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
