%chk=000037720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037720

0 1
 S    4.854500       1.734200     -4.6900000E-02
 S   -4.198700       2.636200     -5.8400001E-02
 S   -2.996600      -2.481100      -1.462900    
 S    2.549500      -1.866700       1.858200    
 O   0.1088000      3.8199998E-02  0.2580000    
 O   -1.262400      0.1369000       2.188500    
 O    1.351800     -0.6684000      -2.270500    
 O    3.264000       1.721900     -0.4091000    
 O   -2.864300       2.077000      0.6961000    
 O   -2.269300      -1.088600      -1.023800    
 O    2.384700      -1.762400      0.2380000    
 O   -4.139300     -0.1990000       1.967300    
 O    3.592200     -4.0899999E-02  -2.722800    
 O    5.363400       3.182100     -0.6001000    
 O   -4.680200       3.878300      0.8832000    
 O   -1.844900      -3.265400      -2.311300    
 O    1.864000      -3.301500       2.222400    
 O    5.524200      0.7021000     -0.8162000    
 O    4.968100       1.754600       1.399600    
 O   -5.230400       1.616700     -1.4000000E-02
 O   -3.776300       3.190700      -1.331100    
 O   -3.241100      -3.241500     -0.2514000    
 O   -4.090500      -2.180300      -2.367800    
 O    1.758500     -0.8229000       2.483000    
 O    3.968100      -1.975300       2.143000    
 C    1.014900      0.8978000     -0.4292000    
 C    2.445500      0.6502000      5.4200001E-02
 C   -2.079900       1.058800      7.7600002E-02
 C  -0.8689000      0.7842000      0.9755000    
 C   -2.939500     -0.1936000     -0.1390000    
 C    2.998700     -0.6837000     -0.4645000    
 C   -3.208400     -0.9316000       1.174200    
 C   0.8777000      0.6336000      -1.925400    
 C    2.731600     -0.8811000      -1.960500    
 C   -1.929400      -1.109500       1.986400    
 H   0.7693000       1.957700     -0.2788000    
 H    2.466000      0.7362000       1.136600    
 H   -1.739000       1.438400     -0.8905000    
 H  -0.4460000       1.734500       1.324200    
 H   -3.878300      3.3599999E-02 -0.6349000    
 H    4.061400     -0.8115000     -0.2815000    
 H   -3.724300      -1.872500       1.093700    
 H    1.417300       1.383700      -2.514400    
 H  -0.1695000      0.6706000      -2.236600    
 H    2.952500      -1.915300      -2.243900    
 H   -2.161200      -1.503500       2.981600    
 H   -1.243300      -1.814900       1.504400    
 H   -4.273900     -0.6833000       2.799800    
 H    3.645400      0.8264000      -2.291400    
 H    5.073500       3.408900      -1.514800    
 H   -4.715500       3.685400       1.849600    
 H   -1.375300      -2.721500      -2.986500    
 H   0.9780000      -3.459200       1.819500    


%chk=000037720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000037720

0 1
S 4.339374 2.560214 -0.058048
S -4.361171 3.040641 -0.313893
S -2.271342 -2.491556 -1.141036
S 2.183457 -3.716012 1.049262
O 0.275537 0.475236 0.567419
O -1.120645 0.989332 2.354735
O 1.045831 -1.123682 -1.960787
O 3.706356 0.933339 -0.767649
O -2.740537 2.607868 0.646779
O -1.820956 -0.722623 -0.645848
O 1.851649 -1.854061 0.685075
O -3.945546 0.640349 2.178689
O 3.365476 -0.943202 -2.617673
O 3.129141 3.577547 -1.006682
O -5.426555 1.912509 0.524851
O -0.528891 -2.875872 -1.127972
O 0.512845 -4.174541 0.829451
O 5.820868 2.791674 -0.607584
O 3.966063 2.619536 1.501398
O -4.158474 2.570430 -1.839061
O -4.680485 4.554639 0.070647
O -2.962559 -3.279307 0.074323
O -2.874472 -2.541027 -2.620811
O 2.556146 -3.920565 2.585451
O 3.171778 -4.222783 -0.122162
C 1.238318 0.880644 -0.458643
C 2.606991 0.315478 0.021644
C -1.955685 1.514304 0.077894
C -0.718647 1.436409 1.042944
C -2.746601 0.156540 0.074842
C 2.793633 -1.218319 -0.228637
C -3.015840 -0.333223 1.529779
C 0.865041 0.344358 -1.857450
C 2.470266 -1.555869 -1.709721
C -1.712599 -0.383873 2.333416
H 1.314816 1.987745 -0.515294
H 2.736598 0.518607 1.100073
H -1.643338 1.750643 -0.955605
H -0.286693 2.444842 1.179756
H -3.690584 0.272740 -0.491213
H 3.843209 -1.497775 -0.012936
H -3.529557 -1.307225 1.536033
H 1.495552 0.811643 -2.634787
H -0.194690 0.514799 -2.088095
H 2.458205 -2.637768 -1.905446
H -1.899045 -0.621862 3.390705
H -0.994098 -1.098673 1.900648
H -3.379623 1.341257 2.608738
H 3.772903 -0.115452 -2.221433
H 3.481840 4.513293 -1.087346
H -4.870643 1.367120 1.267430
H 0.085969 -2.046155 -1.503254
H 0.078615 -3.668614 0.003482


