%chk=000290753.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290753

0 1
S -0.424046 0.301016 -0.996472
O -2.368145 2.700403 0.082169
O -1.516798 1.426316 1.716155
O -5.695131 0.026408 -0.193452
N -3.775708 0.868170 -1.090432
C 0.782775 -0.031190 0.350522
C 1.052667 -1.503613 0.438900
C 1.962236 0.828758 -0.002925
C -1.894965 -0.642337 -0.503840
C -2.934107 0.359098 0.005374
C 0.844375 -2.153265 1.667401
C 2.364991 1.826045 0.902150
C 1.485850 -2.249836 -0.667644
C 2.656629 0.674770 -1.212196
C -2.181477 1.496490 0.708017
C 1.068829 -3.527365 1.784119
C 3.450634 2.651036 0.600501
C 1.708421 -3.623510 -0.546732
C 3.740037 1.505735 -1.510767
C 1.500152 -4.265817 0.678010
C 4.139937 2.493898 -0.606554
C -5.163702 0.680039 -1.072985
H 0.320550 0.331726 1.315013
H -2.267472 -1.208207 -1.382153
H -1.651929 -1.401673 0.266137
H -3.607753 -0.137817 0.775385
H 0.512487 -1.586545 2.537236
H 1.830819 1.957978 1.843106
H 1.652152 -1.755630 -1.627573
H 2.356267 -0.098158 -1.923077
H -3.318518 1.488861 -1.756957
H 0.908022 -4.022713 2.740629
H 3.760341 3.418762 1.307911
H 2.045963 -4.195176 -1.409930
H 4.273635 1.380963 -2.451700
H 1.674712 -5.336010 0.770091
H 4.984858 3.138565 -0.840227
H -5.694059 1.141195 -1.920201
H -1.853427 3.437332 0.514189


%chk=000290753-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290753

0 1
S -0.519522 0.228152 -1.310843
O -3.208094 2.201730 1.346631
O -1.859558 0.466080 2.074680
O -5.812745 0.402481 -0.951385
N -3.590442 1.117326 -1.091586
C 0.808705 0.066988 0.113239
C 1.088657 -1.393041 0.442324
C 2.021390 0.884883 -0.316632
C -1.987361 -0.727537 -0.587042
C -3.092787 0.210595 -0.057838
C 0.513046 -1.954257 1.613563
C 2.701870 1.647845 0.667583
C 1.907679 -2.212774 -0.378122
C 2.520902 0.889128 -1.645029
C -2.632757 0.942663 1.211887
C 0.751788 -3.305119 1.957205
C 3.858347 2.388687 0.338135
C 2.142489 -3.560795 -0.036214
C 3.672697 1.636013 -1.977780
C 1.565883 -4.113430 1.133235
C 4.349216 2.384816 -0.987892
C -4.924361 1.150373 -1.448622
H 0.338128 0.540803 0.988945
H -2.390522 -1.342442 -1.406585
H -1.604650 -1.388468 0.206751
H -3.971847 -0.403876 0.240454
H -0.119749 -1.327555 2.253085
H 2.326948 1.654171 1.698328
H 2.367588 -1.793926 -1.278650
H 1.993051 0.327808 -2.424701
H -2.920102 1.763299 -1.517455
H 0.303133 -3.721815 2.866045
H 4.371695 2.969986 1.112302
H 2.779020 -4.181662 -0.676949
H 4.040770 1.634470 -3.009987
H 1.753412 -5.160041 1.398209
H 5.243529 2.962384 -1.247058
H -5.136026 1.906435 -2.235879
H -2.919317 2.604322 2.210848


