%chk=000011033.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011033

0 1
 S    1.181900      -1.256200     -0.2633000    
 O    1.191000      -2.578800      0.3481000    
 O    1.608700      -1.101500      -1.647300    
 O    2.424900       1.545100     -0.8222000    
 N    2.096500     -0.1885000      0.7165000    
 N   -4.279800       1.046700      0.2068000    
 N    3.372500       1.698200       1.258700    
 C  -0.4217000     -0.5796000     -0.1253000    
 C  -0.8499000      0.3906000      -1.031300    
 C   -1.274700      -1.009600      0.8910000    
 C   -2.984200      0.5009000      9.5399998E-02
 C   -2.131200      0.9310000     -0.9209000    
 C   -2.556000     -0.4694000       1.001400    
 C    2.622100       1.071100      0.2925000    
 H  -0.2027000      0.7443000      -1.828700    
 H  -0.9591000      -1.759400       1.611000    
 H   -2.452900       1.687200      -1.632400    
 H   -3.210900     -0.8117000       1.798700    
 H    2.339800     -0.5152000       1.660200    
 H   -4.590700       1.750600     -0.4494000    
 H   -4.898400      0.7357000      0.9439000    
 H    3.804200       2.600100       1.087300    
 H    3.518800       1.282200       2.172200    


%chk=000011033-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011033

0 1
S 1.175855 -1.287259 -0.156977
O 1.214344 -2.616711 0.782901
O 1.697336 -1.332045 -1.685325
O 1.939861 1.731711 -0.466988
N 2.281373 -0.177142 0.844981
N -4.396977 1.033504 0.095202
N 3.634634 1.723478 1.138521
C -0.517668 -0.525903 -0.065962
C -0.860046 0.505273 -0.960433
C -1.413459 -1.058339 0.879732
C -3.109697 0.514908 0.043207
C -2.163968 1.022008 -0.901825
C -2.715393 -0.533554 0.931006
C 2.587603 1.130643 0.439592
H -0.119016 0.899531 -1.660534
H -1.099007 -1.873371 1.539393
H -2.454942 1.829015 -1.583616
H -3.434463 -0.935189 1.653996
H 2.819473 -0.723216 1.526908
H -4.685942 1.776384 -0.534888
H -5.077630 0.678168 0.760651
H 3.853206 2.688977 0.903133
H 4.192723 1.242929 1.840224


