%chk=000214872.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214872

0 1
S -1.341803 -0.902603 -0.423070
O -5.030013 0.544245 0.134912
N -2.800858 1.347140 0.192325
N -0.500885 1.784252 0.013652
N 0.868952 1.483187 -0.169437
C -3.237805 -1.060002 -0.344368
C -3.699443 -2.131570 0.663006
C -3.787869 0.358927 0.017138
C -1.560031 0.909304 0.004007
C -3.319286 -3.567589 0.252244
C -0.771489 3.242059 0.057218
C 2.765052 0.016304 0.170688
C 1.357542 0.381482 0.373488
C 3.274212 -1.135423 0.832862
C 3.633094 0.781994 -0.660153
C 4.624801 -1.511826 0.676074
C 4.980062 0.403909 -0.811754
C 5.481641 -0.743054 -0.145258
H -3.579365 -1.316704 -1.363251
H -4.800597 -2.034738 0.733664
H -3.290136 -1.894278 1.663039
H -3.741750 -3.823026 -0.737633
H -2.221905 -3.694834 0.197281
H -3.707247 -4.298640 0.984066
H -1.684561 3.468939 -0.512081
H 0.108198 3.740940 -0.375211
H -0.918764 3.573161 1.099767
H 0.758498 -0.286095 1.015576
H 2.609195 -1.732113 1.469581
H 3.229695 1.659865 -1.174267
H 5.008009 -2.399877 1.189965
H 5.644037 0.995984 -1.451122
H 6.530221 -1.035114 -0.269647


%chk=000214872-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214872

0 1
S -1.327020 -0.877644 -0.433351
O -5.037273 0.512301 0.082932
N -2.826066 1.343983 0.178555
N -0.515633 1.801404 0.051427
N 0.850299 1.489840 -0.162306
C -3.221407 -1.063341 -0.378313
C -3.679906 -2.145341 0.619430
C -3.795346 0.345700 -0.016867
C -1.575348 0.927878 0.007148
C -3.272921 -3.574152 0.209326
C -0.751288 3.264067 0.086109
C 2.744835 0.025072 0.202753
C 1.344127 0.409509 0.416454
C 3.255770 -1.108364 0.894161
C 3.603959 0.756250 -0.667418
C 4.600430 -1.501146 0.726898
C 4.945117 0.362182 -0.829118
C 5.448721 -0.766652 -0.133740
H -3.546871 -1.320919 -1.402194
H -4.783198 -2.065162 0.675919
H -3.287290 -1.905185 1.625464
H -3.678495 -3.832701 -0.786793
H -2.173123 -3.684695 0.168445
H -3.659414 -4.313332 0.933755
H -1.835369 3.438132 0.100451
H -0.289177 3.714756 -0.808286
H -0.285919 3.693569 0.989098
H 0.750852 -0.225020 1.096591
H 2.596777 -1.678147 1.561034
H 3.198288 1.620279 -1.202770
H 4.985663 -2.375034 1.263003
H 5.602891 0.927437 -1.498397
H 6.492736 -1.071321 -0.266097


