%chk=000210272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210272

0 1
S -4.330977 0.575731 1.233095
S -5.033585 -0.613545 -0.290226
O -3.871130 -1.820411 -0.182831
O -6.257372 -1.228570 0.100899
O -4.834186 0.034505 -1.540155
N -0.447297 0.976134 0.093086
C 3.336535 0.250725 0.167323
C 3.488598 -1.175518 -0.400315
C 4.511834 1.134744 -0.301588
C 4.834001 -1.791383 0.007482
C 5.859226 0.522080 0.104329
C 6.008292 -0.907289 -0.435233
C 1.998468 0.885573 -0.259885
C 0.802583 0.233713 0.450754
C -1.668778 0.299668 0.631652
C -2.820638 1.295487 0.511871
H 3.367562 0.193022 1.282862
H 3.407906 -1.151737 -1.503395
H 2.660299 -1.815866 -0.046355
H 4.417727 2.149207 0.127451
H 4.474208 1.260652 -1.399953
H 4.934393 -2.800175 -0.434109
H 4.865203 -1.932679 1.104803
H 5.951867 0.517247 1.207346
H 6.686186 1.154159 -0.269253
H 1.879889 0.819946 -1.357552
H 2.008151 1.970885 -0.027715
H 6.962629 -1.344617 -0.088620
H 6.063410 -0.885405 -1.540477
H 0.933246 0.304824 1.554027
H 0.751579 -0.848916 0.202335
H -0.523175 1.055854 -0.928017
H -1.494860 0.037172 1.700601
H -1.908902 -0.657400 0.109785
H -2.994619 1.615042 -0.536831
H -2.601971 2.225283 1.083172
H -4.183301 -2.740543 -0.195962


%chk=000210272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210272

0 1
S -4.358548 0.710705 1.407511
S -5.278362 -0.595648 -0.500378
O -4.915541 -2.288612 0.191572
O -6.876044 -0.509729 -0.741541
O -4.283942 -0.346663 -1.762307
N -0.407102 0.798708 0.201629
C 3.445548 0.267954 0.211275
C 3.613256 -1.152655 -0.391936
C 4.591263 1.190427 -0.284083
C 5.009107 -1.752726 -0.096147
C 5.989820 0.596922 0.010270
C 6.139294 -0.820268 -0.591117
C 2.062425 0.888726 -0.115765
C 0.882809 0.205956 0.605213
C -1.615539 0.293646 0.866063
C -2.802180 1.200205 0.497439
H 3.537397 0.182793 1.317981
H 3.470187 -1.086038 -1.491991
H 2.828537 -1.833973 -0.009061
H 4.495488 2.190003 0.185103
H 4.480849 1.340338 -1.379644
H 5.099291 -2.750565 -0.567755
H 5.116589 -1.905539 0.998104
H 6.139260 0.542983 1.108839
H 6.776832 1.267523 -0.386351
H 1.900683 0.838852 -1.214790
H 2.059358 1.962636 0.156044
H 7.128636 -1.244452 -0.331611
H 6.098324 -0.752928 -1.698261
H 0.990079 0.336648 1.700785
H 0.900595 -0.893462 0.412611
H -0.508106 0.897297 -0.817448
H -1.445721 0.321608 1.959786
H -1.867572 -0.761050 0.604598
H -3.026541 1.127084 -0.587815
H -2.601945 2.261762 0.735034
H -5.535482 -2.930868 -0.267453


