%chk=000097245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097245

0 1
 S  -0.1408000     -0.7478000      -1.183000    
 O    2.475200      -2.454000     -0.1849000    
 O    3.698600       1.936600     -0.3247000    
 N    3.162200     -0.2622000     -0.2027000    
 N   0.9450000      0.5204000       1.071800    
 N    1.794800       1.392500      0.8020000    
 C   0.8706000     -0.7477000      0.3371000    
 C   -1.740600     -0.2771000     -0.5537000    
 C    2.237300      -1.260300     -1.3500000E-02
 C   -2.372500      -1.066900      0.4067000    
 C   -2.360500      0.8815000      -1.021500    
 C   -3.624500     -0.6982000      0.8994000    
 C   -3.612300       1.250400     -0.5289000    
 C   -4.244300      0.4604000      0.4315000    
 C    2.911800       1.072300      6.4499997E-02
 H   0.4433000      -1.486400       1.024300    
 H   -1.913800      -1.979000      0.7799000    
 H   -1.883100       1.510000      -1.769300    
 H    4.068800     -0.5134000     -0.5852000    
 H   -4.117600      -1.314100       1.645700    
 H   -4.095000       2.152600     -0.8929000    
 H   -5.219100      0.7473000      0.8147000    


%chk=000097245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097245

0 1
S -0.105606 -0.748167 -1.026098
O 2.192981 -1.960564 1.355785
O 4.371018 1.176321 -1.331528
N 3.279908 -0.443712 -0.046232
N 1.155021 1.406168 0.125424
N 2.264263 1.801011 -0.401560
C 0.924174 -0.056250 0.450304
C -1.808428 -0.373996 -0.417012
C 2.152343 -0.921392 0.655628
C -2.700322 -1.454388 -0.221293
C -2.220983 0.963740 -0.209561
C -4.030415 -1.187288 0.178535
C -3.546255 1.215230 0.211579
C -4.452359 0.144230 0.399456
C 3.385000 0.823233 -0.660168
H 0.257755 -0.105736 1.321685
H -2.358059 -2.483142 -0.371756
H -1.516295 1.785729 -0.371248
H 4.118438 -1.039176 -0.051287
H -4.727404 -2.018863 0.327008
H -3.870385 2.247319 0.382259
H -5.480889 0.346593 0.717381


