%chk=000267900.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267900

0 1
S -1.198328 0.028740 -0.107014
O 4.629230 -2.968196 -0.723115
N 3.901296 0.989013 -0.209349
N 4.096976 -0.435459 -0.074709
N 1.694045 -0.843857 -0.364001
N 2.395667 2.751951 0.386162
N -0.006870 2.393510 0.346556
C 1.474548 0.530222 -0.076883
C 2.575255 1.436734 0.079347
C 2.933627 -1.241880 -0.413027
C 0.187195 1.066894 0.066375
C -2.616507 1.144008 0.162941
C -3.806742 0.257693 0.012379
C 3.225783 -2.692250 -0.759076
C -4.345218 -0.398397 1.131452
C -4.396657 0.075410 -1.249204
C 1.092725 3.174582 0.494697
C -5.463450 -1.223464 0.987657
C -5.514625 -0.751182 -1.385823
C -6.050509 -1.400951 -0.269267
C 5.135021 -3.338282 0.579710
H 4.630954 1.478020 0.347572
H -2.599711 1.979136 -0.566409
H -2.552024 1.622680 1.160887
H 4.921782 -0.694694 -0.663973
H 2.964943 -2.889205 -1.823201
H 2.651516 -3.379343 -0.108533
H -3.889742 -0.267982 2.111974
H -3.981076 0.574867 -2.123272
H 0.939565 4.240796 0.730872
H -5.877639 -1.730337 1.857827
H -5.968598 -0.890029 -2.365820
H -6.921456 -2.043921 -0.378458
H 6.207790 -3.462221 0.386519
H 4.687417 -4.282502 0.902542
H 4.955817 -2.542804 1.309864


%chk=000267900-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267900

0 1
S -1.128246 -0.194300 -0.263147
O 4.939501 -2.909400 -0.660443
N 3.952619 1.049031 -0.069442
N 4.199760 -0.367092 -0.225205
N 1.852346 -0.891395 -0.437313
N 2.376017 2.737434 0.410932
N -0.015458 2.280259 0.298364
C 1.571815 0.480308 -0.139558
C 2.605304 1.440733 0.074119
C 3.128436 -1.214586 -0.496244
C 0.249894 0.963503 -0.018248
C -2.600358 1.003533 0.037682
C -3.886618 0.216311 -0.024801
C 3.538108 -2.610180 -0.957176
C -4.422302 -0.386243 1.143412
C -4.583973 0.065094 -1.251625
C 1.052002 3.085599 0.505016
C -5.629442 -1.117544 1.089068
C -5.791397 -0.666085 -1.309415
C -6.318209 -1.259559 -0.138510
C 5.147913 -3.357034 0.726630
H 4.613345 1.520064 0.557583
H -2.534568 1.782117 -0.736848
H -2.425452 1.469644 1.018523
H 5.105240 -0.616063 -0.637912
H 3.449364 -2.663389 -2.056698
H 2.841483 -3.347940 -0.514738
H -3.888137 -0.279870 2.095287
H -4.176383 0.522556 -2.161204
H 0.844511 4.123700 0.780409
H -6.032734 -1.573986 2.000085
H -6.320286 -0.771728 -2.263365
H -7.255545 -1.825674 -0.181932
H 6.227778 -3.548295 0.821756
H 4.586529 -4.291762 0.924559
H 4.839143 -2.580459 1.454601


