%chk=000291923.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291923

0 1
S -6.034492 -1.009604 -0.160891
O -0.325766 -2.654654 -0.146239
O 2.899897 3.486264 1.026958
O -0.817198 -1.577153 1.666732
O 0.753303 3.424647 1.249209
O 4.467019 -2.070445 -1.067519
O 5.369295 -0.112700 -0.844015
N -0.582754 1.292096 0.611774
N -0.201698 -1.725770 0.629866
N 1.834198 2.906406 0.967553
N 4.435265 -0.890528 -0.766122
C 0.630328 0.697710 0.516271
C 0.830983 -0.718117 0.301609
C 1.833834 1.510684 0.536400
C -1.872317 0.662448 0.406446
C 2.046133 -1.216727 -0.145454
C 3.061076 0.979493 0.123177
C 3.157942 -0.359249 -0.268708
C -2.808752 0.681570 1.455024
C -2.191269 0.123917 -0.849079
C -4.077045 0.146054 1.238067
C -3.465511 -0.410575 -1.054738
C -4.399163 -0.398251 -0.015130
C -6.075870 -1.960889 -1.689499
H -0.634603 2.308962 0.878750
H 2.161273 -2.290395 -0.386135
H 3.962655 1.624246 0.103312
H -2.543318 1.089861 2.431521
H -1.460868 0.120775 -1.658728
H -4.807297 0.144971 2.051927
H -3.710891 -0.830648 -2.030771
H -5.314833 -2.750907 -1.712684
H -5.969156 -1.331492 -2.580145
H -7.061700 -2.449299 -1.739941


%chk=000291923-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291923

0 1
S -6.257779 -0.822153 -0.240138
O -0.014458 -2.940923 -0.165634
O 2.725920 3.651381 0.694173
O -0.723959 -1.751714 1.654283
O 0.599814 3.311198 1.433862
O 4.668941 -1.982725 -1.198562
O 5.501645 0.129254 -0.911079
N -0.586020 1.067076 0.860295
N 0.002849 -1.899568 0.598920
N 1.718457 2.877773 0.893641
N 4.552294 -0.744220 -0.846413
C 0.656289 0.571494 0.571453
C 0.953120 -0.813918 0.264468
C 1.810650 1.463402 0.511376
C -1.875703 0.531464 0.579693
C 2.192929 -1.236342 -0.219499
C 3.068294 1.034120 0.055798
C 3.241163 -0.299747 -0.340404
C -2.937039 0.853819 1.466298
C -2.155284 -0.195457 -0.605044
C -4.245143 0.430103 1.187107
C -3.466767 -0.622697 -0.881243
C -4.524340 -0.320713 0.012385
C -6.175262 -1.812757 -1.831857
H -0.538298 2.033608 1.250173
H 2.361440 -2.289782 -0.460085
H 3.898684 1.743417 0.002407
H -2.729278 1.414488 2.383897
H -1.363329 -0.409873 -1.330742
H -5.052266 0.673276 1.886235
H -3.650139 -1.181426 -1.803215
H -5.512048 -2.683313 -1.713067
H -5.851534 -1.178161 -2.671202
H -7.205146 -2.157682 -2.009483


