94
TADF 4CzIPN S_1 State Structure at LCY-PBE/TZP/GoodQuality level, E(S_1) = -33.67104691 a.u.
C         0.259927   -3.813459   -1.210458
C         0.911569   -3.441324   -0.038544
C         1.886352   -4.258319    0.571557
C         2.211142   -5.479231   -0.008247
C         1.565542   -5.858286   -1.176737
C         0.602263   -5.033797   -1.769425
C         2.344763   -3.549979    1.744062
C         1.628440   -2.337789    1.792209
N         0.770409   -2.274409    0.694126
C         3.261047   -3.844552    2.748300
C         3.443112   -2.932133    3.777529
C         2.712315   -1.741238    3.815739
C         1.790230   -1.427753    2.827291
C        -0.044991   -1.194713    0.325992
C        -1.482458   -1.323413    0.357620
C        -2.280943   -0.226674    0.007593
C        -1.710151    1.008454   -0.335856
C        -0.274828    1.150777   -0.283075
C         0.505645    0.045606    0.029644
C        -2.493125    2.045780   -0.867175
N        -3.115078    2.928005   -1.304518
N        -3.670088   -0.364082   -0.000337
N         1.913512    0.197639    0.042855
C         2.801991   -0.464183   -0.787968
C         4.110136   -0.021393   -0.500332
C         3.993544    0.955160    0.565414
C         2.621778    1.059668    0.869296
C         5.171461   -0.527497   -1.227820
C         4.910822   -1.461269   -2.230443
C         3.610177   -1.873516   -2.515864
C         2.528185   -1.373739   -1.804249
C         2.143688    1.870762    1.891168
C         3.076849    2.626595    2.590930
C         4.434266    2.551545    2.288568
C         4.905409    1.709633    1.280819
C        -2.059657   -2.493233    0.882751
N         0.333876    2.355869   -0.670013
H         1.083331    1.907277    2.138749
H         2.736693    3.283858    3.390742
H         5.142761    3.153596    2.857318
H         5.972815    1.645584    1.067931
H         3.435688   -2.597677   -3.311116
H         5.739371   -1.869573   -2.809064
H         6.192256   -0.200344   -1.028805
H         1.508347   -1.683283   -2.030907
H         1.204961   -0.509005    2.871586
H         2.863004   -1.045402    4.641596
H         4.157607   -3.148170    4.572059
H         3.821744   -4.780212    2.730551
H         2.962287   -6.127662    0.444783
H         1.808614   -6.814049   -1.641505
H         0.108408   -5.360184   -2.684886
H        -0.495962   -3.169841   -1.663746
N        -2.508063   -3.475379    1.317096
C         1.177448    2.547531   -1.765972
C         1.696774    3.855676   -1.719869
C         1.122665    4.490181   -0.555026
C         0.283566    3.531051    0.053774
C        -0.433957    3.800975    1.216941
C         1.242048    5.748882    0.018692
C         2.564640    4.282308   -2.718139
C         1.481349    1.668298   -2.794761
C        -0.297242    5.063109    1.769064
C         0.529765    6.025680    1.178698
H        -1.084617    3.047353    1.663459
H        -0.847514    5.313868    2.675931
H         0.612466    7.010791    1.638266
H         1.884405    6.507377   -0.430261
C         2.894371    3.401688   -3.740294
C         2.354553    2.114304   -3.778476
H         2.975859    5.292553   -2.702340
H         3.574831    3.721024   -4.529750
H         2.616406    1.445817   -4.598992
H         1.039392    0.672762   -2.838723
C        -4.391197   -1.318727   -0.721183
C        -5.764238   -1.121695   -0.484247
C        -5.879878   -0.007646    0.427820
C        -4.573507    0.439745    0.698752
C        -4.322138    1.484501    1.577945
C        -6.961269    0.619927    1.036932
C        -6.694911   -1.936700   -1.119731
C        -3.928704   -2.296964   -1.591094
C        -6.241429   -2.925241   -1.979707
C        -4.874065   -3.097852   -2.212972
H        -2.863208   -2.434691   -1.775086
H        -4.541663   -3.879203   -2.896819
H        -6.957383   -3.574079   -2.484624
H        -7.762978   -1.796152   -0.948196
C        -5.415022    2.095526    2.173131
C        -6.720475    1.673731    1.905177
H        -3.305454    1.815790    1.789279
H        -5.250503    2.923269    2.863376
H        -7.556746    2.178129    2.389764
H        -7.980165    0.284424    0.838838
