0.13629 0.00075 0.00180 0.00501 0.01168 0.00683 0.00946 0.01386 0.01418 1.10447 0.88479 0.23310 0.19729 0.19376 0.75471 0.52337 0.48214 0.47942 0.38027 0.05692 0.13820 0.12412 0.07949 -0.04446 0.03704 0.03235 0.03182 0.03831 0.02647 0.03519 0.03482 1.10462 0.88450 0.24370 0.19623 0.18143 0.78106 0.55272 0.47453 0.44828 0.53700 0.14463 0.20239 0.19685 0.39965 -0.24431 0.07314 0.04303 0.01546 0.01116 0.01543 0.02216 0.01086 1.09536 0.89599 0.25794 0.26818 0.26605 0.86877 0.59862 0.61369 0.61057 0.60844 0.30531 0.38777 0.39100 -0.31470 -0.02054 -0.02621 -0.00796 0.01146 0.01219 0.00633 0.01217 0.01194 1.09590 0.89545 0.20528 0.26951 0.26100 0.93354 0.49885 0.60983 0.59438 0.81725 0.11506 0.33028 0.32637 -0.02740 0.05301 0.04563 0.04397 0.00936 0.01597 0.00832 0.00787 0.01823 1.09534 0.89590 0.25489 0.26698 0.27366 0.86760 0.59383 0.61327 0.62587 0.60913 0.29472 0.36937 0.40986 -0.26622 0.17673 -0.00713 -0.00940 0.00845 0.01166 0.00485 0.01180 0.01128 1.13240 0.85521 0.17007 0.13872 0.14305 0.60836 0.39881 0.31047 0.30945 0.10947 0.11075 0.08474 0.09686 0.01510 0.00300 0.00595 0.00722 0.06263 0.04745 0.06176 0.03653 0.05177 0.26243 0.37792 -0.11255 -0.02110 0.01869 0.00783 0.01105 0.26916 0.46907 0.01780 -0.00887 0.00685 0.00964 0.00572 0.26854 0.46741 0.01726 0.00166 0.00300 0.00979 0.00948 0.26920 0.46903 0.01562 -0.01004 0.00386 0.00627 0.01208 0.26539 0.56648 0.29085 -0.00761 0.00719 0.00171 0.00245 1.07784 0.91687 0.41176 0.36052 0.40808 1.07289 0.81365 0.74191 0.80864 0.88487 0.63386 0.49396 0.62989 -0.10254 0.03135 0.02197 0.05599 0.00038 0.00006 0.00070 0.00104 0.00070 1.07784 0.91688 0.41440 0.41025 0.35578 1.07294 0.81720 0.81133 0.73603 0.88383 0.64081 0.63800 0.47811 -0.09526 0.03685 0.05366 0.02083 0.00163 0.00065 0.00059 0.00002 0.00002 1.07786 0.91679 0.39312 0.39939 0.38237 1.08613 0.78820 0.79750 0.77126 0.89498 0.54967 0.56189 0.52722 -0.02562 -0.01716 -0.00733 -0.00431 0.00118 0.00172 0.00150 0.00077 0.00132 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 C C C N N N B H H H H H F F F -0.411155 0.176403 -0.294511 0.147632 -0.127657 -0.112443 0.240211 0.455725 0.230619 0.222869 0.233989 -0.126447 -0.264402 -0.272363 -0.098470 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 13 14 15 C C C N N N B F F F 0.276322 0.176403 -0.294511 0.147632 -0.127657 0.343282 0.113764 -0.264402 -0.272363 -0.098470 -0.00000 91.198 9.352 72.714 1.415 -14.860 68.364 82.505 3.432 73.009 4.376 -15.845 71.238 -15.2462 0.0007 0.0009 0.0011 5.9213 14.4798 21.4799 81.2435 103.1257 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 17.4695 81.0829 103.0093 104.4028 205.6180 272.6801 293.8979 333.5038 414.5200 482.1026 491.8950 647.0691 695.4977 716.9564 726.4338 803.3382 811.5093 945.6719 950.7485 1073.3611 1089.1281 1119.9581 1132.0690 1162.3613 1255.8111 1288.5731 1326.7904 1416.9850 1454.1663 1487.4298 1493.6285 1507.1111 1571.9973 1664.2246 2382.0593 3093.1396 3186.1950 3208.9601 3635.3241 11.3791 5.1279 1.2574 4.5709 4.7007 4.4616 8.8068 5.9143 10.9035 10.8866 4.3661 5.0997 10.3771 7.8134 8.6722 6.6446 1.1497 3.6311 5.1235 3.0491 2.0370 1.4328 1.5639 1.3290 1.8767 10.0823 8.3734 3.0426 1.5253 1.0339 2.3187 1.2230 3.9945 7.3178 1.0789 1.0317 1.1076 1.1071 1.0842 0.0020 0.0199 0.0079 0.0294 0.1171 0.1955 0.4482 0.3876 1.1038 1.4908 0.6224 1.2581 2.9575 2.3663 2.6963 2.5265 0.4461 1.9132 2.7286 2.0697 1.4237 1.0588 1.1809 1.0579 1.7438 9.8634 8.6847 3.5994 1.9004 1.3477 3.0478 1.6367 5.8158 11.9414 3.6070 5.8156 6.6249 6.7171 8.4418 0.0440 0.0285 1.1273 4.4761 1.4009 0.2036 21.1397 2.3293 4.3879 5.2601 19.2697 24.4145 0.0655 28.9406 2.4433 70.6071 101.0227 150.9411 129.7828 0.2125 102.4847 208.4527 213.2519 0.0527 171.0224 18.3033 20.9007 14.3526 6.5635 20.8711 33.3472 0.2191 66.0108 219.4972 387.4863 5.3217 0.5769 0.1175 186.4202 0.01 -0.03 -0.02 -0.03 0.09 0.10 -0.01 0.04 0.04 0.01 -0.02 -0.02 0.04 -0.15 -0.16 0.03 -0.11 -0.11 -0.02 0.08 0.10 0.05 -0.17 -0.19 0.01 -0.05 0.06 0.03 -0.09 -0.08 -0.02 0.05 -0.05 -0.10 0.34 0.41 -0.27 0.13 -0.31 0.32 -0.27 0.15 -0.07 0.23 0.25 -0.06 0.20 0.23 0.01 -0.07 -0.08 0.03 -0.12 -0.15 -0.01 0.02 0.03 0.00 0.02 0.01 0.02 -0.07 -0.09 0.00 -0.01 -0.01 0.03 -0.07 -0.11 0.11 0.23 0.53 -0.00 0.06 0.09 -0.31 0.43 0.21 -0.02 0.06 0.09 -0.20 -0.07 0.08 0.21 0.14 0.00 0.00 -0.09 -0.09 -0.00 0.03 -0.02 0.03 -0.00 0.01 0.02 0.01 0.05 0.01 -0.01 -0.02 -0.01 -0.01 0.00 0.00 -0.00 0.04 -0.01 0.01 0.00 -0.01 -0.01 0.06 0.08 -0.08 0.52 0.09 -0.37 -0.43 -0.17 0.55 -0.18 0.02 0.04 -0.03 -0.02 0.01 -0.02 -0.07 -0.03 0.00 0.05 -0.00 -0.01 -0.00 -0.12 0.08 -0.13 0.00 -0.02 -0.12 0.10 -0.06 -0.03 -0.04 -0.00 0.03 0.03 -0.03 -0.03 0.11 -0.06 0.02 -0.00 0.02 0.01 0.18 -0.11 0.00 -0.26 0.51 0.18 -0.42 -0.21 -0.16 0.24 -0.02 -0.11 -0.18 0.13 0.23 0.04 0.02 0.17 -0.00 0.04 -0.23 -0.08 -0.00 -0.05 0.16 0.18 0.01 -0.03 -0.03 -0.02 0.08 0.08 0.03 -0.11 -0.11 0.04 -0.14 -0.15 0.01 -0.04 -0.05 -0.03 0.10 0.11 0.01 -0.07 -0.07 0.16 0.37 0.02 -0.11 0.40 0.42 -0.27 -0.06 0.33 -0.03 0.10 0.12 0.11 0.16 -0.03 -0.12 -0.07 0.12 0.03 -0.10 -0.11 0.06 -0.22 0.22 -0.03 0.06 -0.07 -0.04 0.04 -0.04 -0.03 0.04 -0.06 0.00 0.07 -0.06 -0.01 0.06 -0.05 -0.05 -0.04 0.03 -0.01 0.08 -0.06 -0.06 -0.35 0.35 0.42 -0.20 0.27 -0.07 -0.32 0.30 -0.05 -0.06 0.04 -0.05 -0.06 0.09 -0.05 -0.11 0.03 0.15 0.19 -0.14 -0.15 -0.20 0.15 -0.02 -0.09 0.06 -0.02 -0.11 0.09 -0.16 -0.08 0.03 -0.19 -0.10 0.05 -0.14 -0.15 0.11 0.04 0.07 -0.07 -0.19 -0.23 0.18 -0.20 -0.26 0.22 0.03 -0.20 0.16 -0.21 -0.24 0.18 0.01 0.03 -0.05 0.15 0.13 -0.24 0.12 0.30 -0.08 0.22 0.08 -0.01 0.01 -0.05 -0.04 -0.06 0.19 0.20 -0.00 0.01 0.01 -0.08 0.26 0.27 0.00 -0.03 -0.03 0.05 -0.19 -0.20 -0.01 0.03 0.04 0.10 -0.36 -0.38 -0.26 -0.26 -0.04 0.06 -0.19 -0.18 0.32 0.03 -0.16 -0.01 0.04 0.05 0.02 0.06 -0.01 -0.03 -0.02 0.05 0.05 -0.14 -0.16 -0.01 0.04 0.03 -0.09 0.28 0.32 -0.10 0.33 0.35 0.02 -0.07 -0.06 0.07 -0.21 -0.22 -0.04 0.15 0.16 0.01 -0.12 -0.15 0.01 0.00 -0.01 0.11 0.15 -0.00 -0.06 0.13 0.12 -0.13 -0.01 0.09 0.02 -0.25 -0.26 -0.12 -0.23 0.03 0.15 0.08 -0.19 0.05 -0.09 -0.10 -0.17 -0.02 -0.03 -0.05 -0.12 0.07 -0.05 0.02 -0.05 -0.08 -0.11 0.09 0.02 -0.05 0.07 -0.01 0.00 -0.02 -0.08 0.27 -0.25 0.00 0.03 -0.03 -0.10 0.05 -0.08 -0.35 -0.04 -0.07 -0.10 0.06 -0.08 -0.06 0.33 -0.28 0.01 0.28 0.35 0.14 -0.28 -0.31 0.14 0.01 0.04 0.05 -0.06 0.07 0.11 0.10 -0.05 0.17 -0.01 0.07 -0.01 0.12 -0.11 -0.17 0.02 -0.08 -0.07 -0.09 0.08 0.25 0.10 -0.03 -0.18 -0.25 0.20 -0.06 -0.18 0.16 0.38 -0.02 0.13 -0.05 -0.18 0.15 0.41 0.33 -0.21 -0.04 0.04 0.06 -0.00 -0.05 -0.07 -0.16 -0.08 0.03 -0.31 -0.09 -0.00 -0.01 -0.04 0.05 0.06 0.09 -0.09 -0.09 -0.07 0.04 0.10 0.04 -0.02 0.04 0.14 -0.10 0.37 0.07 0.03 0.06 0.17 -0.12 -0.25 -0.03 -0.03 -0.41 -0.10 -0.02 -0.26 -0.04 -0.04 0.47 0.23 -0.08 -0.05 -0.08 -0.03 -0.07 0.00 0.08 0.06 -0.03 0.04 0.00 -0.03 -0.03 -0.07 0.24 0.26 -0.02 0.08 0.08 0.09 -0.30 -0.32 -0.10 0.34 0.36 0.07 -0.25 -0.27 0.00 -0.00 -0.00 0.03 -0.11 -0.12 0.27 0.15 0.04 -0.00 0.07 0.07 -0.33 -0.07 0.08 0.01 -0.03 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.03 -0.02 -0.11 -0.02 -0.00 0.19 -0.06 0.02 0.06 0.12 -0.01 -0.08 0.15 -0.14 -0.08 0.19 -0.19 -0.02 0.08 -0.12 -0.26 -0.07 0.00 -0.07 -0.03 -0.08 -0.25 -0.17 0.11 0.29 0.00 0.06 -0.19 -0.18 0.08 -0.39 -0.28 0.13 0.02 -0.02 -0.00 0.02 0.01 0.01 0.19 -0.25 0.30 -0.00 0.01 0.01 0.08 -0.32 -0.35 -0.12 0.38 0.42 -0.02 0.06 0.10 -0.01 0.06 0.11 0.05 -0.17 -0.16 0.05 0.01 -0.00 0.11 -0.32 -0.34 -0.10 -0.05 -0.04 -0.04 -0.05 -0.06 0.15 0.03 -0.04 0.10 -0.09 -0.17 -0.03 -0.07 -0.00 0.03 0.01 -0.05 -0.03 0.06 -0.00 0.36 0.11 -0.00 -0.11 -0.10 0.07 -0.19 0.08 -0.12 -0.01 -0.05 0.05 -0.14 -0.07 0.03 -0.29 0.07 -0.15 0.22 0.09 -0.03 -0.26 0.20 -0.17 0.34 0.09 -0.01 0.30 0.11 -0.02 0.33 0.11 0.01 0.21 0.09 -0.03 -0.02 -0.03 -0.00 -0.03 -0.01 0.03 0.15 -0.06 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 0.02 -0.01 0.02 0.02 0.01 -0.02 -0.02 0.02 -0.06 -0.06 -0.00 0.00 0.00 -0.19 0.67 0.71 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 -0.12 0.34 0.16 0.02 -0.06 -0.04 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.13 0.72 0.50 0.07 -0.22 -0.03 -0.00 -0.01 -0.09 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.02 0.00 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.02 0.01 -0.00 -0.02 0.02 -0.02 0.14 -0.20 0.43 0.01 0.03 -0.07 0.00 0.01 -0.00 -0.02 -0.00 -0.00 0.00 0.01 -0.00 -0.11 -0.22 0.77 -0.04 0.11 0.00 -0.03 0.01 -0.28 0.01 -0.01 0.01 -0.02 -0.09 0.08 0.21 0.13 -0.06 0.11 0.14 -0.10 0.09 -0.07 0.08 -0.06 -0.07 0.05 -0.15 -0.01 -0.03 -0.04 0.01 -0.02 -0.19 -0.04 -0.01 0.17 0.14 -0.18 -0.61 -0.15 -0.02 0.14 0.23 -0.09 -0.29 -0.33 0.20 -0.01 -0.01 -0.00 -0.01 -0.00 0.01 -0.02 0.01 -0.01 0.07 -0.06 0.08 -0.05 -0.03 0.02 -0.02 -0.04 0.03 -0.03 -0.04 0.03 -0.02 0.17 -0.16 0.03 -0.01 0.02 -0.01 -0.02 0.03 -0.13 -0.25 0.20 0.29 0.21 -0.23 -0.55 -0.12 -0.04 0.26 0.32 -0.13 0.18 0.21 -0.17 0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.04 -0.12 -0.15 0.00 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.17 0.61 0.75 0.01 0.02 0.02 -0.02 0.01 0.02 -0.00 0.00 0.00 -0.02 -0.01 0.00 0.03 0.04 -0.03 0.01 0.01 -0.00 0.03 0.00 0.01 0.02 -0.04 0.04 -0.07 0.02 -0.04 -0.11 -0.12 0.07 -0.00 0.13 -0.13 -0.03 -0.01 0.01 -0.02 -0.01 0.00 -0.02 -0.02 0.01 0.48 0.70 -0.43 0.02 0.01 -0.00 0.02 0.01 -0.01 0.00 -0.01 0.01 -0.03 0.10 0.10 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.02 -0.05 -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.02 -0.57 -0.22 -0.21 0.07 -0.26 -0.26 0.64 -0.01 -0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.06 0.06 -0.01 0.02 -0.02 0.01 -0.11 0.10 -0.02 0.08 -0.08 -0.09 -0.07 0.04 0.06 0.06 -0.04 0.02 0.02 -0.02 0.41 0.57 -0.42 0.15 0.12 -0.20 -0.32 -0.08 0.01 0.08 0.24 -0.08 -0.03 -0.07 0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.02 0.12 0.07 -0.04 0.03 -0.27 0.26 0.54 0.04 0.11 -0.26 -0.17 0.09 -0.16 -0.03 -0.01 0.03 0.23 -0.21 -0.13 -0.08 0.04 -0.14 0.00 -0.04 0.12 0.02 0.10 0.39 0.10 0.01 0.14 -0.07 0.02 -0.09 -0.02 0.01 0.01 0.01 -0.00 0.01 0.00 -0.01 -0.11 0.11 -0.13 0.03 -0.01 0.01 -0.06 0.01 -0.03 -0.07 0.32 -0.32 -0.05 -0.02 0.01 -0.37 -0.17 0.06 0.43 -0.00 0.12 -0.03 -0.09 0.08 0.31 -0.24 0.31 0.10 0.06 -0.03 0.06 -0.00 0.02 0.09 0.06 -0.03 0.20 0.24 -0.17 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.02 0.03 0.12 -0.03 0.06 -0.11 -0.01 -0.02 0.09 0.07 -0.04 -0.16 0.12 -0.15 0.16 -0.09 0.13 -0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.27 -0.39 0.29 -0.18 -0.10 -0.39 -0.35 -0.06 -0.03 -0.31 0.33 0.02 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.02 0.02 -0.13 -0.07 0.03 -0.05 -0.06 0.04 0.01 0.01 -0.01 0.08 0.06 -0.04 0.01 -0.03 0.03 -0.02 0.02 -0.02 -0.00 -0.00 0.00 -0.16 -0.18 0.12 0.30 0.34 -0.23 0.56 0.02 0.17 0.31 0.34 -0.26 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 -0.03 -0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.24 -0.32 0.34 -0.16 0.47 0.47 0.26 0.35 -0.24 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.01 -0.11 -0.05 0.02 0.02 -0.04 0.05 0.22 0.08 -0.02 -0.08 -0.04 0.02 0.02 0.10 -0.09 -0.00 0.00 -0.00 -0.33 -0.39 0.28 -0.14 -0.18 0.27 -0.53 -0.06 -0.11 -0.11 -0.32 0.15 -0.03 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.03 0.01 -0.02 -0.03 0.03 -0.04 0.03 0.01 -0.00 -0.08 0.02 -0.04 0.04 -0.02 0.03 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.03 0.02 0.43 0.19 0.50 -0.18 -0.04 -0.07 0.56 -0.40 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 0.01 -0.01 0.03 0.23 -0.21 -0.07 -0.15 0.13 -0.11 -0.13 0.09 -0.02 -0.05 0.04 0.10 0.17 -0.13 0.01 0.02 -0.02 -0.38 -0.50 0.37 0.02 0.07 -0.14 0.40 0.06 0.07 0.00 0.15 -0.07 -0.05 -0.04 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.04 0.05 0.02 -0.01 0.02 0.48 -0.14 0.26 -0.36 -0.08 -0.02 -0.11 0.10 -0.13 0.03 -0.06 0.07 0.07 0.11 -0.08 0.04 -0.01 0.02 -0.27 -0.39 0.29 0.11 0.02 0.11 -0.26 -0.05 -0.04 0.13 -0.09 0.03 0.06 0.09 -0.06 -0.00 0.01 -0.00 0.00 0.00 -0.01 -0.09 0.06 -0.08 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.07 0.03 -0.04 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.83 -0.31 0.45 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 -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 0.35 -0.47 -0.15 0.03 0.36 -0.34 0.15 0.23 0.56 -0.00 -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 -0.07 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.41 0.54 0.16 0.00 -0.03 0.01 0.18 0.25 0.64 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.07 0.07 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.21 0.28 0.10 0.05 0.62 -0.60 -0.08 -0.13 -0.29 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.06 0.02 -0.04 0.00 0.00 0.00 0.85 -0.25 0.46 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -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 6 7 7 7 5 1 1 1 1 1 9 9 9 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 6 6 6 7 7 7 5 1 1 1 1 1 9 9 9 12.00000 12.00000 12.00000 14.00307 14.00307 14.00307 11.00931 1.00783 1.00783 1.00783 1.00783 1.00783 18.99840 18.99840 18.99840 151.05286 723.53204 2096.45915 2442.89412 0.75578 0.6164 -0.221 0.57298 -0.45915 0.67888 -0.31699 0.63971 0.7002 asymmetric 1 0.11971 0.04131 0.03546 2.49435 0.86085 0.73877 267046.4 25.13 116.66 148.21 150.21 295.84 392.33 422.85 479.84 596.40 693.64 707.73 930.99 1000.67 1031.54 1045.18 1155.82 1167.58 1360.61 1367.92 1544.33 1567.01 1611.37 1628.79 1672.38 1806.83 1853.97 1908.96 2038.73 2092.22 2140.08 2149.00 2168.40 2261.75 2394.45 3427.25 4450.34 4584.22 4616.98 5230.42 0.101713 0.111144 0.112088 0.064968 -605.903770 -605.894339 -605.893395 -605.940515 69.744 32.468 99.172 0.000 0.000 0.000 0.889 2.981 40.947 0.889 2.981 29.695 67.966 26.506 28.530 1 0.593 1.986 6.903 2 0.600 1.962 3.864 3 0.605 1.947 3.397 4 0.605 1.946 3.370 5 0.640 1.832 2.082 6 0.676 1.724 1.579 7 0.689 1.685 1.451 8 0.715 1.609 1.243 9 0.778 1.439 0.911 10 0.838 1.290 0.704 11 0.848 1.268 0.679 0.130823e-29 -29.883314 -68.808874 0.796530e+17 16.901202 38.916456 0.260177e-43 -43.584732 -100.357554 1 0.118586e+02 1.074032 2.473050 2 0.253948e+01 0.404745 0.931960 3 0.199114e+01 0.299103 0.688710 4 0.196402e+01 0.293146 0.674993 5 0.967627e+00 -0.014292 -0.032909 6 0.707775e+00 -0.150105 -0.345629 7 0.649288e+00 -0.187562 -0.431878 8 0.559040e+00 -0.252557 -0.581534 9 0.425364e+00 -0.371240 -0.854811 10 0.346284e+00 -0.460567 -1.060496 11 0.336517e+00 -0.472992 -1.089105 0.158411e+04 3.199785 7.367776 1 0.123691e+02 1.092338 2.515201 2 0.308824e+01 0.489710 1.127600 3 0.255296e+01 0.407045 0.937255 4 0.252666e+01 0.402548 0.926900 5 0.158917e+01 0.201172 0.463215 6 0.136657e+01 0.135632 0.312305 7 0.131950e+01 0.120408 0.277251 8 0.125002e+01 0.096916 0.223157 9 0.115646e+01 0.063129 0.145360 10 0.110820e+01 0.044620 0.102741 11 0.110270e+01 0.042456 0.097759 0.100000e+01 0.000000 0.000000 0.729705e+08 7.863147 18.105566 0.689081e+06 5.838270 13.443113 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 7.7844 7.6030 -4.8211 11.9015 -68.4428 -84.5190 -65.4919 -23.4615 15.5939 12.4840 4.3751 -11.7011 7.3260 -23.4615 15.5939 12.4840 251.2378 334.9296 -115.9467 141.5019 149.5050 -80.2325 88.3401 101.8605 -61.9794 -31.9913 -1505.4454 -1560.0031 -494.9414 -683.4933 331.2664 -736.2118 342.7600 265.2809 311.6005 -634.9772 -367.3437 -325.9516 180.3334 143.0530 -219.3774 0 -606.005483 1.648E-9 5.189E-6 0.1017126 0.111144 -605.894339 -605.8933948 -605.9405147 3.2527944,-8.6994999,5.4467055,-17.4430549,11.5937176,9.2815286 C01 [X(C3H5B1F3N3)] 3.0626159 2.9912496 -1.8967833 0.5575467 0.1379584 -0.0239791 0.1213721 0.1905393 0.0296723 -0.0162346 0.0317587 0.1515388 0.7180235 -0.6254384 0.7344277 -0.2803823 0.4891392 -0.3592772 0.4055503 -0.4528097 0.7283093 -0.3061827 0.1525707 -0.2188316 -0.121953 -0.1912991 0.1183436 0.0577491 0.2020629 -0.2042363 -0.5062436 -0.170853 0.027561 0.0719567 0.1302092 -0.1262738 -0.197229 -0.1907749 0.1014465 0.2237104 -0.0811199 0.1587757 -0.160449 -0.4837644 0.3384397 0.2359283 0.3592624 -0.3490233 -0.4642666 0.0839651 -0.1714491 0.0538018 0.2301106 -0.3221007 -0.1444293 -0.3145306 0.1283371 1.5181237 0.1466998 -0.1422656 0.2271198 1.7007491 -0.0378211 -0.2178172 -0.0553638 1.6001509 0.3907882 -0.0143591 0.035243 -0.0457275 0.297783 0.00014 0.0672521 0.0080927 0.3227525 0.0052209 -0.0301306 0.0074204 0.0324712 -0.0015095 -0.0379306 0.0195431 -0.0244712 0.114915 0.0528099 0.0234597 -0.0457818 -0.0299181 0.0742406 0.0451391 0.0077936 0.0611729 0.0692409 0.0136144 -0.0255649 0.0388222 -0.0399613 0.1011055 -0.0208172 -0.0196659 -0.0489727 -0.0036477 -0.5089816 0.029142 -0.0923797 0.0322396 -0.2759099 0.0778231 -0.0995894 0.0772933 -0.2832588 -0.5836757 0.1095739 0.0680647 -0.0536567 -1.3243406 -0.1034382 0.0511853 -0.0928414 -0.5183159 -0.5793087 -0.0682394 0.0620823 -0.076485 -0.5354765 0.0226756 0.2258398 0.0476905 -1.3069054 -0.5311788 0.3323357 -0.43771 0.2695717 -0.4015764 0.3754255 -0.375876 0.3924307 -0.5513035 91.197821|9.352374|72.7138343|1.4153338|-14.8597999|68.3635141 0.000000260 -0.000001532 -0.000002016 0.000001563 0.000002590 -0.000003845 0.000003605 0.000007993 0.000007252 0.000001077 -0.000002244 -0.000002804 -0.000000250 -0.000006223 -0.000006461 0.000001925 -0.000010698 -0.000004685 -0.000003591 0.000007607 0.000008611 0.000000586 -0.000007408 -0.000006303 0.000000554 -0.000001003 0.000004120 0.000000527 -0.000003836 -0.000005762 -0.000002953 0.000005589 -0.000003023 0.000001585 -0.000001391 -0.000003066 0.000000437 -0.000002522 0.000014015 -0.000003545 0.000004256 -0.000005933 -0.000001780 0.000008823 0.000009900 145.85840960000002 AuxInfo=1/0/N:1,3,2,7,15,13,14,6,5,4/E:(6,7)/CRV:2.3,3.3,4.4,9.2/rA:15nCC3C3NN2NB4HHHHHFFF/rB:;s2;s1s2;s4;s3s5;s3;s6;s1;s1;s1;s7;s7;s7;s2;/rC:1.5987,.0264,-.0359;-.3181,-1.4023,.7805;-1.6598,-1.5023,.5058;.2136,-.4273,.0089;-.7022,.1175,-.7547;-1.7902,-.5389,-.4351;-2.9219,-2.434,1.0221;-2.655,-.2948,-.9015;2.2398,-.8118,-.3035;1.6592,.8061,-.7903;1.8782,.4196,.94;-3.9328,-2.0298,.4596;-2.6248,-3.7779,.6761;-3.0054,-2.2988,2.4313;.4406,-2.0632,1.6107;