%chk=000004363.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004363

0 1
 S    1.750700      -3.308600     -0.5073000    
 O  -2.5500000E-02   1.291600       1.709200    
 O   -2.782900      -1.082700      -1.295600    
 O   -4.517500     -0.5742000      6.3299999E-02
 O    3.720100       2.204900      -1.140700    
 N   -1.139200      0.6603000     -0.2257000    
 N    2.381200       1.260400      0.5284000    
 C    1.273700      0.8306000     -0.2857000    
 C    1.478300     -0.5860000     -0.8398000    
 C  -1.2600000E-02  0.9695000      0.5228000    
 C    1.516900      -1.668700      0.2412000    
 C   -2.472500      0.6871000      0.3283000    
 C   -3.091500       2.067200      0.1666000    
 C   -3.364600     -0.3697000     -0.3015000    
 C    3.492500       1.903300      2.3700001E-02
 C    1.793100      -4.284900       1.012800    
 H    1.198000       1.522700      -1.134700    
 H    2.420000     -0.6064000      -1.405100    
 H   0.6824000     -0.8184000      -1.558400    
 H   0.5807000      -1.681700      0.8075000    
 H    2.341700      -1.481600      0.9361000    
 H   -2.398100      0.4399000       1.394000    
 H   -1.041400      0.4519000      -1.214800    
 H    2.353000       1.066000       1.525500    
 H   -4.092500       2.105700      0.6093000    
 H   -2.477000       2.834500      0.6496000    
 H   -3.187100       2.334900     -0.8920000    
 H    4.206900       2.131500      0.8318000    
 H   0.8533000      -4.178400       1.561000    
 H    2.626600      -3.969700       1.645700    
 H    1.929300      -5.339700      0.7597000    
 H   -3.391300      -1.755600      -1.668900    


%chk=000004363-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004363

0 1
S 1.950758 -3.413666 -0.382583
O -0.124195 1.176392 1.620376
O -3.078846 -0.522478 -1.785027
O -4.707128 -0.489116 -0.123558
O 3.842046 1.652797 -1.223145
N -1.229659 0.625493 -0.345683
N 2.279596 1.319434 0.479448
C 1.237019 0.774538 -0.397253
C 1.534906 -0.689444 -0.854417
C -0.094074 0.883133 0.379748
C 1.620639 -1.683474 0.313981
C -2.560624 0.649883 0.282889
C -3.105328 2.095334 0.464303
C -3.565668 -0.177599 -0.512127
C 3.494062 1.740160 -0.008804
C 2.105727 -4.344585 1.245852
H 1.190166 1.396377 -1.314263
H 2.489613 -0.669080 -1.409764
H 0.749281 -1.013212 -1.565728
H 0.679558 -1.720509 0.891681
H 2.450242 -1.419038 0.991862
H -2.475787 0.196662 1.288586
H -1.179690 0.367081 -1.334201
H 1.996102 1.476672 1.455485
H -4.089661 2.069601 0.961220
H -2.399728 2.660326 1.094248
H -3.206808 2.602784 -0.510627
H 4.149271 2.171474 0.781364
H 1.169796 -4.271101 1.823046
H 2.949543 -3.949084 1.833882
H 2.297974 -5.398106 0.989757
H -3.764402 -1.041952 -2.284250


