%chk=000158417.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158417

0 1
 S    3.008000      -2.055800     -6.1000001E-02
 O    2.746500     -0.6728000     -0.9100000    
 O    3.398400       1.357800      0.8725000    
 O   -1.122300       2.843800      0.8445000    
 O   -2.172100       1.400900      -2.015600    
 O    4.290400      -2.736200     -0.8074000    
 O    3.409300      -1.712000       1.290800    
 O    1.867800      -2.927400     -0.2783000    
 C  -0.4664000      0.9544000     -0.4788000    
 C   0.4823000      6.4800002E-02 -0.9301000    
 C    1.793800      0.1981000     -0.4742000    
 C  -0.1746000       1.969500      0.4030000    
 C    2.121200       1.217100      0.4203000    
 C   -1.865100      0.7934000     -0.9791000    
 C    1.137000       2.102900      0.8589000    
 C   -2.845900     -3.6499999E-02 -0.2979000    
 C   -2.494400     -0.7177000      0.8674000    
 C   -4.138200     -0.1512000     -0.8101000    
 C   -3.435300      -1.514000       1.520600    
 C   -5.079200     -0.9473000     -0.1568000    
 C   -4.727600      -1.628700       1.008500    
 C    4.266300       2.196900      0.1128000    
 H   0.2256000     -0.7266000      -1.628700    
 H    1.399100       2.894100       1.557100    
 H   -1.500600     -0.6569000       1.300400    
 H   -4.437600      0.3690000      -1.716100    
 H   -3.162100      -2.044700       2.428000    
 H   -6.085600      -1.037000     -0.5552000    
 H   -5.460200      -2.248500       1.517000    
 H  -0.7104000       3.476500       1.457500    
 H    3.882600       3.221800      8.6400002E-02
 H    4.380500       1.811600     -0.9053000    
 H    5.246900       2.202600      0.5965000    
 H    4.238900      -2.763400      -1.791600    


%chk=000158417-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158417

0 1
S 4.151426 -1.609613 0.220274
O 2.713535 -0.322221 -1.649808
O 2.964594 1.994054 0.391968
O -1.328857 1.452974 1.689064
O -2.160308 1.976630 -1.785390
O 4.307231 -2.384457 1.865566
O 5.536699 -0.862207 -0.078405
O 3.007311 -0.298234 1.196761
C -0.525879 0.825646 -0.478060
C 0.465919 0.465812 -1.363336
C 1.834970 0.238615 -0.914148
C -0.203646 1.100071 0.933359
C 2.239997 0.721536 0.510769
C -1.951478 1.020178 -0.982305
C 1.075076 1.048432 1.411184
C -3.018958 0.072226 -0.560868
C -2.726993 -1.099060 0.188117
C -4.360549 0.343451 -0.947258
C -3.762543 -1.987648 0.543671
C -5.393352 -0.541168 -0.584692
C -5.096080 -1.709037 0.161176
C 4.203799 2.013242 -0.420275
H 0.242665 0.258727 -2.414502
H 1.335650 1.308828 2.442182
H -1.695709 -1.320090 0.485328
H -4.562899 1.249887 -1.527406
H -3.535088 -2.893289 1.115800
H -6.426411 -0.328361 -0.879402
H -5.899982 -2.399034 0.440986
H -1.084230 1.699488 2.615831
H 3.990882 1.861910 -1.494320
H 4.918262 1.244094 -0.075423
H 4.613060 3.021544 -0.255113
H 4.148887 -1.664427 2.544676


