%chk=000008771.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008771

0 1
 S   -2.717100       1.902400      0.4869000    
 O   -2.196400      0.5258000     -0.2150000    
 O   -3.493800       2.679200     -0.7191000    
 O   -3.709500       1.532100       1.478600    
 O   -1.569700       2.704800      0.8682000    
 C    2.116000      0.8212000     -0.1516000    
 C   0.6336000      0.4394000     -0.3740000    
 C  -0.1171000     -0.1046000      0.8515000    
 C   -1.580300     -0.4844000      0.5873000    
 C    3.028900     -0.4051000      7.6399997E-02
 C    2.573800       1.731600      -1.313900    
 C   -1.735200      -1.823500     -0.1519000    
 C    4.468700     -7.5000003E-02  0.4844000    
 C   -3.173000      -2.228500     -0.5244000    
 C    2.626300       1.033100      -2.665100    
 C    5.310600      -1.321700      0.7736000    
 C   -4.075900      -2.366400      0.7014000    
 C   -3.152300      -3.549200      -1.299800    
 C    6.762300      -1.011100       1.106500    
 H    2.156600       1.435100      0.7588000    
 H   0.1025000       1.322900     -0.7455000    
 H   0.5811000     -0.3091000      -1.173000    
 H  -8.8000000E-02  0.6685000       1.628900    
 H   0.4050000     -0.9718000       1.270100    
 H   -2.095600     -0.5607000       1.551800    
 H    2.597300      -1.018500      0.8762000    
 H    3.035200      -1.043400     -0.8147000    
 H    1.903100       2.596800      -1.387800    
 H    3.564700       2.143000      -1.089800    
 H   -1.277400      -2.616000      0.4544000    
 H   -1.161400      -1.776100      -1.086200    
 H    4.457500      0.5670000       1.373500    
 H    4.954400      0.4947000     -0.3157000    
 H   -3.602100      -1.462700      -1.182100    
 H    1.649400      0.6424000      -2.962800    
 H    3.349000      0.2126000      -2.670800    
 H    2.940100       1.746400      -3.434800    
 H    5.285300      -1.986600     -9.8099999E-02
 H    4.864800      -1.875200       1.608500    
 H   -3.659400      -3.076500       1.423600    
 H   -4.210700      -1.405400       1.206400    
 H   -5.070900      -2.722300      0.4130000    
 H   -2.741700      -4.362100     -0.6912000    
 H   -4.163500      -3.834800      -1.608600    
 H   -2.541500      -3.460100      -2.204500    
 H    7.251300     -0.4942000      0.2747000    
 H    6.830600     -0.3747000       1.994400    
 H    7.313300      -1.935500       1.305300    
 H   -3.882100       3.552600     -0.4768000    


%chk=000008771-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000008771

0 1
S -2.553021 2.069487 0.965426
O -2.310220 0.648402 -0.145332
O -4.242704 2.439394 0.377270
O -2.631501 1.567232 2.487938
O -1.617955 3.311584 0.545030
C 2.117826 0.712423 -0.347541
C 0.675419 0.195817 -0.615201
C -0.085321 -0.196794 0.671315
C -1.578465 -0.518641 0.479035
C 3.054631 -0.430494 0.134065
C 2.672003 1.480087 -1.584252
C -1.893010 -1.660442 -0.509422
C 4.482316 0.019535 0.520393
C -3.376758 -2.112351 -0.553122
C 2.877788 0.626262 -2.857015
C 5.329128 -1.119913 1.132812
C -3.859297 -2.690175 0.799006
C -3.565078 -3.151016 -1.684138
C 6.757394 -0.672450 1.512317
H 2.052232 1.457013 0.477700
H 0.102125 0.989843 -1.133178
H 0.718758 -0.670410 -1.304815
H 0.006959 0.622793 1.415022
H 0.375807 -1.087402 1.143530
H -2.045844 -0.717201 1.462292
H 2.598027 -0.921736 1.018063
H 3.116220 -1.212639 -0.651526
H 1.971793 2.308194 -1.815389
H 3.632978 1.959847 -1.314044
H -1.251636 -2.518594 -0.215463
H -1.571927 -1.352483 -1.522365
H 4.419365 0.857974 1.245992
H 5.009069 0.417648 -0.370293
H -3.991093 -1.221493 -0.790816
H 1.932734 0.163823 -3.195996
H 3.610461 -0.185110 -2.691698
H 3.257332 1.250637 -3.686721
H 5.383184 -1.961294 0.411558
H 4.813083 -1.515065 2.031975
H -3.240859 -3.558479 1.100743
H -3.824502 -1.943430 1.613191
H -4.906507 -3.035201 0.719989
H -2.956574 -4.056876 -1.493891
H -4.621847 -3.466303 -1.759495
H -3.263451 -2.738893 -2.665259
H 7.305162 -0.300769 0.625651
H 6.731162 0.146082 2.256348
H 7.342021 -1.504603 1.946086
H -4.210610 3.372581 0.011424


