%chk=000016372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016372

0 1
 S   -3.327000     -0.5899000      0.7766000    
 O   0.7115000      -1.765800      0.5168000    
 O   -1.567600      2.6400000E-02  -1.613000    
 O    2.422500     -0.9533000     -0.7314000    
 N    2.270700       1.404300      0.6540000    
 N   -1.885500      0.2890000      0.6825000    
 C    1.055900      0.5974000      0.5653000    
 C   5.1399998E-02   1.284500     -0.3659000    
 C   -1.219000      0.4660000     -0.5189000    
 C    1.487200     -0.7586000      3.3900000E-02
 H   0.6609000      0.4727000       1.578700    
 H  -0.2213000       2.274700      1.8999999E-02
 H   0.4786000       1.425500      -1.367000    
 H    2.693000       1.511000     -0.2675000    
 H    2.960500      0.9358000       1.240100    
 H   -1.539600      0.7156000       1.536600    
 H   0.9943000      -2.640600      0.1746000    
 H   -2.809300      -1.742000       1.226800    


%chk=000016372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016372

0 1
S -3.377069 -1.022416 -0.129466
O 2.097459 -1.625231 -0.641886
O -1.804855 0.271511 2.210931
O 0.567501 -0.229817 -1.686915
N 2.504608 1.016094 0.744568
N -1.883019 -0.035514 -0.108950
C 1.260429 0.224712 0.679149
C 0.039195 1.159424 0.843660
C -1.294171 0.419142 1.066601
C 1.216873 -0.542773 -0.656169
H 1.280997 -0.511148 1.501430
H 0.221633 1.768628 1.742360
H -0.026009 1.829043 -0.034815
H 2.583676 1.753359 0.037347
H 3.360716 0.466657 0.858204
H -1.390829 0.084109 -1.003584
H 2.106387 -2.068979 -1.533435
H -4.246321 -0.004101 0.252170


