%chk=000016118.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016118

0 1
 S   -2.507100     -0.1695000     -0.1858000    
 O   -2.546300      0.3151000      -1.558000    
 O    2.781600      -1.623900      0.2254000    
 O    3.623300      0.2909000     -0.6539000    
 N    1.624900       1.792000      0.2426000    
 N   -2.611800      -1.657300      0.2299000    
 C   -1.031300      0.4661000      0.5454000    
 C   0.2090000     -0.1879000     -5.4099999E-02
 C    1.505600      0.3689000      0.5485000    
 C   -3.788400      0.6964000      0.6962000    
 C    2.740800     -0.2908000     -3.6200002E-02
 H   -1.036800       1.547200      0.3744000    
 H   -1.083400      0.2834000       1.623700    
 H   0.2150000     -6.1000001E-02  -1.145100    
 H   0.1763000      -1.270700      0.1158000    
 H    1.524300      0.2346000       1.635400    
 H   -3.650600       1.769400      0.5472000    
 H   -4.754300      0.3886000      0.2897000    
 H   -3.725400      0.4486000       1.757500    
 H    1.647200       1.936700     -0.7660000    
 H    2.501500       2.158000      0.6116000    
 H   -1.830700      -2.239000     -8.4700003E-02
 H    3.587000      -2.044300     -0.1445000    


%chk=000016118-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000016118

0 1
S -2.331396 -0.223257 -0.098189
O -1.597915 -0.104491 -1.596655
O 3.353629 -0.758571 0.288170
O 3.115963 1.060626 -1.137390
N 0.433482 1.523295 -0.207887
N -3.808745 -1.032586 0.171246
C -0.848651 -0.814883 1.144403
C 0.481565 -0.883067 0.407058
C 1.247427 0.467095 0.403324
C -2.773361 1.499165 0.523721
C 2.633686 0.314065 -0.260860
H -0.891282 -0.077147 1.961925
H -1.233019 -1.794137 1.473849
H 0.297820 -1.198281 -0.640592
H 1.121317 -1.651695 0.876436
H 1.465974 0.734989 1.460175
H -1.813201 2.035605 0.569668
H -3.462740 1.907306 -0.227401
H -3.265524 1.367189 1.496483
H -0.058553 1.191245 -1.055661
H 0.958275 2.389230 -0.376934
H -3.711682 -1.998535 -0.231597
H 4.257329 -0.801661 -0.128291


