%chk=000186082.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186082

0 1
S -4.173547 0.984728 0.965000
O -1.284333 0.218302 -1.826695
O -2.073745 2.034399 -0.783920
N -0.266115 -0.166305 0.896262
C 0.462072 -1.300224 0.245562
C 1.972014 -1.116444 0.511007
C 2.532450 0.120263 -0.202457
C -1.698684 -0.060120 0.505372
C -0.004169 -2.675839 0.748768
C 4.038415 0.279169 0.046534
C -2.540883 0.546773 1.627501
C 4.598308 1.509861 -0.663495
C -1.715231 0.882637 -0.704913
H 0.267816 -1.228019 -0.860957
H 2.509075 -2.022384 0.168388
H 2.168011 -1.045965 1.597636
H 2.333223 0.054098 -1.288972
H 1.992029 1.025957 0.141533
H -0.156857 -0.187391 1.913236
H -2.141152 -1.043371 0.176144
H -1.076653 -2.827384 0.584615
H 0.191373 -2.815599 1.816605
H 0.512840 -3.484381 0.218679
H 4.576496 -0.626118 -0.295788
H 4.234470 0.355357 1.133907
H -2.050440 1.437161 2.071810
H -2.696553 -0.177690 2.450470
H 5.671589 1.622669 -0.475299
H 4.106693 2.429047 -0.323815
H 4.459237 1.448172 -1.748766
H -3.864716 2.167503 0.372111
H -1.263234 0.800541 -2.633460


%chk=000186082-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186082

0 1
S -4.476076 0.326097 0.860339
O -1.317310 1.142808 -1.881754
O -1.946291 2.505372 -0.107304
N -0.288423 -0.135473 0.708410
C 0.473014 -1.352027 0.356740
C 1.981312 -1.106816 0.610289
C 2.605195 -0.024428 -0.297030
C -1.671105 0.052277 0.254245
C -0.026244 -2.618927 1.103567
C 4.094367 0.242653 0.018979
C -2.676293 0.109700 1.421227
C 4.717977 1.317540 -0.897437
C -1.698766 1.360263 -0.555034
H 0.333146 -1.510174 -0.732560
H 2.518909 -2.065836 0.468548
H 2.124679 -0.829551 1.678031
H 2.505421 -0.336934 -1.357444
H 2.024882 0.913343 -0.195771
H -0.045233 0.313595 1.595336
H -1.941774 -0.772164 -0.427778
H -1.110106 -2.773232 0.946107
H 0.153624 -2.526134 2.191668
H 0.498256 -3.524344 0.744079
H 4.666428 -0.703316 -0.076353
H 4.191886 0.558075 1.078400
H -2.435006 0.940849 2.104612
H -2.659294 -0.840341 1.978551
H 5.781653 1.493416 -0.652452
H 4.183525 2.281008 -0.796692
H 4.661313 1.013295 -1.959748
H -4.358330 1.671964 0.554747
H -1.245538 2.016848 -2.353916


