%chk=000183091.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183091

0 1
S -0.371136 1.358134 0.938584
O 1.247969 -1.155548 -0.139876
O 2.314108 2.821369 0.983381
O -0.899248 2.643435 0.557706
O -0.073539 1.042161 2.308259
N 1.081122 1.138433 -0.009422
N -3.226160 -0.435101 -1.213595
C 1.317371 0.034023 -0.958070
C 2.754768 0.230570 -1.505810
C 3.360013 1.401163 -0.723723
C 2.269218 1.909403 0.200431
C -1.431004 0.150666 0.296752
C 1.096400 -2.400536 -0.875683
C -1.420566 -1.146403 0.818087
C -2.357792 0.475217 -0.708819
C 1.298993 -3.476580 0.174524
C -2.321009 -2.090678 0.312674
C -3.206447 -1.697951 -0.702105
H 0.537132 -0.012876 -1.749020
H 2.742015 0.432573 -2.589755
H 3.346294 -0.692440 -1.356615
H 3.709363 2.217393 -1.384562
H 4.241344 1.094270 -0.126081
H 0.083990 -2.417915 -1.317334
H 1.857662 -2.448830 -1.673398
H -0.707910 -1.419069 1.608158
H -2.419429 1.496073 -1.125503
H 1.405082 -4.468313 -0.278807
H 2.204850 -3.275214 0.767650
H 0.466561 -3.513669 0.887852
H -2.342141 -3.104827 0.704731
H -3.933374 -2.399131 -1.133209


%chk=000183091-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183091

0 1
S -0.413943 1.485346 0.967527
O 1.474493 -1.184872 -0.067197
O 2.418645 2.873169 0.992405
O -1.024307 2.918171 0.530397
O -0.135252 1.114211 2.517794
N 1.141937 1.172938 -0.067487
N -3.256880 -0.474273 -1.333670
C 1.331595 0.008471 -0.922707
C 2.646827 0.380011 -1.674505
C 3.413466 1.291984 -0.687183
C 2.322187 1.915071 0.199344
C -1.545296 0.137562 0.248624
C 1.333059 -2.450951 -0.817030
C -1.579821 -1.107203 0.895331
C -2.382228 0.452563 -0.835442
C 1.462166 -3.592611 0.190383
C -2.493421 -2.057262 0.384098
C -3.296746 -1.698830 -0.725895
H 0.477175 -0.143844 -1.613849
H 2.391920 0.932077 -2.596124
H 3.206141 -0.527585 -1.954986
H 3.999029 2.087692 -1.173497
H 4.092231 0.719397 -0.030072
H 0.343502 -2.471315 -1.325399
H 2.122679 -2.523484 -1.594946
H -0.933096 -1.306206 1.755151
H -2.376264 1.443972 -1.299812
H 1.375375 -4.568323 -0.321056
H 2.439093 -3.549667 0.700957
H 0.671563 -3.527262 0.957538
H -2.587391 -3.048356 0.837726
H -4.013937 -2.410788 -1.149016


