%chk=000217446.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217446

0 1
S 5.901520 0.476752 -0.532845
O -5.459110 1.209562 -0.552630
N 3.278979 0.091836 -0.130212
C 4.144189 0.786259 -1.103169
C 2.951778 -1.312449 -0.547248
C 3.905236 0.167287 1.223849
C 1.751231 -1.849058 0.250631
C 5.423398 -0.040212 1.148434
C 0.453495 -1.109117 -0.093600
C 3.900377 2.282479 -1.107616
C -0.734098 -1.639763 0.724446
C -2.001788 -0.918388 0.357931
C -2.305452 0.321096 0.955982
C -2.883389 -1.461658 -0.583083
C -3.469977 1.002481 0.626544
C -4.064503 -0.796249 -0.933287
C -4.343531 0.429751 -0.322092
C -6.431380 0.728398 -1.509846
H 4.045910 0.366689 -2.132488
H 2.698641 -1.304119 -1.630886
H 3.817209 -2.001328 -0.429865
H 3.428732 -0.568268 1.906278
H 3.669785 1.175416 1.635784
H 1.952079 -1.769616 1.337837
H 1.640165 -2.930750 0.040821
H 5.966254 0.567624 1.890911
H 5.714553 -1.092908 1.301139
H 0.586153 -0.022381 0.089271
H 0.235437 -1.200354 -1.174736
H 4.543006 2.793301 -1.835611
H 2.854258 2.504158 -1.365936
H 4.086771 2.747017 -0.130133
H -0.529299 -1.525471 1.808232
H -0.847839 -2.730599 0.564362
H -1.617138 0.751058 1.683587
H -2.653940 -2.416175 -1.055668
H -3.722270 1.959015 1.077416
H -4.735046 -1.234792 -1.663158
H -6.858850 -0.220509 -1.173928
H -5.979188 0.644134 -2.502036
H -7.183357 1.527853 -1.487480


%chk=000217446-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217446

0 1
S 6.036587 0.402566 -0.607887
O -5.558995 1.246723 -0.559970
N 3.318552 0.112247 -0.123170
C 4.129072 0.823895 -1.093135
C 3.017024 -1.305711 -0.485300
C 3.946517 0.267664 1.212171
C 1.787624 -1.866549 0.260341
C 5.460759 -0.123064 1.117688
C 0.475917 -1.124720 -0.072630
C 3.951700 2.345172 -1.103424
C -0.743460 -1.681599 0.712567
C -2.038345 -0.954512 0.380620
C -2.348014 0.294943 0.985045
C -2.952918 -1.471155 -0.567087
C -3.519485 1.000367 0.655695
C -4.137141 -0.778853 -0.915858
C -4.418892 0.464687 -0.300369
C -6.512856 0.736916 -1.545506
H 3.984077 0.400107 -2.100045
H 2.809869 -1.327031 -1.571524
H 3.900846 -1.962411 -0.312364
H 3.417878 -0.351646 1.955713
H 3.859997 1.320698 1.530349
H 1.959151 -1.840864 1.356243
H 1.689938 -2.939349 -0.006063
H 6.056776 0.412131 1.873572
H 5.613296 -1.209427 1.228390
H 0.601958 -0.047396 0.145126
H 0.271501 -1.200668 -1.160030
H 4.654095 2.802022 -1.821839
H 2.918061 2.602848 -1.403276
H 4.155015 2.789916 -0.115039
H -0.529051 -1.600556 1.797574
H -0.849441 -2.762450 0.490949
H -1.660881 0.718815 1.728105
H -2.741987 -2.436365 -1.044711
H -3.761721 1.960033 1.122696
H -4.820013 -1.214980 -1.651441
H -6.943271 -0.233338 -1.228220
H -6.042398 0.623840 -2.542078
H -7.308338 1.495053 -1.595975


