%chk=000208146.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208146

0 1
S 1.856347 0.317324 1.906288
N -1.694745 -0.778376 -0.165666
N -4.380596 -1.707181 0.410167
N -1.177020 4.178854 -1.459915
C -2.484767 -0.210154 0.978311
C -2.087042 -2.203297 -0.406053
C -3.987187 -0.278460 0.643603
C -3.592269 -2.263329 -0.738278
C -0.287901 -0.491734 -0.117693
C 0.001549 0.968514 0.002009
C -5.844699 -1.807365 0.135069
C 0.667907 -1.430286 -0.306674
C 0.937171 1.450114 0.927669
C 2.114880 -1.219321 -0.347912
C -0.672886 1.875917 -0.822851
C 2.787251 -0.475296 0.633886
C 1.180975 2.818875 1.065129
C -0.429143 3.259277 -0.690577
C 2.882669 -1.842088 -1.352699
C 0.496866 3.732311 0.267445
C 4.176889 -0.352621 0.640699
C 4.272421 -1.721486 -1.354262
C 4.924059 -0.985813 -0.355929
H -2.194247 0.849648 1.146721
H -2.280705 -0.762528 1.923610
H -1.869474 -2.850803 0.473385
H -1.509516 -2.597614 -1.270382
H -4.568624 0.104281 1.510077
H -4.210419 0.382214 -0.221986
H -3.786414 -1.733580 -1.696133
H -3.888677 -3.324725 -0.880665
H -6.398740 -1.435423 1.012339
H -6.114195 -2.869152 0.014734
H -6.192058 -1.258370 -0.752218
H 0.398485 -2.483742 -0.423253
H -1.395278 1.505792 -1.549740
H 1.911614 3.175732 1.794764
H 2.384357 -2.415927 -2.131166
H 0.673114 4.797668 0.383416
H 4.677251 0.231236 1.414007
H 4.856350 -2.204487 -2.136636
H 6.008339 -0.903831 -0.359450
H -1.585630 3.827870 -2.313819
H -0.783260 5.101358 -1.572371


%chk=000208146-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208146

0 1
S 2.181245 0.572721 1.934238
N -1.628138 -0.785029 -0.002671
N -4.380302 -1.656826 0.237982
N -1.485868 4.125661 -1.372538
C -2.505767 -0.285261 1.091277
C -2.036525 -2.125583 -0.465818
C -3.978898 -0.295215 0.658268
C -3.522118 -2.122091 -0.873248
C -0.244494 -0.444373 0.055933
C 0.014261 1.029479 0.135183
C -5.817410 -1.754943 -0.077338
C 0.734278 -1.405552 -0.128382
C 1.065750 1.606840 0.897972
C 2.195533 -1.263906 -0.234639
C -0.821803 1.892851 -0.621323
C 2.983184 -0.405988 0.591438
C 1.251432 3.008127 0.900117
C -0.646753 3.301804 -0.618022
C 2.900841 -2.104292 -1.149890
C 0.404931 3.858160 0.166597
C 4.390282 -0.360702 0.477687
C 4.304773 -2.074517 -1.258392
C 5.059158 -1.195708 -0.444697
H -2.199712 0.737696 1.361410
H -2.390682 -0.930368 1.991044
H -1.876948 -2.896498 0.323589
H -1.429638 -2.401316 -1.346821
H -4.610590 0.015170 1.511442
H -4.123463 0.450261 -0.167681
H -3.642152 -1.476480 -1.782720
H -3.820699 -3.151678 -1.146668
H -6.412101 -1.450564 0.802633
H -6.075253 -2.802216 -0.317299
H -6.127721 -1.115373 -0.942933
H 0.390889 -2.437437 -0.271950
H -1.613684 1.436988 -1.227236
H 2.072003 3.430480 1.489159
H 2.320632 -2.782097 -1.788063
H 0.561155 4.943389 0.189098
H 4.954989 0.319717 1.123551
H 4.810813 -2.731471 -1.974819
H 6.151467 -1.164990 -0.521707
H -2.216412 3.729732 -1.956149
H -1.347484 5.131393 -1.390613


