%chk=000198441.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198441

0 1
S 0.876589 -0.134897 2.256311
S -1.781600 0.638712 2.370827
S 3.727860 0.846551 0.592240
P 2.042442 -0.044270 0.530366
O 2.084445 -1.628826 0.060694
O 0.850983 0.530917 -0.445433
O -4.224567 1.611840 -0.015502
O -2.762029 -0.009179 -0.622552
C 3.381191 -2.240765 -0.228201
C 1.118945 0.648425 -1.880925
C -0.750725 -0.649744 1.632104
C 2.999116 -3.656611 -0.618743
C -0.220114 1.109581 -2.422452
C -3.420404 0.259234 1.710384
C -3.387423 0.554550 0.246653
C -4.281119 2.080179 -1.390386
H 4.011024 -2.214641 0.681388
H 3.873384 -1.696933 -1.055712
H 1.411149 -0.341276 -2.278274
H 1.920531 1.393953 -2.039131
H -0.990603 -1.664243 1.996252
H -0.851400 -0.660853 0.518091
H 2.468667 -4.163345 0.199800
H 2.317880 -3.662670 -1.480418
H 3.882111 -4.252923 -0.874276
H -1.045094 0.540915 -1.948968
H -0.407612 2.165436 -2.193151
H -0.292496 0.967087 -3.504772
H -3.721288 -0.790761 1.898436
H -4.154807 0.898974 2.252841
H -5.078491 2.830312 -1.353497
H -4.528523 1.249649 -2.058824
H -3.316319 2.523221 -1.656870


%chk=000198441-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198441

0 1
S 1.301929 0.079208 2.421259
S -1.612935 1.031334 2.377246
S 4.266844 0.783227 0.337600
P 2.315037 0.125024 0.363952
O 2.031666 -1.469495 -0.294346
O 1.077457 0.939116 -0.521615
O -4.267721 1.340521 -0.068555
O -2.725414 -0.343212 -0.547311
C 2.965334 -2.569200 0.078135
C 1.157485 0.970461 -2.019422
C -0.446990 -0.379402 1.885149
C 2.581241 -3.766799 -0.786367
C -0.170119 1.560853 -2.483266
C -3.244255 0.239978 1.793816
C -3.363130 0.342524 0.289182
C -4.409200 1.592476 -1.524110
H 2.842181 -2.785931 1.157109
H 4.005846 -2.240021 -0.106871
H 1.303138 -0.060585 -2.388952
H 2.022131 1.598173 -2.306288
H -0.733111 -1.298464 2.418212
H -0.476128 -0.519965 0.795038
H 1.532480 -4.058914 -0.608649
H 2.703507 -3.531462 -1.857192
H 3.231321 -4.626848 -0.540538
H -1.007113 0.920496 -2.156124
H -0.309413 2.573814 -2.068261
H -0.179434 1.627423 -3.587485
H -3.247009 -0.815945 2.108574
H -4.045655 0.794849 2.301753
H -5.192862 2.358533 -1.600573
H -4.701483 0.666416 -2.046854
H -3.453922 1.959417 -1.935948


