%chk=000005316.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005316

0 1
 S   -1.733000     -0.6838000     -1.2300000E-02
 O   -2.522900      -1.567200      0.8230000    
 O   -2.220100     -0.2741000      -1.316400    
 O   0.4418000       2.957500     -0.8655000    
 O    3.088900     -0.4788000     -0.7794000    
 O    2.493100      7.9700001E-02   1.348800    
 N   9.6299998E-02  0.9522000      0.3270000    
 C  -2.9600000E-02  -1.380600     -0.2051000    
 C   -1.228400      0.7455000      0.9324000    
 C   0.8102000     -9.9500000E-02 -0.3719000    
 C   -1.580000       2.166500      0.4765000    
 C  -0.1697000       2.202900     -0.1437000    
 C   3.3599999E-02  -2.273200      -1.445300    
 C   0.3237000      -2.199100       1.046400    
 C    2.196200     -0.1481000      0.1855000    
 H   -1.176100      0.5751000       2.011300    
 H   0.8602000      0.2120000      -1.423500    
 H   -1.721500       2.890000       1.284000    
 H   -2.391500       2.255700     -0.2493000    
 H    1.039200      -2.685800      -1.580300    
 H  -0.6693000      -3.109600      -1.363300    
 H  -0.2238000      -1.721800      -2.356000    
 H  -0.3573000      -3.049300       1.166200    
 H    1.338200      -2.607300      0.9831000    
 H   0.2540000      -1.598500       1.959500    
 H    4.005800     -0.5160000     -0.4328000    


%chk=000005316-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005316

0 1
S -1.580399 -0.763533 0.754052
O -1.672702 -1.535051 2.192578
O -2.858039 -0.759112 -0.277842
O -0.160434 2.331704 -2.091815
O 3.245756 -0.832078 0.483635
O 1.951941 0.270748 2.074084
N 0.216238 1.093171 -0.018219
C 0.143846 -1.367603 -0.312136
C -0.876617 1.123776 0.942108
C 1.067880 -0.093720 -0.212507
C -1.637355 2.144846 0.064219
C -0.461371 1.961819 -0.950556
C -0.356928 -1.596430 -1.736133
C 0.608729 -2.616661 0.426224
C 2.097068 -0.172444 0.917815
H -0.654579 1.232887 2.009998
H 1.602362 0.020238 -1.171726
H -1.751698 3.155435 0.484056
H -2.599838 1.769020 -0.326249
H 0.423007 -2.129696 -2.313473
H -1.275559 -2.208071 -1.739358
H -0.592556 -0.653641 -2.258661
H -0.096650 -3.447268 0.255619
H 1.604971 -2.923247 0.056060
H 0.668586 -2.457329 1.517677
H 3.902340 -0.903361 1.229450


