%chk=000006637.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006637

0 1
 S    1.475100      -1.073700      0.2259000    
 O    1.897600      -1.024100       1.619800    
 O    1.561100      -2.333600     -0.5006000    
 N    2.332900      0.1191000     -0.6474000    
 C  -0.1728000     -0.5073000      0.1176000    
 C    2.293300       1.520300     -0.2051000    
 C  -0.6791000      0.3540000       1.091000    
 C  -0.9832000     -0.9160000     -0.9417000    
 C   -2.806000      0.3979000     -5.3800002E-02
 C   -1.995700      0.8066000       1.005400    
 C   -2.299900     -0.4633000      -1.027300    
 C    3.590500       2.238000     -0.5379000    
 C   -4.213700      0.8821000     -0.1459000    
 H    2.486800     -3.1199999E-02  -1.652200    
 H    1.459800       2.024600     -0.7048000    
 H    2.134000       1.577900      0.8760000    
 H  -6.5800004E-02  0.6876000       1.923300    
 H  -0.6080000      -1.580100      -1.715300    
 H   -2.377900       1.479400       1.768600    
 H   -2.920500     -0.7858000      -1.859200    
 H    4.440500       1.755000     -4.4700000E-02
 H    3.778700       2.224400      -1.616500    
 H    3.547100       3.280600     -0.2090000    
 H   -4.856200      0.1388000     -0.6299000    
 H   -4.633300       1.068900      0.8485000    
 H   -4.254300       1.810700     -0.7238000    


%chk=000006637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000006637

0 1
S 1.503103 -1.052805 0.282248
O 1.915531 -0.906860 1.846652
O 1.637469 -2.426905 -0.574607
N 2.576416 0.150579 -0.605675
C -0.299697 -0.471977 0.135323
C 2.593740 1.531256 -0.065816
C -0.814369 0.370571 1.134028
C -1.059911 -0.931402 -0.952908
C -2.965326 0.371156 -0.077173
C -2.158235 0.789718 1.014172
C -2.401206 -0.499836 -1.048062
C 3.776242 2.289020 -0.699326
C -4.400321 0.847820 -0.206696
H 2.383575 0.058159 -1.617460
H 1.642852 2.081972 -0.244394
H 2.743572 1.446535 1.025005
H -0.195368 0.655474 1.991204
H -0.626579 -1.631025 -1.675609
H -2.587286 1.441089 1.784322
H -3.020099 -0.852627 -1.881196
H 4.721553 1.762207 -0.488873
H 3.663095 2.376380 -1.795861
H 3.835345 3.310533 -0.281558
H -5.031215 0.101527 -0.719740
H -4.849045 1.056823 0.779692
H -4.452837 1.783417 -0.796692


