%chk=000083891.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083891

0 1
 S   -4.814400      -1.094000      0.7637000    
 O    5.587100      -1.884300      0.2337000    
 O   -3.809700      0.1909000      0.7031000    
 O   -4.907200      -1.433800       2.356600    
 O   -6.124900     -0.6401000      0.3366000    
 O   -4.182200      -2.220800      0.1032000    
 C   0.6766000     -0.1692000     -0.3948000    
 C    1.615500      0.9012000      0.2383000    
 C    2.870400      0.2100000      0.7765000    
 C    3.640200     -0.5379000     -0.3281000    
 C  -0.6233000      0.4919000      -1.006400    
 C    1.420200      -1.129800      -1.366400    
 C    2.750200      -1.675600     -0.8172000    
 C    3.938500       1.033400       1.487800    
 C   0.8800000       1.652400       1.356800    
 C   -1.208300       1.535500     -4.5299999E-02
 C   -1.675300     -0.6317000      -1.240800    
 C    4.861100     -0.9314000      0.4838000    
 C    5.093500      3.1900000E-02   1.636000    
 C  -0.5247000       2.024200       1.004600    
 C    4.147300      0.3269000      -1.496300    
 C  -0.3166000       1.197500      -2.349300    
 C   -2.621500       2.014300     -0.3127000    
 C   -3.077300     -0.1216000      -1.585000    
 C   -3.595300      0.8603000     -0.5382000    
 H   0.3460000     -0.8070000      0.4416000    
 H    1.904400       1.634500     -0.5234000    
 H    2.525900     -0.5298000       1.520400    
 H    1.627700     -0.6265000      -2.315300    
 H   0.7768000      -1.983800      -1.606300    
 H    2.544900      -2.378900      3.9999999E-04
 H    3.258800      -2.258900      -1.594500    
 H    3.607500       1.399800       2.464500    
 H    4.243400       1.900800      0.8923000    
 H    1.435600       2.566400       1.598900    
 H   0.8486000       1.048900       2.272500    
 H   -1.740500      -1.262100     -0.3453000    
 H   -1.347700      -1.290700      -2.054100    
 H    5.018100     -0.5193000       2.577800    
 H    6.065300      0.5224000       1.547900    
 H  -0.9992000       2.747600       1.663400    
 H    3.339900      0.8304000      -2.034300    
 H    4.852800       1.098300      -1.169000    
 H    4.685800     -0.2951000      -2.221600    
 H   -1.174700       1.759400      -2.732700    
 H   0.5076000       1.911800      -2.253700    
 H  -4.9400002E-02  0.4797000      -3.131500    
 H   -2.983400       2.625500      0.5238000    
 H   -2.612300       2.663400      -1.196200    
 H   -3.029700      0.4017000      -2.548900    
 H   -3.754600     -0.9568000      -1.769700    
 H   -4.555900       1.274300     -0.8673000    
 H   -4.043200      -1.471200       2.830300    


%chk=000083891-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083891

0 1
S -5.115248 -1.231274 0.778764
O 5.717655 -1.938381 0.126102
O -3.801465 0.079559 0.742225
O -5.255689 -1.069483 2.584440
O -6.425883 -0.686933 0.025495
O -4.564713 -2.702827 0.475361
C 0.727016 -0.168990 -0.413404
C 1.648682 0.906054 0.256257
C 2.929658 0.216060 0.762831
C 3.712745 -0.528494 -0.355274
C -0.592181 0.462256 -1.004396
C 1.487774 -1.057109 -1.445872
C 2.820762 -1.653834 -0.916932
C 4.017718 1.025541 1.519737
C 0.901241 1.596291 1.420211
C -1.208142 1.449973 0.006237
C -1.626271 -0.690480 -1.251421
C 4.981575 -0.962014 0.404635
C 5.207884 0.023525 1.575783
C -0.532413 1.932826 1.082517
C 4.232286 0.402786 -1.497252
C -0.316500 1.217417 -2.343178
C -2.636696 1.909612 -0.255695
C -3.036949 -0.197948 -1.634316
C -3.617136 0.758647 -0.581801
H 0.402345 -0.839968 0.415497
H 1.915809 1.679326 -0.493633
H 2.588454 -0.578009 1.469875
H 1.701567 -0.468999 -2.357946
H 0.835038 -1.891977 -1.764333
H 2.611339 -2.387242 -0.112440
H 3.338036 -2.204636 -1.724819
H 3.690377 1.341160 2.525285
H 4.293442 1.939944 0.961045
H 1.439505 2.517044 1.723380
H 0.919838 0.933698 2.314620
H -1.703539 -1.302533 -0.332125
H -1.254364 -1.355122 -2.052820
H 5.204067 -0.561837 2.515949
H 6.207315 0.488617 1.501377
H -1.054069 2.613384 1.772655
H 3.400848 0.856032 -2.062363
H 4.863683 1.224674 -1.114792
H 4.841970 -0.191537 -2.201238
H -1.188074 1.815683 -2.663724
H 0.532858 1.915346 -2.236054
H -0.085327 0.512940 -3.162527
H -3.018247 2.491335 0.602319
H -2.675868 2.583921 -1.137772
H -3.015217 0.345171 -2.599536
H -3.713647 -1.061845 -1.782752
H -4.599714 1.162026 -0.895455
H -4.835735 -0.184378 2.801475


