%chk=000208406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208406

0 1
S 0.039149 1.540485 -0.886087
S -0.036533 -1.630162 1.062403
O 2.448551 2.566177 -0.645123
N 2.162053 -1.302859 -0.258325
N 3.559175 1.251992 0.854457
C 1.131791 0.868339 0.428840
C 1.216202 -0.596006 0.326114
C -1.546320 0.949979 -0.395369
C 2.430098 1.621346 0.117828
C -2.226021 1.571768 0.655234
C -2.134472 -0.079870 -1.132717
C -3.518647 1.146439 0.976952
C -3.431670 -0.494630 -0.808859
C 0.795131 -3.050635 0.511057
C 1.923414 -2.690670 -0.166999
C -4.119710 0.115314 0.245048
H 0.758752 1.190098 1.436207
H -1.763762 2.386195 1.213696
H -1.595689 -0.556463 -1.953647
H -4.060047 1.621811 1.793161
H -3.903378 -1.293654 -1.378441
H 0.417301 -4.039296 0.707261
H 2.647680 -3.351088 -0.636746
H -5.128341 -0.210907 0.496161
H 3.639273 0.323611 1.243993
H 4.445321 1.661883 0.581400


%chk=000208406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208406

0 1
S -0.114440 0.243897 -1.178062
S 0.832378 -2.803395 1.030839
O 1.074183 2.349683 1.282406
N 2.836121 -1.411547 -0.025015
N 2.951662 1.351978 0.322391
C 0.851476 0.046881 0.505435
C 1.608271 -1.239877 0.460277
C -1.810946 0.640694 -0.567122
C 1.651192 1.351435 0.749859
C -2.029255 1.635700 0.416553
C -2.898956 -0.042103 -1.163042
C -3.354074 1.933113 0.810264
C -4.219933 0.284099 -0.778119
C 2.335678 -3.642727 0.539434
C 3.250293 -2.745963 0.014202
C -4.450366 1.266897 0.212646
H 0.054046 0.012833 1.263202
H -1.178097 2.170485 0.856252
H -2.714140 -0.821003 -1.910530
H -3.525817 2.699599 1.574129
H -5.062956 -0.239587 -1.242449
H 2.436230 -4.717014 0.674337
H 4.242065 -3.006124 -0.355394
H -5.474534 1.511168 0.515742
H 3.365737 0.480165 -0.042012
H 3.493482 2.209911 0.421277


