2-Co.log SCF (wB97x) = -4078.31481297 E(SCF)+ZPE(0 K)= -4076.512474 H(298 K)= -4076.403955 G(298 K)= -4076.652490 Lowest Frequency = 10.9614cm-1 Ca 8.420022 5.929853 7.842387 Co 11.172451 9.898383 8.859625 N 7.531505 7.219310 6.132682 C 8.127594 7.799584 5.104918 C 9.430423 7.490250 4.671653 H 9.771257 8.040495 3.801836 C 10.301049 6.463517 5.106737 N 10.110750 5.730904 6.186534 C 7.399447 8.878355 4.325243 H 6.347944 8.623749 4.175222 H 7.866346 9.054186 3.355178 H 7.423681 9.817454 4.888868 C 11.527447 6.251183 4.238264 H 12.339427 6.897429 4.588635 H 11.319258 6.511439 3.199152 H 11.883933 5.220470 4.283572 C 6.159046 7.455047 6.412490 C 5.215784 6.490104 5.984203 C 3.879269 6.658780 6.343656 H 3.142483 5.929457 6.022760 C 3.471289 7.743536 7.110899 H 2.427113 7.854202 7.386544 C 4.405354 8.679217 7.528819 H 4.083195 9.516704 8.141315 C 5.755312 8.556024 7.195923 C 5.650164 5.313038 5.120456 H 6.672307 5.057427 5.414833 C 4.785948 4.062715 5.310206 H 4.660812 3.815339 6.367379 H 5.260570 3.209323 4.815145 H 3.792753 4.182259 4.862875 C 5.701470 5.694528 3.633187 H 4.723988 6.052238 3.290787 H 5.976478 4.824043 3.027904 H 6.440230 6.475692 3.442179 C 6.752845 9.587398 7.703998 H 7.707648 9.411788 7.201221 C 6.306516 11.019733 7.388074 H 6.175856 11.173816 6.312528 H 7.044458 11.740657 7.752613 H 5.358502 11.261499 7.878436 C 6.993842 9.432785 9.210730 H 7.177801 8.381593 9.455953 H 6.123058 9.751748 9.786981 H 7.860743 10.025390 9.525960 C 10.964205 4.634336 6.487121 C 12.208337 4.809047 7.129038 C 12.941190 3.672467 7.480739 H 13.895306 3.794760 7.985893 C 12.474719 2.393897 7.211542 H 13.063807 1.526106 7.491811 C 11.244491 2.231596 6.585466 H 10.879708 1.230245 6.380606 C 10.470610 3.333498 6.224505 C 12.783535 6.179468 7.458172 H 12.111329 6.941733 7.053154 C 14.163772 6.363350 6.810225 H 14.553109 7.365970 7.012536 H 14.129309 6.219197 5.726574 H 14.889164 5.650852 7.216174 C 12.884171 6.411983 8.971084 H 11.916148 6.293086 9.463983 H 13.230451 7.430473 9.172440 H 13.578597 5.707881 9.438838 C 9.133628 3.146415 5.521430 H 8.500813 3.999055 5.783670 C 8.386764 1.879241 5.945840 H 8.860531 0.973509 5.551724 H 7.363209 1.908346 5.559830 H 8.331759 1.793472 7.035177 C 9.299175 3.197387 3.995965 H 9.728374 4.149987 3.674801 H 8.327553 3.083289 3.503204 H 9.956341 2.391265 3.651493 C 12.135411 10.459907 7.071160 C 12.951279 10.798687 8.182833 C 12.198987 11.694865 9.016523 C 10.929339 11.933787 8.400900 C 10.883896 11.153319 7.209819 C 12.494491 9.603616 5.896026 H 13.336517 8.945707 6.119077 H 12.772597 10.221477 5.033708 H 11.648797 8.979065 5.589747 C 14.352610 10.332079 8.437475 H 14.552201 10.234294 9.507676 H 15.086544 11.033810 8.023782 H 14.532093 9.355030 7.982584 C 12.693199 12.327679 10.284571 H 11.869214 12.546994 10.968501 H 13.214916 13.268697 10.076135 H 13.390157 11.671100 10.812146 C 9.860498 12.857942 8.901351 H 8.864295 12.475996 8.665465 H 9.953060 13.854711 8.453567 H 9.913117 12.976051 9.986731 C 9.798143 11.127592 6.179576 H 9.633246 10.113779 5.800645 H 10.068201 11.754247 5.321246 H 8.853753 11.500117 6.578985 C 10.175865 8.486567 8.351672 H 10.029464 8.378585 7.253619 O 9.582373 7.544839 9.002600 C 11.135288 9.235522 10.382931 O 10.986647 8.632661 11.379317 Ca 8.972271 7.236348 11.286737 Co 5.946867 3.467084 10.378238 N 9.795873 5.814288 12.934157 C 9.155244 5.315557 13.980341 C 7.954339 5.833893 14.498438 H 7.578099 5.332000 15.383094 C 7.253726 7.011389 14.146431 N 7.478694 7.714036 13.053421 C 9.729983 4.107169 14.696959 H 10.782200 4.257261 14.949942 H 9.174291 3.878766 15.607253 H 9.686984 3.233114 14.039154 C 6.176398 7.422038 15.134076 H 5.287054 6.798846 14.987671 H 6.521323 7.267260 16.158416 H 5.879999 8.464721 15.011778 C 11.113934 5.362366 12.647762 C 12.202980 6.109618 13.153279 C 13.496491 5.691817 12.843085 H 14.344929 6.247638 13.229940 C 13.722709 4.579568 12.040268 H 14.738318 4.274266 11.807149 C 12.646462 3.873799 11.523170 H 12.827118 3.026540 10.867405 C 11.333327 4.246859 11.815593 C 11.967222 7.328849 14.036169 H 10.992245 7.739086 13.758481 C 13.011392 8.431961 13.832273 H 13.156124 8.652778 12.771981 H 12.680542 9.349168 14.331037 H 13.981015 8.162428 14.265831 C 11.885310 6.952163 15.523148 H 12.795620 6.433529 15.844526 H 11.773863 7.853233 16.135992 H 11.029225 6.306299 15.730125 C 10.175201 3.482791 11.194215 H 9.248929 3.804764 11.679306 C 10.289129 1.965835 11.369972 H 10.364202 1.684843 12.425121 H 9.407206 1.480250 10.941041 H 11.166518 1.564205 10.852957 C 10.067153 3.815148 9.702128 H 10.121977 4.900664 9.555031 H 10.899990 3.383305 9.144174 H 9.128604 3.422779 9.293776 C 6.774841 8.918019 12.781096 C 5.438459 8.911364 12.326262 C 4.839688 10.129250 11.997472 H 3.811643 10.135166 11.645585 C 5.533615 11.327336 12.086789 H 5.049834 12.261258 11.818367 C 6.853674 11.323128 12.518888 H 7.393120 12.262112 12.589447 C 7.491776 10.134674 12.873282 C 4.641078 7.626692 12.159253 H 5.234506 6.805986 12.566270 C 3.313087 7.683165 12.926502 H 2.779076 6.730592 12.845224 H 3.466013 7.901018 13.987309 H 2.651109 8.454559 12.519804 C 4.389376 7.307492 10.681040 H 5.320021 7.256667 10.112666 H 3.893848 6.337972 10.574031 H 3.755995 8.069322 10.215464 C 8.909940 10.151014 13.425174 H 9.381284 9.195762 13.177818 C 9.791399 11.255601 12.835978 H 9.496903 12.248731 13.192671 H 10.832276 11.095256 13.134059 H 9.752497 11.257030 11.741345 C 8.890696 10.217190 14.959090 H 8.338554 9.373022 15.381651 H 9.911155 10.186605 15.356020 H 8.414760 11.143060 15.300283 C 4.882889 3.217847 12.177142 C 4.013066 2.971908 11.077978 C 4.582997 1.902414 10.318757 C 5.777273 1.456138 10.977776 C 5.972327 2.280712 12.117918 C 4.674194 4.181176 13.302965 H 3.929506 4.937231 13.051214 H 4.325483 3.652948 14.198147 H 5.603340 4.694759 13.573468 C 2.712995 3.656494 10.781468 H 2.604557 3.864456 9.713628 H 1.862831 3.036389 11.090401 H 2.634216 4.609878 11.309554 C 3.985345 1.289026 9.086623 H 4.757439 0.870825 8.435165 H 3.295114 0.478263 9.347543 H 3.426801 2.028216 8.506250 C 6.616112 0.289266 10.549806 H 7.587941 0.294157 11.048016 H 6.122951 -0.657665 10.799859 H 6.795874 0.294276 9.471251 C 7.047305 2.178618 13.155762 H 7.341856 3.171311 13.508783 H 6.700665 1.609395 14.026961 H 7.939340 1.683714 12.766783 C 6.927477 4.920561 10.807087 H 6.968341 5.156480 11.895855 O 7.624809 5.759415 10.118985 C 6.413796 3.741655 8.807916 O 6.877251 4.051099 7.772848 2-Ir.log SCF (wB97x) = -3995.59387113 E(SCF)+ZPE(0 K)= -3993.791879 H(298 K)= -3993.683012 G(298 K)= -3993.933300 Lowest Frequency = 9.9098cm-1 Ca 8.428414 5.954188 7.885729 Ir 11.278381 9.989499 8.824049 N 7.590924 7.410534 6.271470 C 8.207711 7.943256 5.228503 C 9.455715 7.519113 4.731018 H 9.799965 8.048146 3.849376 C 10.265566 6.421867 5.110582 N 10.072485 5.685321 6.186391 C 7.555797 9.099116 4.490830 H 6.517777 8.872516 4.235638 H 8.099423 9.349754 3.579110 H 7.534137 9.985218 5.133329 C 11.439889 6.147729 4.188276 H 12.290327 6.771900 4.483345 H 11.188516 6.395746 3.155519 H 11.763210 5.106706 4.237555 C 6.260174 7.819420 6.571092 C 5.190998 7.018701 6.109041 C 3.885913 7.410262 6.409799 H 3.053207 6.813461 6.051097 C 3.630355 8.549957 7.161574 H 2.607313 8.837179 7.384827 C 4.688744 9.304301 7.647109 H 4.486728 10.170013 8.271782 C 6.010619 8.955728 7.368943 C 5.452451 5.774556 5.270683 H 6.448333 5.409487 5.535133 C 4.457978 4.642900 5.552433 H 4.347853 4.466596 6.625828 H 4.812867 3.716106 5.090470 H 3.467723 4.855369 5.134031 C 5.482438 6.098969 3.769884 H 4.541822 6.563109 3.452424 H 5.623659 5.183055 3.186019 H 6.302150 6.777967 3.522734 C 7.144631 9.758826 7.983967 H 8.081365 9.455268 7.508927 C 7.001151 11.271327 7.795754 H 6.907927 11.543458 6.739515 H 7.882187 11.770273 8.211702 H 6.124197 11.663395 8.321073 C 7.248105 9.443651 9.480433 H 7.202399 8.359487 9.635145 H 6.408024 9.874082 10.028474 H 8.180766 9.852666 9.885999 C 10.894118 4.555997 6.458933 C 12.162220 4.688965 7.064277 C 12.862051 3.529323 7.406793 H 13.833137 3.620401 7.885489 C 12.341108 2.266906 7.163463 H 12.903081 1.380046 7.439633 C 11.094308 2.146104 6.562418 H 10.691090 1.157466 6.368484 C 10.353705 3.272603 6.206268 C 12.801045 6.038525 7.361060 H 12.151298 6.820701 6.959701 C 14.170036 6.154833 6.674464 H 14.615184 7.136918 6.863095 H 14.098091 6.011059 5.592429 H 14.871460 5.409038 7.061794 C 12.948961 6.290791 8.866829 H 11.994339 6.199560 9.389974 H 13.319130 7.305040 9.047179 H 13.643463 5.578412 9.321876 C 9.012607 3.122989 5.502308 H 8.408948 4.002301 5.742585 C 8.221351 1.889191 5.946615 H 8.662096 0.962136 5.563498 H 7.198655 1.949066 5.562220 H 8.166434 1.819285 7.037141 C 9.195980 3.130666 3.977442 H 9.657254 4.061579 3.637334 H 8.227513 3.032250 3.475613 H 9.833337 2.297714 3.660455 C 12.374417 10.391542 6.843034 C 13.264943 10.745070 7.905345 C 12.657245 11.824964 8.630782 C 11.417081 12.165513 7.990246 C 11.235506 11.270353 6.892897 C 12.618733 9.399936 5.748156 H 13.393192 8.683282 6.023308 H 12.942576 9.911932 4.834438 H 11.707998 8.842998 5.506646 C 14.622776 10.164068 8.157059 H 14.885662 10.218149 9.215867 H 15.391568 10.701757 7.589445 H 14.661646 9.112104 7.866134 C 13.274013 12.566895 9.780385 H 12.507927 12.987614 10.436263 H 13.898889 13.392799 9.421512 H 13.901958 11.909618 10.386618 C 10.540182 13.325993 8.352282 H 9.533433 13.203244 7.948035 H 10.950117 14.259711 7.949161 H 10.451187 13.439149 9.435300 C 10.141417 11.289325 5.870061 H 9.899711 10.275010 5.541109 H 10.446855 11.862402 4.986339 H 9.229861 11.739618 6.265969 C 10.310351 8.393775 8.350191 H 10.263128 8.172997 7.263741 O 9.683667 7.516139 9.055746 C 10.881596 9.568539 10.519153 O 10.506478 9.143729 11.556613 Ca 8.909475 7.334195 11.314913 Ir 6.059482 3.298904 10.376604 N 9.746954 5.877844 12.929174 C 9.130158 5.345130 13.972140 C 7.882164 5.769295 14.469630 H 7.537908 5.240269 15.351274 C 7.072329 6.866555 14.090070 N 7.265413 7.603094 13.014256 C 9.782052 4.189256 14.709809 H 10.820076 4.415837 14.965004 H 9.238420 3.938621 15.621527 H 9.803699 3.303157 14.067306 C 5.898022 7.140716 15.012389 H 5.047576 6.516546 14.717343 H 6.149409 6.892714 16.045146 H 5.574707 8.181741 14.963098 C 11.077698 5.468936 12.629556 C 12.146887 6.269632 13.091620 C 13.451966 5.878047 12.790866 H 14.284681 6.474829 13.149578 C 13.707507 4.738354 12.039084 H 14.730545 4.451113 11.815835 C 12.649107 3.984033 11.553537 H 12.851109 3.118321 10.928860 C 11.327237 4.332629 11.831698 C 11.885453 7.513775 13.929987 H 10.889579 7.878864 13.665535 C 12.879948 8.645414 13.648250 H 12.990080 8.821724 12.574857 H 12.525074 9.572211 14.110219 H 13.870197 8.432924 14.066655 C 11.855454 7.189351 15.430783 H 12.796058 6.725186 15.748243 H 11.714253 8.105264 16.014654 H 11.035725 6.510371 15.677926 C 10.193213 3.529555 11.216666 H 9.256482 3.833134 11.691699 C 10.336657 2.017051 11.404880 H 10.429874 1.744919 12.461119 H 9.455607 1.518127 10.988934 H 11.213601 1.624962 10.879562 C 10.089758 3.844732 9.720200 H 10.135481 4.928896 9.565489 H 10.929837 3.414290 9.172165 H 9.157095 3.435730 9.314625 C 6.443792 8.732427 12.741715 C 5.175676 8.599471 12.136396 C 4.475856 9.759120 11.793882 H 3.504759 9.668051 11.315206 C 4.996822 11.021532 12.037188 H 4.434858 11.908397 11.761018 C 6.243636 11.142322 12.638206 H 6.646873 12.130956 12.832121 C 6.984228 10.015816 12.994355 C 4.536829 7.249917 11.839635 H 5.186569 6.467737 12.240998 C 3.167842 7.133635 12.526243 H 2.722678 6.151554 12.337628 H 3.239798 7.277420 13.608276 H 2.466425 7.879435 12.138911 C 4.388900 6.997636 10.333870 H 5.343519 7.088853 9.810717 H 4.018721 5.983389 10.153532 H 3.694401 7.710017 9.878821 C 8.325341 10.165418 13.698291 H 8.928978 9.286088 13.458023 C 9.116614 11.399191 13.253947 H 8.675892 12.326262 13.637049 H 10.139314 11.339305 13.638328 H 9.171517 11.469073 12.163418 C 8.141989 10.157773 15.223159 H 7.680695 9.226877 15.563289 H 9.110465 10.256173 15.724973 H 7.504657 10.990746 15.540140 C 4.963430 2.896899 12.357615 C 4.072898 2.543385 11.295304 C 4.680574 1.463472 10.569877 C 5.920729 1.122900 11.210420 C 6.102320 2.018061 12.307764 C 4.719132 3.888515 13.452489 H 3.944676 4.605174 13.177338 H 4.395292 3.376528 14.366212 H 5.629873 4.445448 13.693989 C 2.715079 3.124414 11.043582 H 2.452197 3.070336 9.984773 H 1.946273 2.586744 11.611194 H 2.676229 4.176380 11.334504 C 4.063793 0.721549 9.420276 H 4.829871 0.300798 8.764410 H 3.438888 -0.104331 9.779151 H 3.435875 1.378840 8.814030 C 6.797605 -0.037601 10.848395 H 7.804360 0.085137 11.252633 H 6.387657 -0.971306 11.251533 H 6.886590 -0.150775 9.765379 C 7.196403 1.999069 13.330606 H 7.438121 3.013379 13.659564 H 6.890953 1.425992 14.214324 H 8.107955 1.548765 12.934701 C 7.027502 4.894638 10.850450 H 7.074700 5.115438 11.936896 O 7.654204 5.772258 10.144892 C 6.456325 3.719814 8.681500 O 6.831482 4.144589 7.644039 2-Rh.log SCF (wB97x) = -4007.87701507 E(SCF)+ZPE(0 K)= -4006.075919 H(298 K)= -4005.967209 G(298 K)= -4006.216117 Lowest Frequency = 7.5209cm-1 Ca 8.438121 5.963763 7.872793 Rh 11.296585 10.001185 8.832980 N 7.594578 7.408828 6.260144 C 8.207971 7.939587 5.213120 C 9.453990 7.513973 4.714225 H 9.800083 8.043881 3.833976 C 10.263885 6.418527 5.096797 N 10.070229 5.685503 6.175637 C 7.553522 9.093819 4.475731 H 6.513297 8.869214 4.228190 H 8.091988 9.340181 3.559891 H 7.539162 9.982218 5.115288 C 11.437346 6.140452 4.175117 H 12.284776 6.772394 4.462391 H 11.182596 6.377416 3.140595 H 11.765800 5.101543 4.233670 C 6.261796 7.811169 6.559530 C 5.196799 7.006268 6.094274 C 3.889910 7.388669 6.398677 H 3.059990 6.789043 6.038387 C 3.628798 8.523110 7.156715 H 2.604390 8.802861 7.382957 C 4.683066 9.282592 7.643061 H 4.476356 10.145222 8.270441 C 6.006732 8.943884 7.360721 C 5.465214 5.767452 5.249616 H 6.460273 5.402287 5.518171 C 4.469909 4.632722 5.515786 H 4.349771 4.448327 6.586719 H 4.829329 3.709652 5.049847 H 3.483095 4.846921 5.090427 C 5.505337 6.099739 3.750639 H 4.568035 6.568428 3.430271 H 5.646598 5.186109 3.163282 H 6.328787 6.776648 3.511118 C 7.136801 9.757002 7.970938 H 8.073791 9.459365 7.491875 C 6.979897 11.267786 7.776734 H 6.883049 11.533374 6.719327 H 7.856363 11.778601 8.187854 H 6.099638 11.653527 8.301152 C 7.248632 9.447415 9.468559 H 7.209998 8.363177 9.627054 H 6.408433 9.873976 10.019651 H 8.180898 9.861283 9.870473 C 10.885825 4.552020 6.450054 C 12.155470 4.679424 7.053174 C 12.848825 3.516677 7.398306 H 13.821709 3.603321 7.874168 C 12.319373 2.256782 7.159903 H 12.876193 1.367319 7.437990 C 11.071040 2.141404 6.560729 H 10.661960 1.154507 6.370423 C 10.337106 3.271282 6.201289 C 12.801573 6.026902 7.343086 H 12.155544 6.810253 6.938165 C 14.170191 6.135429 6.654747 H 14.618655 7.116476 6.840491 H 14.095653 5.989616 5.573233 H 14.868773 5.387349 7.042922 C 12.951925 6.285068 8.847838 H 11.999659 6.190177 9.374897 H 13.320464 7.300975 9.023657 H 13.650441 5.576966 9.303647 C 8.995334 3.128815 5.496616 H 8.394025 4.009036 5.740983 C 8.200473 1.894400 5.932580 H 8.638598 0.969048 5.542678 H 7.178074 1.959346 5.548119 H 8.145370 1.815191 7.022479 C 9.177874 3.144499 3.971627 H 9.641341 4.075687 3.635715 H 8.208763 3.051199 3.470114 H 9.812618 2.311336 3.650216 C 12.380005 10.387735 6.852579 C 13.272173 10.755941 7.899481 C 12.652717 11.823949 8.629136 C 11.413631 12.162511 7.984740 C 11.233208 11.261344 6.901423 C 12.618351 9.391983 5.760290 H 13.418419 8.696416 6.017310 H 12.901955 9.900654 4.830972 H 11.714771 8.811086 5.547401 C 14.632949 10.182235 8.156451 H 14.886456 10.221547 9.218736 H 15.405757 10.733310 7.606876 H 14.686321 9.134947 7.848982 C 13.266712 12.577235 9.773273 H 12.499524 12.990368 10.433217 H 13.878122 13.411528 9.409355 H 13.909039 11.931650 10.377528 C 10.533039 13.319801 8.350771 H 9.536552 13.214428 7.916001 H 10.956393 14.262397 7.983012 H 10.414081 13.409660 9.433710 C 10.138313 11.258667 5.878959 H 9.879861 10.236323 5.588098 H 10.450124 11.789612 4.971007 H 9.233600 11.740048 6.254550 C 10.318999 8.409691 8.375177 H 10.277193 8.200014 7.283394 O 9.688100 7.529992 9.062926 C 10.909123 9.578319 10.526039 O 10.516759 9.124849 11.538153 Ca 8.899755 7.324636 11.327858 Rh 6.041289 3.287215 10.367672 N 9.743298 5.879570 12.940507 C 9.129904 5.348811 13.987530 C 7.883886 5.774427 14.486425 H 7.537792 5.244520 15.366675 C 7.073992 6.869875 14.103854 N 7.267649 7.602899 13.025015 C 9.784351 4.194578 14.724919 H 10.824576 4.419181 14.972460 H 9.245885 3.948217 15.640759 H 9.798710 3.306179 14.085362 C 5.900533 7.147952 15.025535 H 5.053103 6.516010 14.738264 H 6.155284 6.910989 16.060058 H 5.572080 8.186861 14.966982 C 11.076079 5.477227 12.641121 C 12.141077 6.282125 13.106378 C 13.447966 5.899722 12.801975 H 14.277887 6.499346 13.162266 C 13.709076 4.765281 12.043936 H 14.733484 4.485528 11.817695 C 12.654807 4.005802 11.557590 H 12.861516 3.143171 10.930209 C 11.331142 4.344512 11.839929 C 11.872664 7.520941 13.951036 H 10.877606 7.886108 13.682482 C 12.867972 8.655670 13.684868 H 12.988110 8.840065 12.613935 H 12.508553 9.578740 14.150807 H 13.854785 8.441469 14.110226 C 11.832541 7.188653 15.450013 H 12.769842 6.719962 15.770381 H 11.691282 8.102283 16.037371 H 11.009090 6.511746 15.689535 C 10.201071 3.531397 11.229712 H 9.264082 3.829035 11.708774 C 10.357972 2.020611 11.423915 H 10.454819 1.755023 12.481322 H 9.481505 1.509799 11.012795 H 11.238230 1.634869 10.899497 C 10.089242 3.840984 9.732090 H 10.127878 4.925222 9.573596 H 10.929441 3.414422 9.180999 H 9.156976 3.427117 9.330175 C 6.452054 8.736383 12.750597 C 5.182408 8.608980 12.147480 C 4.489054 9.771728 11.802348 H 3.516169 9.685085 11.326488 C 5.018509 11.031623 12.040749 H 4.461689 11.921085 11.762662 C 6.266842 11.146999 12.639920 H 6.675924 12.133896 12.830225 C 7.000776 10.017120 12.999361 C 4.536302 7.261503 11.857569 H 5.182331 6.478152 12.262491 C 3.167685 7.152978 12.545910 H 2.719220 6.171932 12.360168 H 3.242224 7.298793 13.627424 H 2.469104 7.901059 12.157735 C 4.385950 7.003336 10.352818 H 5.338215 7.098225 9.825758 H 4.017408 5.987429 10.177000 H 3.687434 7.711438 9.897009 C 8.342549 10.159585 13.704031 H 8.943856 9.279363 13.459665 C 9.137412 11.393998 13.268065 H 8.699289 12.319352 13.657966 H 10.159811 11.329051 13.652525 H 9.192513 11.473206 12.178165 C 8.160011 10.143903 15.229020 H 7.696543 9.212716 15.564934 H 9.129123 10.237201 15.730532 H 7.525269 10.977068 15.550432 C 4.957868 2.900669 12.348073 C 4.065699 2.532465 11.301171 C 4.685152 1.464455 10.571517 C 5.924237 1.125890 11.215913 C 6.104663 2.027057 12.299230 C 4.719524 3.896422 13.440361 H 3.919457 4.591990 13.183342 H 4.435920 3.387752 14.369680 H 5.623105 4.477318 13.653249 C 2.704924 3.106174 11.044201 H 2.451418 3.066863 9.981915 H 1.932115 2.555100 11.593774 H 2.651554 4.153461 11.351670 C 4.071156 0.711170 9.427380 H 4.838342 0.298033 8.767437 H 3.459743 -0.123121 9.791298 H 3.428831 1.356756 8.823124 C 6.804828 -0.031402 10.849883 H 7.801315 0.073970 11.284652 H 6.381471 -0.973997 11.217643 H 6.923784 -0.121262 9.766944 C 7.199557 2.029732 13.321694 H 7.458011 3.052075 13.612556 H 6.887745 1.498786 14.229645 H 8.104270 1.548350 12.946103 C 7.018874 4.878710 10.825474 H 7.060677 5.088390 11.917256 O 7.649775 5.758408 10.137724 C 6.428757 3.710076 8.674612 O 6.821125 4.163543 7.662499 3-Co_bisanion.log SCF (wB97x) = -763.543606950 Co 3.456231 3.818318 21.077685 C 3.291926 4.416281 18.997253 C 3.263955 2.990567 19.059778 C 4.508587 2.531859 19.586819 C 5.316033 3.673145 19.851154 C 4.566698 4.831860 19.486452 C 4.846304 1.091977 19.827998 H 5.740317 0.993642 20.454347 H 5.030626 0.527907 18.897229 H 4.023356 0.593414 20.358626 C 2.144715 2.097942 18.614841 H 1.953947 1.317226 19.362811 H 2.352791 1.600086 17.652371 H 1.212884 2.662480 18.500841 C 2.251511 5.297269 18.372706 H 1.249416 4.878753 18.510187 H 2.404010 5.444148 17.285405 H 2.243863 6.287093 18.840042 C 5.075566 6.239246 19.574703 H 4.254345 6.960225 19.498573 H 5.804932 6.479744 18.782416 H 5.562170 6.412531 20.543536 C 6.696517 3.706827 20.433005 H 6.974311 2.733016 20.852307 H 6.745078 4.437713 21.252074 H 7.470799 3.982787 19.696253 C 2.296069 2.727372 21.965627 H 2.355164 1.665848 21.451418 O 1.481817 2.721339 22.900293 C 3.851773 4.922622 22.473642 H 4.948195 5.324894 22.298399 O 3.371314 5.388262 23.517187 3-Co.log SCF (wB97x) = -3315.73199551 E(SCF)+ZPE(0 K)= -3314.176492 H(298 K)= -3314.086059 G(298 K)= -3314.298616 Lowest Frequency = 15.4794cm-1 Co 3.508588 3.783415 21.030389 Ca 3.712392 2.613520 23.936654 Ca 1.401190 5.193357 22.950368 N 4.393073 2.930320 26.152088 C 4.448340 2.024260 27.115671 C 4.097172 0.664065 26.974572 H 4.142909 0.089908 27.892834 C 3.918145 -0.110935 25.812624 N 3.827172 0.372258 24.582164 C 5.008532 2.401883 28.476858 H 6.103240 2.384955 28.428362 H 4.695083 1.690671 29.242580 H 4.721986 3.409308 28.781742 C 3.939578 -1.613641 26.035518 H 3.356016 -2.150349 25.286167 H 3.563139 -1.862174 27.029515 H 4.970425 -1.979842 25.968970 C 4.898135 4.234541 26.423150 C 6.257622 4.516952 26.195178 C 6.750242 5.780606 26.525630 H 7.801659 6.003473 26.364550 C 5.917839 6.759157 27.049057 H 6.316710 7.732031 27.319306 C 4.559069 6.498864 27.181164 H 3.901761 7.283083 27.543831 C 4.023675 5.256262 26.846763 C 7.169661 3.512986 25.506919 H 6.631055 2.561591 25.435142 C 7.462523 4.003794 24.079927 H 6.537232 4.125678 23.504388 H 8.111062 3.307572 23.539648 H 7.955249 4.981712 24.099299 C 8.467010 3.242886 26.275506 H 9.096186 4.137141 26.336192 H 9.051440 2.463248 25.775421 H 8.259205 2.910234 27.296717 C 2.524482 5.020043 26.926966 H 2.300041 4.192137 26.244341 C 2.079373 4.584691 28.328934 H 2.386693 5.325456 29.075469 H 2.508258 3.619404 28.610070 H 0.989471 4.495209 28.371570 C 1.710679 6.236095 26.472416 H 0.651227 5.982826 26.375998 H 2.055827 6.619717 25.508359 H 1.774698 7.062808 27.187872 C 3.941065 -0.515094 23.476348 C 2.801107 -0.868361 22.718797 C 2.972483 -1.711722 21.618227 H 2.106709 -2.005551 21.034163 C 4.226254 -2.182617 21.250735 H 4.332821 -2.834621 20.389339 C 5.342369 -1.804303 21.983493 H 6.323559 -2.159057 21.681808 C 5.222657 -0.974216 23.097575 C 1.411276 -0.380146 23.104465 H 1.503626 0.645872 23.467732 C 0.809079 -1.207701 24.248648 H -0.212510 -0.869428 24.449576 H 1.383546 -1.097456 25.171066 H 0.773641 -2.271037 23.984869 C 0.430030 -0.336679 21.928339 H 0.083635 -1.338351 21.647159 H 0.875863 0.125900 21.042264 H -0.446275 0.252418 22.210181 C 6.469204 -0.538015 23.855973 H 6.161592 -0.156660 24.832593 C 7.159130 0.620027 23.125326 H 8.028869 0.974669 23.688386 H 6.478973 1.470173 22.992628 H 7.497809 0.311585 22.129665 C 7.455638 -1.683953 24.106681 H 7.916998 -2.039830 23.179552 H 6.959914 -2.535973 24.581365 H 8.263813 -1.348422 24.764189 N -0.740857 5.019634 23.895550 C -1.456458 5.999837 24.427901 C -1.065548 7.354908 24.485790 H -1.746054 7.998242 25.032059 C -0.070313 8.046999 23.766171 N 0.877624 7.475732 23.040865 C -2.841421 5.702680 24.973582 H -3.523352 5.496481 24.141403 H -3.237071 6.546806 25.539138 H -2.847497 4.812731 25.604846 C -0.203926 9.560118 23.797271 H 0.722085 10.064512 23.518970 H -0.507298 9.892360 24.792779 H -0.982070 9.876725 23.094564 C -1.347699 3.735197 23.755201 C -1.996914 3.416206 22.544733 C -2.618763 2.173765 22.412525 H -3.131691 1.929915 21.485870 C -2.592254 1.243052 23.440571 H -3.089767 0.284786 23.328211 C -1.893550 1.539533 24.602426 H -1.841611 0.798162 25.395475 C -1.251132 2.765319 24.775507 C -2.004675 4.370530 21.358912 H -1.512972 5.299148 21.668432 C -1.202943 3.768950 20.193142 H -0.149719 3.628164 20.465162 H -1.244267 4.415410 19.311036 H -1.596057 2.787317 19.909220 C -3.425684 4.741044 20.918032 H -3.975755 3.866560 20.554694 H -3.396855 5.474967 20.105804 H -3.994423 5.173428 21.746481 C -0.445342 2.991814 26.045378 H 0.020089 3.977720 25.966845 C -1.323954 2.982972 27.304063 H -1.868522 2.037345 27.396962 H -2.058826 3.792766 27.295008 H -0.709207 3.096888 28.202484 C 0.671573 1.945433 26.172871 H 1.345067 2.178232 27.002470 H 1.257152 1.886557 25.252094 H 0.262234 0.945581 26.350918 C 1.625484 8.241530 22.104377 C 2.989338 8.533055 22.345701 C 3.712349 9.198086 21.353990 H 4.757231 9.433077 21.525043 C 3.130010 9.557742 20.145316 H 3.717339 10.065045 19.386271 C 1.793988 9.263241 19.916567 H 1.339233 9.543042 18.970192 C 1.021755 8.616919 20.882839 C 3.652470 8.177849 23.669826 H 3.293775 7.191736 23.973510 C 3.265361 9.166624 24.778535 H 3.800248 8.917855 25.700459 H 2.195121 9.132490 24.994429 H 3.528826 10.191467 24.493589 C 5.177558 8.061873 23.588840 H 5.658806 9.043500 23.505586 H 5.493026 7.456654 22.733553 H 5.551248 7.581177 24.496589 C -0.438428 8.309050 20.579665 H -0.916309 7.957179 21.496855 C -0.545484 7.171574 19.560386 H -0.092744 7.450448 18.602412 H -1.592438 6.905330 19.379317 H -0.026053 6.279783 19.921632 C -1.211760 9.545250 20.104122 H -0.864627 9.889074 19.124080 H -1.101933 10.377763 20.805256 H -2.277429 9.312684 20.011275 C 3.292226 4.382814 19.024428 C 3.275896 2.957019 19.099785 C 4.503017 2.522227 19.681927 C 5.300981 3.687961 19.934175 C 4.554621 4.831092 19.524941 C 4.911452 1.097645 19.905464 H 5.662568 1.014639 20.693346 H 5.337732 0.660763 18.994171 H 4.066224 0.475383 20.209013 C 2.172368 2.064625 18.622807 H 2.170459 1.111080 19.159386 H 2.286755 1.839697 17.556705 H 1.189943 2.526164 18.761430 C 2.236201 5.252429 18.414464 H 1.243210 4.807468 18.519338 H 2.422027 5.398275 17.343143 H 2.212111 6.239290 18.884612 C 5.027096 6.251808 19.564667 H 4.194809 6.952446 19.666217 H 5.576139 6.506206 18.650496 H 5.703619 6.428889 20.406661 C 6.703508 3.708729 20.462883 H 6.922496 2.818111 21.057364 H 6.880076 4.581589 21.098490 H 7.430222 3.748359 19.642970 C 2.148455 2.874579 21.763442 H 1.637276 2.137362 21.113839 O 1.637026 2.877589 22.959113 C 4.031915 4.810118 22.402217 H 4.903131 5.470018 22.208438 O 3.603050 4.938581 23.619627 3-Ir_bisanion.log SCF (wB97x) = -722.183436974 Ir 3.494188 3.646317 21.648497 C 3.449731 4.390137 18.624548 C 3.324786 3.000924 18.854322 C 4.433442 2.570066 19.632339 C 5.246266 3.722153 19.896691 C 4.620779 4.837249 19.276284 C 4.839695 1.138574 19.849652 H 5.462808 1.041843 20.743656 H 5.406044 0.724838 18.994522 H 3.963965 0.499503 20.006205 C 2.175347 2.125887 18.449362 H 2.509872 1.158128 18.048594 H 1.558040 2.601572 17.677148 H 1.517498 1.908027 19.307349 C 2.393739 5.270753 18.020762 H 1.649328 5.588100 18.765356 H 1.847632 4.761213 17.214889 H 2.823464 6.182581 17.584479 C 5.094003 6.254787 19.406475 H 4.561796 6.923695 18.719147 H 6.168649 6.358494 19.195839 H 4.928789 6.635327 20.428233 C 6.645662 3.706999 20.446520 H 6.770650 2.898485 21.172938 H 6.871916 4.640655 20.973092 H 7.410028 3.575947 19.658036 C 2.158664 2.572571 22.472287 H 1.494048 2.208513 21.580639 O 1.823202 2.093974 23.561709 C 3.892841 4.885786 23.034226 H 4.205523 5.860916 22.469675 O 4.002825 4.972376 24.262504 3-Ir.log SCF (wB97x) = -3274.37918280 E(SCF)+ZPE(0 K)= -3272.823483 H(298 K)= -3272.732740 G(298 K)= -3272.945910 Lowest Frequency = 14.9611cm-1 Ir 3.704599 3.870949 21.047483 Ca 3.627965 2.610503 23.972931 Ca 1.283840 5.098898 22.929771 N 4.362247 2.918303 26.173484 C 4.437703 2.019003 27.142105 C 4.076994 0.659229 27.019424 H 4.160172 0.083719 27.934529 C 3.847571 -0.111231 25.862468 N 3.691103 0.386613 24.647712 C 5.033624 2.405096 28.485634 H 6.126667 2.378001 28.413409 H 4.731018 1.705334 29.266265 H 4.762250 3.418421 28.785125 C 3.890809 -1.615002 26.067147 H 3.331752 -2.152532 25.299833 H 3.499586 -1.882034 27.051060 H 4.929880 -1.959904 26.020023 C 4.886664 4.221457 26.409790 C 6.238576 4.489682 26.126331 C 6.751061 5.757378 26.411303 H 7.798462 5.967704 26.210870 C 5.944758 6.753143 26.941320 H 6.359740 7.728363 27.177111 C 4.589032 6.506033 27.125435 H 3.949544 7.304494 27.488891 C 4.033890 5.261070 26.838374 C 7.128515 3.464471 25.439139 H 6.566063 2.527208 25.361322 C 7.453378 3.944418 24.015217 H 6.543078 4.056076 23.413791 H 8.113644 3.241402 23.498737 H 7.949926 4.920417 24.036322 C 8.409890 3.160454 26.222843 H 9.056679 4.041270 26.295534 H 8.983024 2.369690 25.727056 H 8.181955 2.828876 27.240024 C 2.534656 5.043246 26.962385 H 2.285114 4.209392 26.298190 C 2.121685 4.634769 28.382052 H 2.450547 5.385403 29.109339 H 2.551841 3.671455 28.668777 H 1.032302 4.552247 28.452886 C 1.720809 6.256986 26.502675 H 0.655929 6.012440 26.453537 H 2.033584 6.597311 25.512384 H 1.820134 7.104566 27.189241 C 3.753265 -0.452718 23.503474 C 2.578640 -0.757088 22.777524 C 2.699648 -1.500707 21.601516 H 1.807234 -1.749268 21.036809 C 3.935805 -1.930910 21.136227 H 4.002987 -2.507882 20.218949 C 5.083783 -1.612528 21.847679 H 6.051471 -1.935474 21.473374 C 5.015558 -0.874889 23.029231 C 1.209486 -0.314055 23.272947 H 1.326714 0.671031 23.726732 C 0.662613 -1.249928 24.359574 H -0.341577 -0.925958 24.653775 H 1.292101 -1.241131 25.252710 H 0.596273 -2.280865 23.993268 C 0.176918 -0.154160 22.154296 H -0.167813 -1.122608 21.772346 H 0.576663 0.420229 21.313511 H -0.693501 0.381404 22.538303 C 6.299591 -0.491594 23.750486 H 6.035842 -0.085806 24.730277 C 7.025205 0.621754 22.986272 H 7.913325 0.956016 23.532621 H 6.374951 1.491799 22.832159 H 7.345897 0.273616 21.997421 C 7.230987 -1.686409 23.984981 H 7.627358 -2.084766 23.045055 H 6.709271 -2.500308 24.496909 H 8.085451 -1.386541 24.600055 N -0.791963 4.964031 24.006818 C -1.468117 5.972292 24.544359 C -1.089369 7.329834 24.499487 H -1.751955 7.997775 25.037219 C -0.124666 7.990094 23.709260 N 0.824008 7.391006 23.009915 C -2.784984 5.691223 25.246135 H -3.483143 5.197885 24.563057 H -3.244754 6.607883 25.615568 H -2.638072 5.008993 26.087584 C -0.296941 9.496686 23.624034 H 0.636132 10.009220 23.386966 H -0.695215 9.891988 24.560654 H -1.015768 9.735036 22.832442 C -1.433780 3.690058 23.943042 C -2.106481 3.336951 22.754181 C -2.818520 2.138377 22.703835 H -3.361769 1.878017 21.799317 C -2.834176 1.266162 23.782436 H -3.394393 0.337883 23.731263 C -2.088124 1.574701 24.910922 H -2.056771 0.868087 25.735735 C -1.377555 2.771504 25.012102 C -2.046176 4.206489 21.506938 H -1.423184 5.079291 21.733422 C -1.388021 3.428576 20.356465 H -0.385283 3.088249 20.637507 H -1.305931 4.046673 19.457744 H -1.970193 2.538740 20.096668 C -3.424079 4.748281 21.110398 H -4.116281 3.936064 20.863824 H -3.347200 5.399161 20.232774 H -3.863373 5.329242 21.926907 C -0.518920 3.008275 26.244627 H -0.140768 4.033407 26.197120 C -1.293560 2.850816 27.558936 H -1.656151 1.826247 27.690988 H -2.159743 3.517476 27.604450 H -0.645656 3.076673 28.411408 C 0.684297 2.054947 26.215600 H 1.373534 2.235369 27.044855 H 1.228821 2.166244 25.274150 H 0.360344 1.010149 26.266078 C 1.564181 8.128323 22.044335 C 2.899679 8.517670 22.304297 C 3.599733 9.186767 21.298493 H 4.620396 9.504480 21.481425 C 3.025838 9.452619 20.060946 H 3.595148 9.972155 19.296358 C 1.724676 9.044103 19.809521 H 1.281189 9.237241 18.836494 C 0.977784 8.383261 20.785506 C 3.562080 8.238090 23.647985 H 3.278337 7.226783 23.952130 C 3.078792 9.195754 24.746784 H 3.626123 8.997415 25.673950 H 2.015346 9.069531 24.958492 H 3.256215 10.238689 24.460265 C 5.093752 8.264135 23.594623 H 5.481396 9.287342 23.521983 H 5.484501 7.696303 22.744522 H 5.493780 7.818757 24.509325 C -0.429879 7.910909 20.451336 H -0.903304 7.558750 21.371634 C -0.373211 6.722384 19.484898 H 0.085022 7.013091 18.533463 H -1.378854 6.343227 19.276814 H 0.224799 5.900147 19.895674 C -1.311198 9.028326 19.880046 H -0.960530 9.358762 18.896576 H -1.323834 9.901975 20.538015 H -2.340335 8.674908 19.760216 C 3.796329 4.698901 18.924611 C 3.658766 3.268452 18.833804 C 4.813724 2.672882 19.428296 C 5.685773 3.736269 19.864623 C 5.059717 4.980369 19.551302 C 5.115787 1.205541 19.491037 H 5.747579 0.967056 20.348644 H 5.633092 0.873538 18.582683 H 4.204879 0.612412 19.598580 C 2.522877 2.525454 18.198032 H 2.336217 1.576796 18.711020 H 2.735350 2.296604 17.147981 H 1.597630 3.106649 18.237637 C 2.887333 5.719005 18.310352 H 1.877904 5.322225 18.186124 H 3.256684 6.012562 17.319991 H 2.816404 6.618412 18.926998 C 5.636745 6.343018 19.788242 H 4.848411 7.091741 19.901131 H 6.284564 6.648946 18.958796 H 6.240330 6.362721 20.701393 C 7.070032 3.566524 20.412936 H 7.165906 2.636098 20.975958 H 7.338526 4.387901 21.081451 H 7.804001 3.544355 19.598564 C 2.222129 2.826102 21.664561 H 1.796319 2.099621 20.941326 O 1.601580 2.796236 22.806746 C 4.005001 4.934789 22.612487 H 4.821112 5.681858 22.559538 O 3.411045 4.945170 23.769292 3-Rh_bisanion.log SCF (wB97x) = -728.343052923 Rh 3.389942 3.803311 21.407784 C 3.359380 4.321683 18.837309 C 3.358192 2.905662 18.951251 C 4.581220 2.502478 19.553514 C 5.337005 3.677883 19.818904 C 4.581222 4.800113 19.376353 C 5.031931 1.087471 19.778776 H 5.711584 1.023299 20.634803 H 5.557119 0.655873 18.906807 H 4.183621 0.433419 20.006632 C 2.227048 2.011951 18.534375 H 2.544169 0.963578 18.481107 H 1.831368 2.282075 17.544361 H 1.388390 2.060883 19.249818 C 2.250132 5.135230 18.235935 H 1.270965 4.725596 18.509906 H 2.289596 5.174377 17.132212 H 2.272753 6.168488 18.599176 C 5.039476 6.224803 19.476874 H 4.209874 6.921286 19.310607 H 5.831492 6.476453 18.750783 H 5.436940 6.433383 20.479877 C 6.714330 3.755603 20.408302 H 6.985236 2.817041 20.904457 H 6.767206 4.545018 21.170426 H 7.494349 3.969108 19.657076 C 1.765907 3.166490 22.179077 H 1.185016 2.683316 21.275151 O 1.138202 3.080131 23.237411 C 4.085495 4.729414 22.920864 H 5.030253 5.303289 22.521469 O 3.895809 4.917689 24.124579 3-Rh.log SCF (wB97x) = -3280.51728822 E(SCF)+ZPE(0 K)= -3278.962468 H(298 K)= -3278.871588 G(298 K)= -3279.084924 Lowest Frequency = 11.5814cm-1 Rh 3.690738 3.865611 21.043041 Ca 3.654008 2.610191 23.956316 Ca 1.297583 5.114965 22.937600 N 4.362166 2.923614 26.164893 C 4.432118 2.025314 27.135424 C 4.071700 0.665976 27.013010 H 4.147934 0.092251 27.929794 C 3.850795 -0.106594 25.856096 N 3.707421 0.388192 24.638118 C 5.021948 2.412057 28.481460 H 6.115219 2.378844 28.415263 H 4.711530 1.715285 29.261699 H 4.754367 3.427229 28.777726 C 3.889306 -1.609796 26.065938 H 3.335317 -2.149229 25.296414 H 3.490224 -1.872579 27.047807 H 4.928107 -1.956667 26.027744 C 4.886191 4.226358 26.406217 C 6.240437 4.493139 26.132718 C 6.751976 5.760097 26.422305 H 7.800763 5.969938 26.228989 C 5.942894 6.755839 26.948303 H 6.357136 7.730502 27.187587 C 4.586023 6.509535 27.124751 H 3.945307 7.307835 27.486382 C 4.031723 5.265203 26.832960 C 7.133825 3.466777 25.451575 H 6.573246 2.528199 25.375449 C 7.461590 3.942586 24.027001 H 6.552089 4.060414 23.425207 H 8.116875 3.234995 23.510548 H 7.963676 4.915734 24.046711 C 8.413751 3.167025 26.239228 H 9.059758 4.048529 26.309958 H 8.988541 2.375021 25.747466 H 8.183972 2.838983 27.257143 C 2.532144 5.046387 26.952471 H 2.284256 4.214822 26.284328 C 2.115707 4.632123 28.369569 H 2.443550 5.379795 29.100334 H 2.544336 3.667501 28.653735 H 1.026117 4.550219 28.437591 C 1.718404 6.262230 26.498129 H 0.654125 6.016686 26.442338 H 2.034610 6.612820 25.512420 H 1.813564 7.104483 27.191759 C 3.774299 -0.460696 23.500345 C 2.602320 -0.772540 22.773534 C 2.727307 -1.531634 21.607814 H 1.837018 -1.787012 21.042757 C 3.965026 -1.968717 21.153464 H 4.035552 -2.556890 20.243657 C 5.110448 -1.642767 21.865662 H 6.079081 -1.972054 21.499680 C 5.038259 -0.890976 23.038006 C 1.231089 -0.324103 23.258723 H 1.347208 0.662005 23.710952 C 0.674888 -1.254566 24.345426 H -0.331407 -0.928682 24.630000 H 1.297030 -1.242166 25.243635 H 0.610958 -2.287053 23.983178 C 0.205795 -0.167513 22.132547 H -0.142328 -1.137377 21.757508 H 0.614148 0.395455 21.288040 H -0.663825 0.376654 22.506430 C 6.319099 -0.506277 23.764691 H 6.050423 -0.097268 24.741861 C 7.051679 0.603521 23.001823 H 7.940054 0.933873 23.550289 H 6.406647 1.477190 22.847130 H 7.371954 0.255336 22.013024 C 7.247248 -1.701832 24.008567 H 7.650209 -2.102701 23.072569 H 6.720770 -2.513954 24.518484 H 8.097494 -1.401555 24.629216 N -0.782032 4.968348 24.000878 C -1.464532 5.972664 24.538555 C -1.089355 7.331189 24.501208 H -1.755759 7.995361 25.038930 C -0.123870 7.996878 23.716473 N 0.827962 7.402150 23.017600 C -2.783902 5.684622 25.232455 H -3.476793 5.190807 24.544424 H -3.248918 6.598448 25.602302 H -2.638794 5.000306 26.072455 C -0.299366 9.503272 23.637278 H 0.629963 10.018097 23.390931 H -0.687295 9.894711 24.579921 H -1.028320 9.742668 22.855411 C -1.419654 3.692325 23.928680 C -2.088825 3.343533 22.736492 C -2.795233 2.141945 22.677845 H -3.337218 1.885245 21.771583 C -2.808513 1.263153 23.751106 H -3.364407 0.332672 23.693376 C -2.066902 1.568873 24.883229 H -2.034936 0.858194 25.704538 C -1.362083 2.768308 24.992946 C -2.037528 4.224814 21.497045 H -1.401389 5.088378 21.722542 C -1.407896 3.455156 20.325537 H -0.405173 3.097835 20.585024 H -1.330885 4.086131 19.435461 H -2.005639 2.577561 20.059898 C -3.416192 4.786290 21.131093 H -4.122102 3.983502 20.892515 H -3.348629 5.442982 20.257076 H -3.832718 5.366157 21.960246 C -0.510816 3.002637 26.231049 H -0.131303 4.027467 26.187173 C -1.295074 2.845015 27.539807 H -1.661042 1.821052 27.667156 H -2.160027 3.513480 27.580748 H -0.652592 3.067790 28.397215 C 0.691244 2.047599 26.211583 H 1.373294 2.227511 27.046792 H 1.245677 2.157128 25.275784 H 0.365355 1.003317 26.260220 C 1.567506 8.142921 22.053275 C 2.903376 8.530798 22.313762 C 3.604748 9.199163 21.308468 H 4.626177 9.514333 21.491163 C 3.031179 9.466386 20.071244 H 3.601621 9.984478 19.306577 C 1.728971 9.061348 19.819977 H 1.285581 9.256893 18.847421 C 0.980404 8.401639 20.795492 C 3.564503 8.252045 23.658311 H 3.278279 7.242239 23.964781 C 3.082196 9.213240 24.754390 H 3.627498 9.015933 25.682997 H 2.017910 9.090435 24.964293 H 3.262674 10.254949 24.465577 C 5.096196 8.272512 23.605918 H 5.487376 9.293983 23.528797 H 5.485068 7.699255 22.758612 H 5.494198 7.830002 24.522819 C -0.430083 7.937303 20.461592 H -0.903369 7.581451 21.380592 C -0.381924 6.754985 19.487301 H 0.078227 7.047663 18.537498 H -1.390362 6.384238 19.277488 H 0.210453 5.926062 19.892554 C -1.306823 9.063172 19.899599 H -0.956973 9.397283 18.917119 H -1.312564 9.933134 20.562533 H -2.338269 8.716279 19.780580 C 3.758970 4.667104 18.910490 C 3.626833 3.238653 18.850035 C 4.789437 2.656925 19.441376 C 5.654104 3.728338 19.857842 C 5.016309 4.963262 19.532590 C 5.095104 1.190582 19.521106 H 5.757238 0.966223 20.360002 H 5.581868 0.838751 18.602899 H 4.189404 0.597292 19.669433 C 2.491021 2.476744 18.236681 H 2.300660 1.544824 18.779552 H 2.704591 2.210271 17.195455 H 1.565562 3.059371 18.252023 C 2.837104 5.674068 18.292256 H 1.829037 5.269581 18.177815 H 3.194343 5.963414 17.295848 H 2.763097 6.580354 18.899329 C 5.586951 6.331460 19.753933 H 4.797301 7.082982 19.836890 H 6.252087 6.623721 18.932843 H 6.173849 6.371307 20.678007 C 7.042241 3.580265 20.404705 H 7.156544 2.649545 20.964947 H 7.298778 4.404128 21.075820 H 7.779072 3.573355 19.592163 C 2.212637 2.837076 21.674755 H 1.781447 2.119109 20.944506 O 1.603397 2.800463 22.814654 C 4.012071 4.932194 22.592182 H 4.828803 5.678265 22.507193 O 3.444958 4.957736 23.754027