%chk=000085972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085972

0 1
 S   -3.622700       1.562000      0.5444000    
 O  -0.3101000      -2.930100       1.011600    
 O  -0.5567000      -2.388100      -1.175100    
 C   0.9941000      4.0700000E-02 -0.1401000    
 C    1.193000       1.460600      0.4076000    
 C    2.232800     -0.8255000      0.1250000    
 C  -0.2527000     -0.6013000      0.4655000    
 C    2.463600       2.104200     -0.1428000    
 C    3.501700     -0.1780000     -0.4248000    
 C    3.691200       1.236200      0.1148000    
 C   -1.518900      0.1989000      0.1962000    
 C  -0.3913000      -2.040500     -1.2900000E-02
 C   -1.995800      0.4445000      -1.099900    
 C   -2.273700      0.7280000       1.190100    
 C   -3.154500       1.188300      -1.059600    
 H   0.8749000      0.1132000      -1.230700    
 H    1.249600       1.435500       1.503600    
 H   0.3486000       2.107900      0.1465000    
 H    2.133500      -1.812700     -0.3395000    
 H    2.351700     -0.9897000       1.203800    
 H  -0.1134000     -0.6440000       1.556700    
 H    2.606400       3.089000      0.3163000    
 H    2.351800       2.267900      -1.221800    
 H    3.450700     -0.1471000      -1.520200    
 H    4.371500     -0.7911000     -0.1630000    
 H    4.571200       1.694000     -0.3508000    
 H    3.886800       1.191900       1.193300    
 H   -1.541100      0.1134000      -2.024500    
 H   -2.122100      0.6806000       2.259500    
 H   -3.748000       1.530700      -1.895500    
 H  -0.3987000      -3.855700      0.6990000    


%chk=000085972-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085972

0 1
S -3.682153 1.646467 0.566741
O -0.578408 -2.991779 0.960758
O -0.432621 -2.364179 -1.267161
C 1.034031 0.036021 -0.114941
C 1.224231 1.474801 0.425985
C 2.302978 -0.814003 0.158224
C -0.238490 -0.635195 0.506245
C 2.492138 2.140286 -0.160842
C 3.572153 -0.151321 -0.428477
C 3.755402 1.288364 0.104863
C -1.515749 0.155575 0.237770
C -0.416694 -2.042966 -0.057625
C -2.060529 0.378051 -1.089006
C -2.268930 0.762647 1.230309
C -3.207056 1.149821 -1.094378
H 0.880527 0.086381 -1.213473
H 1.312549 1.435126 1.533126
H 0.333267 2.088895 0.198607
H 2.184257 -1.829209 -0.268009
H 2.426558 -0.934623 1.255681
H -0.095086 -0.729305 1.597765
H 2.614643 3.154779 0.265570
H 2.362257 2.267183 -1.255748
H 3.489003 -0.122891 -1.534592
H 4.461581 -0.766602 -0.190975
H 4.641945 1.760236 -0.361462
H 3.947846 1.251669 1.197454
H -1.616925 -0.047084 -1.992806
H -2.104135 0.761857 2.306833
H -3.822239 1.463834 -1.935406
H -0.722952 -3.889137 0.551671


