%chk=000085541.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085541

0 1
 S   -1.387000     -0.5546000      -2.075600    
 O    1.664900       3.719100      0.7048000    
 O   0.9630000      -1.917700      -1.313100    
 O    3.573300       2.035200       1.154800    
 O   -6.208700     -0.4925000       1.380500    
 C   0.9250000      0.3723000     -0.6531000    
 C    1.615400       1.399300     -6.0000001E-03
 C    2.848900      -1.224300     -0.1720000    
 C    3.539200     -0.1975000      0.4755000    
 C    1.516600     -0.9770000     -0.7600000    
 C    2.947600       1.151800      0.5823000    
 C  -0.3373000      0.6198000      -1.205700    
 C    1.043700       2.673900      8.8100001E-02
 C  -0.9034000       1.891400      -1.109700    
 C    3.420600      -2.498900     -0.2661000    
 C    4.801100     -0.4451000       1.028800    
 C  -0.2143000       2.916200     -0.4643000    
 C    4.678400      -2.741400      0.2869000    
 C    5.367200      -1.716700      0.9328000    
 C   -2.837000     -0.5363000      -1.037100    
 C   -2.737400     -0.9071000      0.3031000    
 C   -4.067800     -0.1510000      -1.566400    
 C   -3.871000     -0.8926000       1.115800    
 C   -5.201300     -0.1363000     -0.7538000    
 C   -5.102900     -0.5072000      0.5873000    
 C   -6.036600     -0.8828000       2.742100    
 H   -1.874100       2.129700      -1.538800    
 H    2.907800      -3.317600     -0.7636000    
 H    5.359800      0.3357000       1.537900    
 H  -0.6709000       3.900800     -0.4030000    
 H    5.121400      -3.730400      0.2136000    
 H    6.346200      -1.908200       1.362400    
 H    1.098800       4.508400      0.6581000    
 H   -1.788500      -1.217100      0.7341000    
 H   -4.163400      0.1419000      -2.609000    
 H   -3.723800      -1.193600       2.147400    
 H   -6.158400      0.1652000      -1.170800    
 H   -5.367200     -0.1991000       3.275200    
 H   -5.715000      -1.926600       2.824000    
 H   -7.016600     -0.8116000       3.225100    


%chk=000085541-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085541

0 1
S -1.163732 -1.592635 -0.159206
O 1.895619 3.594384 0.813994
O 1.316731 -2.365693 -0.452736
O 4.141308 2.284070 0.409783
O -6.980432 0.110258 0.322269
C 1.228940 -0.018571 0.057392
C 1.962395 1.207256 0.286568
C 3.439939 -1.254082 -0.343343
C 4.160321 -0.051572 -0.118806
C 1.956998 -1.275566 -0.257255
C 3.457314 1.230520 0.209753
C -0.200557 -0.041575 0.129299
C 1.229477 2.392802 0.586361
C -0.886363 1.163091 0.430847
C 4.136574 -2.450588 -0.651709
C 5.575146 -0.055370 -0.204357
C -0.187871 2.351553 0.653742
C 5.541507 -2.446958 -0.736031
C 6.263068 -1.245048 -0.511352
C -2.903116 -0.966538 0.047377
C -3.550627 -1.083000 1.296377
C -3.631840 -0.507291 -1.079267
C -4.913234 -0.731238 1.438372
C -4.987328 -0.152496 -0.952449
C -5.631440 -0.263705 0.307878
C -7.707667 -0.008115 1.589987
H -1.977501 1.164969 0.489831
H 3.552495 -3.360753 -0.818900
H 6.103572 0.886149 -0.025593
H -0.746010 3.268890 0.884051
H 6.078871 -3.371053 -0.974528
H 7.356466 -1.243959 -0.576958
H 1.239837 4.314700 1.006109
H -2.991925 -1.453012 2.162600
H -3.136159 -0.433814 -2.052831
H -5.394398 -0.831749 2.415583
H -5.567136 0.201572 -1.809963
H -7.267041 0.643970 2.368880
H -7.724587 -1.056055 1.946573
H -8.731307 0.323750 1.364158


