%chk=000206252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206252

0 1
S -0.650150 -1.229536 -0.658877
O -0.893291 -0.979611 -2.060479
O -0.759175 -2.586961 -0.156438
N -1.795640 -0.295423 0.250425
N -1.083951 1.954477 -0.400271
C 0.856264 -0.549514 -0.185455
C 1.131951 0.794216 -0.474995
C 0.102199 1.635293 -1.194363
C -1.902589 1.126931 0.173896
C 1.801852 -1.338828 0.477366
C 2.365810 1.343297 -0.099206
C -2.845391 -1.064355 0.965128
C -3.078868 1.750963 0.877494
C 3.031432 -0.791323 0.848743
C 3.309539 0.550220 0.558765
H 0.532418 2.631241 -1.475193
H -0.177680 1.157210 -2.174774
H 1.576506 -2.388010 0.704973
H 2.585104 2.389112 -0.312018
H -3.821460 -0.991726 0.456857
H -2.956962 -0.708830 2.003096
H -2.573555 -2.139362 1.021150
H -3.071507 1.535567 1.954023
H -4.031349 1.403857 0.454671
H -3.063439 2.850757 0.770191
H 3.769996 -1.404392 1.362432
H 4.269336 0.980329 0.850560


%chk=000206252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206252

0 1
S -0.683098 -1.298604 -0.731458
O -0.978852 -1.077457 -2.314914
O -0.780360 -2.800013 -0.110665
N -1.845551 -0.247018 0.348885
N -1.098795 1.997906 -0.411683
C 0.955660 -0.537649 -0.200983
C 1.157350 0.823096 -0.500384
C 0.098056 1.658001 -1.217121
C -1.912184 1.167962 0.190828
C 1.867705 -1.369519 0.460106
C 2.392563 1.370495 -0.073050
C -2.906133 -1.055828 0.981287
C -3.106805 1.794938 0.910053
C 3.094316 -0.791963 0.864899
C 3.350029 0.572935 0.597092
H 0.556271 2.617430 -1.510821
H -0.206089 1.135739 -2.148971
H 1.622796 -2.418594 0.653843
H 2.597329 2.428269 -0.272890
H -3.866594 -1.009223 0.434847
H -3.056230 -0.720324 2.021660
H -2.563188 -2.105864 1.011149
H -3.068766 1.610266 1.999098
H -4.065735 1.398286 0.531226
H -3.062944 2.877458 0.727820
H 3.837177 -1.404113 1.385910
H 4.299471 1.018986 0.911938


