%chk=000086444.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086444

0 1
 S  -0.6270000      -1.206100      0.8286000    
 O  -0.5916000      -2.638100      0.5865000    
 O   -1.070800     -0.6675000       2.103700    
 O   -2.974600       1.348700      0.2488000    
 O   -1.088100       1.686400      -1.041200    
 C   -1.776900     -0.4819000     -0.4320000    
 C   -1.802900      -1.333400      -1.647700    
 C   -2.927300      -1.393400     -0.6557000    
 C   -1.878900      0.9550000     -0.4608000    
 C   0.9401000     -0.5454000      0.4332000    
 C    1.355200      0.6566000       1.006500    
 C    1.776900      -1.219400     -0.4563000    
 C    2.607100       1.184300      0.6905000    
 C    3.028900     -0.6917000     -0.7721000    
 C    3.444100      0.5102000     -0.1987000    
 C   -3.196900       2.761300      0.3032000    
 C    4.782500       1.074400     -0.5364000    
 H   -1.164900      -2.200800      -1.751400    
 H   -2.008800     -0.8566000      -2.600900    
 H   -3.877300     -0.9698000     -0.9641000    
 H   -3.043300      -2.293600     -6.5499999E-02
 H   0.7174000       1.200900       1.697300    
 H    1.472600      -2.153700     -0.9193000    
 H    2.919400       2.121300       1.144000    
 H    3.672200      -1.226400      -1.466000    
 H   -3.355300       3.158600     -0.7039000    
 H   -2.351000       3.259000      0.7870000    
 H   -4.096700       2.941300      0.8974000    
 H    5.081700      0.8005000      -1.553800    
 H    4.773300       2.168700     -0.4893000    
 H    5.535700      0.6995000      0.1637000    


%chk=000086444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086444

0 1
S -0.495791 -1.275657 0.944301
O -0.482941 -2.835458 0.424070
O -0.775570 -0.925133 2.509015
O -3.313009 1.402608 -0.440963
O -1.334554 1.729249 0.748340
C -1.900801 -0.481377 -0.133695
C -2.056774 -1.089950 -1.538415
C -3.043167 -1.458325 -0.437218
C -2.113510 0.969504 0.128889
C 1.152995 -0.524241 0.400708
C 1.580840 0.680252 0.981892
C 1.925523 -1.267073 -0.506109
C 2.849177 1.171157 0.602920
C 3.188847 -0.750060 -0.870049
C 3.667319 0.470146 -0.323636
C -3.613907 2.846643 -0.264330
C 5.042318 0.997706 -0.691173
H -1.327857 -1.859000 -1.812793
H -2.360865 -0.397550 -2.327518
H -4.045925 -1.026767 -0.444022
H -2.934638 -2.461078 -0.011470
H 0.943286 1.210863 1.693601
H 1.557369 -2.225334 -0.887061
H 3.208387 2.111836 1.035905
H 3.812968 -1.307029 -1.578350
H -2.814615 3.459921 -0.712640
H -3.698096 3.084201 0.808827
H -4.571024 2.997022 -0.782354
H 5.364283 0.639576 -1.684162
H 5.064425 2.101478 -0.699679
H 5.800107 0.660771 0.042469


