%chk=000187429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187429

0 1
S 1.564720 -1.807327 1.749108
P 1.811283 -0.937169 0.067367
O 0.530025 -1.188863 -1.009520
O 2.999321 -1.491113 -0.937370
O -5.204386 1.180883 0.443539
C 2.112313 0.859891 0.065043
C -0.733167 -0.857535 -0.535358
C 2.573786 1.460330 -1.109163
C 1.883411 1.602092 1.224383
C -1.516045 -1.862198 0.053204
C -1.214560 0.439897 -0.763456
C 2.803394 2.840156 -1.122338
C 2.112923 2.983252 1.200993
C 2.570915 3.598189 0.031227
C -3.329838 -0.255212 0.209407
C -2.821703 -1.547029 0.425479
C -2.524736 0.730639 -0.386634
C 3.065458 -2.935140 -1.076125
C -4.721426 0.080420 0.610504
H 2.765317 0.875828 -2.014979
H 1.532576 1.137038 2.152873
H -1.103294 -2.857468 0.217274
H -0.581997 1.190838 -1.233687
H 3.164888 3.323633 -2.028550
H 1.936680 3.577665 2.096640
H 2.749623 4.674165 0.018068
H -3.446836 -2.312137 0.889205
H -2.942534 1.729940 -0.549280
H 3.933747 -3.053641 -1.741944
H 3.259448 -3.427153 -0.113265
H 2.160225 -3.322124 -1.560812
H -5.299129 -0.735747 1.074768


%chk=000187429-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187429

0 1
S 1.583168 -1.710368 2.009111
P 1.837089 -0.779340 0.184432
O 0.433526 -0.867278 -0.941606
O 2.969593 -1.453930 -0.931241
O -5.831271 0.600109 0.043428
C 2.350650 0.988618 0.167879
C -0.909530 -0.735156 -0.537704
C 2.712663 1.597716 -1.058272
C 2.364643 1.713072 1.381064
C -1.533922 -1.714325 0.274496
C -1.635396 0.377504 -1.037690
C 3.096131 2.955990 -1.059626
C 2.746656 3.072785 1.365916
C 3.111079 3.693477 0.148643
C -3.642868 -0.463742 0.088968
C -2.900052 -1.568079 0.584252
C -2.999140 0.506562 -0.729114
C 2.899794 -2.909864 -1.191492
C -5.079449 -0.336832 0.428536
H 2.705946 1.015576 -1.984615
H 2.088597 1.214925 2.317592
H -0.952085 -2.560553 0.649211
H -1.114944 1.110263 -1.661935
H 3.383849 3.437134 -2.000300
H 2.761040 3.642561 2.300750
H 3.408204 4.747920 0.140761
H -3.398650 -2.316578 1.212847
H -3.590520 1.349677 -1.102488
H 3.778523 -3.122885 -1.817460
H 2.956830 -3.475363 -0.243300
H 1.969767 -3.156938 -1.732272
H -5.479518 -1.157659 1.077829


