%chk=000006180.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006180

0 1
 S   -3.216200      -1.215700      0.6148000    
 O   0.5349000       2.128200      -1.375100    
 O  -0.3332000       2.886700      0.5702000    
 O    2.579100      -1.315900       1.189400    
 N    1.268400     -0.2120000     -0.3871000    
 C   0.5247000      0.6233000      0.5208000    
 C  -0.7361000     -9.3199998E-02   1.023900    
 C   -1.760900     -0.3760000     -7.7000000E-02
 C   0.2119000       1.991600     -6.6500001E-02
 C    2.236600      -1.114400      2.7300000E-02
 C    2.840100      -1.876400      -1.122100    
 C   -4.149300      -1.426300     -0.9185000    
 H    1.177600      0.8160000       1.382000    
 H   -1.203300      0.5281000       1.799800    
 H  -0.4426000      -1.035900       1.504500    
 H   -2.089800      0.5570000     -0.5449000    
 H   -1.322800      -1.017100     -0.8485000    
 H    1.053100     -0.1449000      -1.378000    
 H    3.738100      -2.401300     -0.7849000    
 H    2.115400      -2.604700      -1.496100    
 H    3.117700      -1.191200      -1.928200    
 H   -3.586100      -2.039600      -1.626800    
 H   -4.370400     -0.4544000      -1.367100    
 H   -5.094400      -1.930000     -0.6987000    
 H   0.2940000       3.013600      -1.721700    


%chk=000006180-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006180

0 1
S -3.208081 -1.315870 0.616307
O 0.506176 2.137480 -1.398040
O -0.259233 2.948135 0.640912
O 2.251057 -1.495262 1.209263
N 1.324295 -0.170745 -0.452726
C 0.568206 0.630302 0.518551
C -0.735607 -0.075433 1.019843
C -1.757485 -0.329890 -0.098484
C 0.234505 2.015132 -0.021341
C 2.150961 -1.197167 -0.021142
C 2.917607 -1.935433 -1.112307
C -4.254954 -1.436256 -0.943412
H 1.204587 0.764699 1.415691
H -1.183203 0.553812 1.810604
H -0.419909 -1.028447 1.480189
H -2.160127 0.615901 -0.504990
H -1.311420 -0.921225 -0.917661
H 1.299589 0.114247 -1.433073
H 3.994683 -1.910013 -0.874400
H 2.610160 -2.995592 -1.116194
H 2.762131 -1.515621 -2.121107
H -3.707744 -1.974999 -1.733973
H -4.542160 -0.431215 -1.292897
H -5.159531 -2.002439 -0.672107
H 0.261995 3.051401 -1.706006


