94 TADF 4CzIPN Ground State Structure at LCY-PBE/TZP/GoodQuality level, E(GS) = -33.76472077 a.u. C 0.447826 3.918483 -1.014050 C -0.375361 3.575741 0.049050 C -1.286040 4.487715 0.609676 C -1.353151 5.784347 0.110342 C -0.521937 6.142271 -0.939387 C 0.363231 5.216149 -1.496964 C -2.010830 3.784320 1.641667 C -1.523504 2.465783 1.665877 N -0.525527 2.339682 0.692255 C -2.995709 4.168059 2.546346 C -3.467742 3.234542 3.455264 C -2.951166 1.936036 3.480772 C -1.963503 1.534062 2.594352 C 0.132455 1.168776 0.329610 C 1.538963 1.152386 0.350770 C 2.251151 -0.000023 0.000273 C 1.539172 -1.152555 -0.350251 C 0.132671 -1.169243 -0.328956 C -0.581516 -0.000334 0.000456 C 2.243696 -2.267308 -0.883781 N 2.822293 -3.158070 -1.344587 N 3.642065 0.000152 0.000194 N -1.976073 -0.000330 0.000247 C -2.792586 0.869679 -0.727617 C -4.137274 0.552625 -0.464068 C -4.137512 -0.553255 0.463489 C -2.792959 -0.870191 0.727882 C -5.147531 1.268563 -1.098035 C -4.800019 2.276621 -1.983649 C -3.458152 2.560162 -2.251879 C -2.434066 1.856336 -1.635282 C -2.434940 -1.856601 1.636018 C -3.459353 -2.560414 2.252083 C -4.801073 -2.277079 1.982908 C -5.148108 -1.269190 1.096918 C 2.243325 2.267347 0.884082 N -0.525048 -2.340122 -0.692185 H -1.393111 -2.081569 1.866189 H -3.207443 -3.349189 2.961464 H -5.581097 -2.850587 2.484182 H -6.196008 -1.035534 0.903356 H -3.205864 3.349105 -2.960939 H -5.579775 2.850154 -2.485311 H -6.195533 1.034824 -0.905133 H -1.392103 2.081488 -1.864676 H -1.555492 0.524414 2.637121 H -3.325613 1.222219 4.214884 H -4.241785 3.517136 4.169073 H -3.382867 5.187820 2.543530 H -2.054347 6.504135 0.534708 H -0.559910 7.155321 -1.340125 H 1.003777 5.516860 -2.326183 H 1.140176 3.203209 -1.459825 N 2.821792 3.158286 1.344710 C -1.523374 -2.465868 -1.665488 C -2.010437 -3.784515 -1.641830 C -1.285042 -4.488375 -0.610580 C -0.374306 -3.576542 -0.049817 C 0.449472 -3.919762 1.012669 C -1.351659 -5.785317 -0.111984 C -2.995632 -4.167902 -2.546314 C -1.964021 -1.533645 -2.593149 C 0.365361 -5.217731 1.494855 C -0.519897 -6.143696 0.937159 H 1.141874 -3.204613 1.458560 H 1.006357 -5.518800 2.323597 H -0.557492 -7.156985 1.337324 H -2.052915 -6.504987 -0.536448 C -3.468253 -3.233927 -3.454458 C -2.951996 -1.935281 -3.479374 H -3.382571 -5.187748 -2.543963 H -4.242540 -3.516255 -4.168108 H -3.326954 -1.221086 -4.212856 H -1.556306 -0.523853 -2.635396 C 4.458795 0.871804 -0.728452 C 5.802721 0.553280 -0.464544 C 5.802931 -0.551773 0.465380 C 4.459128 -0.871029 0.729040 C 4.099641 -1.868666 1.623518 C 6.813424 -1.270515 1.097243 C 6.812936 1.272587 -1.096209 C 4.098920 1.869266 -1.622969 C 6.464112 2.284119 -1.976481 C 5.121931 2.573590 -2.238877 H 3.054407 2.091597 -1.843460 H 4.871950 3.367133 -2.943223 H 7.243214 2.858595 -2.477632 H 7.860976 1.039138 -0.904434 C 5.122925 -2.572410 2.239637 C 6.464995 -2.282210 1.977483 H 3.055213 -2.091580 1.843815 H 4.873247 -3.366073 2.943954 H 7.244319 -2.856243 2.478795 H 7.861370 -1.036487 0.905660