%chk=000232247.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232247

0 1
S -3.364539 1.739808 -0.558383
N 1.905607 0.624163 0.172329
N -0.910125 1.232693 0.423268
C 1.028516 0.726240 -1.042702
C 1.111623 0.124084 1.340855
C -0.118196 1.714902 -0.756644
C -0.022137 1.127988 1.631338
C 3.102930 -0.158952 -0.100265
C -2.078428 2.099221 0.694916
C 4.248497 0.539014 -0.557211
C 3.165482 -1.546992 0.105790
C 5.429343 -0.180897 -0.790403
C 4.225556 2.012564 -0.800367
C 4.353813 -2.243076 -0.125637
C 5.486146 -1.560223 -0.575080
C -4.039609 0.175574 -0.109144
C -5.432971 0.084740 -0.042047
C -3.226523 -0.938663 0.101991
C -6.020136 -1.153370 0.238122
C -3.823739 -2.170077 0.392540
C -5.216974 -2.278232 0.457703
H 0.611807 -0.258804 -1.347766
H 1.642074 1.102046 -1.889205
H 1.788447 0.060218 2.220016
H 0.679453 -0.887339 1.175181
H 0.294586 2.736071 -0.606818
H -0.792320 1.753095 -1.641820
H -0.628824 0.755061 2.483817
H 0.412731 2.106377 1.930890
H -1.892103 3.192166 0.613705
H -2.485250 1.897214 1.708046
H 2.285040 -2.090365 0.443888
H 6.316651 0.344068 -1.141371
H 5.205917 2.477387 -0.640816
H 3.913942 2.236608 -1.829645
H 3.510667 2.520348 -0.131144
H 4.393636 -3.317518 0.041211
H 6.412890 -2.100084 -0.758171
H -6.059338 0.962082 -0.204279
H -2.137179 -0.850868 0.043287
H -7.103882 -1.239992 0.288314
H -3.201219 -3.046387 0.562432
H -5.677860 -3.239195 0.678781


%chk=000232247-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000232247

0 1
S -3.393016 1.939145 -0.480778
N 1.908755 0.390771 0.173046
N -0.831102 1.214884 0.505628
C 1.058433 0.705546 -1.005621
C 1.092701 -0.142189 1.283902
C -0.028232 1.723953 -0.629276
C 0.014697 0.883836 1.679946
C 3.188274 -0.210498 -0.072543
C -2.000477 2.027522 0.825110
C 4.213677 0.536876 -0.742966
C 3.479116 -1.525770 0.388671
C 5.469232 -0.081982 -0.956623
C 4.007801 1.982815 -1.159456
C 4.744168 -2.112603 0.176241
C 5.745992 -1.394868 -0.512504
C -4.158781 0.303769 -0.107717
C -5.569123 0.204849 -0.196523
C -3.381375 -0.836026 0.212839
C -6.200799 -1.038820 0.032985
C -4.025923 -2.069144 0.463922
C -5.433288 -2.178443 0.369829
H 0.567759 -0.221488 -1.384691
H 1.682164 1.110234 -1.817013
H 1.747978 -0.335268 2.151516
H 0.583603 -1.097644 1.007450
H 0.454808 2.701154 -0.377478
H -0.708284 1.880798 -1.486679
H -0.627657 0.452498 2.470797
H 0.519994 1.789988 2.094710
H -1.795274 3.121298 0.874217
H -2.432811 1.695138 1.783061
H 2.703203 -2.103210 0.901767
H 6.255884 0.494260 -1.460189
H 4.966678 2.529878 -1.144292
H 3.599853 2.076624 -2.185646
H 3.301158 2.485679 -0.474753
H 4.939861 -3.128622 0.537935
H 6.731144 -1.840586 -0.687590
H -6.164861 1.093202 -0.432905
H -2.290451 -0.744468 0.251496
H -7.291858 -1.111252 -0.040110
H -3.423392 -2.949625 0.716044
H -5.926226 -3.139512 0.553745


