%chk=000216962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216962

0 1
S 1.434161 -1.158417 1.613543
P 1.535432 0.143544 -0.038269
O 3.053039 0.675495 0.320343
O 0.542617 1.395070 0.290421
O -1.982229 -0.795962 0.232515
O 1.263017 -0.435820 -1.364440
N -1.681653 -0.084941 2.344436
N -2.658275 0.678258 1.785497
C -0.194846 -1.975859 1.406651
C -1.251236 -0.964103 1.430608
C -3.723149 0.745954 -0.575193
C -2.848422 0.276704 0.519885
C 4.069462 0.532165 -0.713699
C 0.636917 2.128350 1.547100
C -2.905050 1.485708 -1.631390
C 4.443180 -0.918289 -0.945816
C 1.836996 3.051819 1.554369
H -0.223294 -2.584306 0.472157
H -0.288603 -2.687141 2.261674
H -4.514409 1.411481 -0.157391
H -4.252595 -0.119982 -1.033674
H 3.735418 1.039660 -1.638375
H 4.898626 1.108179 -0.251147
H -0.326164 2.683734 1.513862
H 0.616600 1.432202 2.407949
H -2.410155 2.373310 -1.214140
H -3.536708 1.815167 -2.463761
H -2.109448 0.848030 -2.047010
H 5.401144 -0.999211 -1.474649
H 4.547402 -1.468387 0.000129
H 3.698740 -1.454138 -1.556616
H 1.782835 3.758128 2.392239
H 2.789134 2.506009 1.649661
H 1.897615 3.639589 0.628730


%chk=000216962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216962

0 1
S 1.497966 -1.411959 1.548898
P 1.361636 0.146199 -0.174437
O 2.965259 0.794416 -0.045544
O 0.364662 1.409200 0.434350
O -1.903448 -0.768966 0.208805
O 0.911360 -0.341176 -1.616518
N -1.831576 -0.279960 2.433881
N -2.759472 0.627189 1.790083
C -0.298096 -2.114178 1.533472
C -1.346047 -1.067478 1.475830
C -3.507644 0.949296 -0.637045
C -2.767496 0.315068 0.491480
C 3.968376 0.436265 -1.101179
C 0.595331 2.034842 1.781499
C -2.552342 1.517134 -1.721506
C 4.608207 -0.927684 -0.836170
C 1.550806 3.222136 1.683111
H -0.381739 -2.800226 0.679762
H -0.347039 -2.667344 2.483678
H -4.136441 1.747589 -0.207423
H -4.185057 0.202068 -1.093555
H 3.478067 0.473661 -2.091358
H 4.701987 1.255244 -1.022414
H -0.420358 2.334943 2.086538
H 0.956637 1.256235 2.480111
H -1.887944 2.286480 -1.293482
H -3.141942 1.969305 -2.538040
H -1.911744 0.723436 -2.141787
H 5.416799 -1.104345 -1.570180
H 5.045906 -0.966469 0.175930
H 3.872738 -1.745068 -0.935305
H 1.622668 3.712596 2.672590
H 2.558428 2.897982 1.374220
H 1.177653 3.965568 0.957904


