%chk=000066638.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066638

0 1
 S   -4.018600      9.9299997E-02  4.9100000E-02
 O    2.274500      -2.328700      0.3763000    
 O   -4.448200      0.6673000      -1.422600    
 O   -4.494300      -1.274200      0.1292000    
 O   -4.416700       1.081200       1.045800    
 N    1.911300     -1.5100000E-02  4.4999998E-03
 N    2.688000       1.106500     -0.1858000    
 C    4.091300     -0.7403000      9.8300003E-02
 C   0.5260000      1.1700000E-02  1.5200000E-02
 C    3.923700      0.7236000     -0.1378000    
 C    2.660800      -1.187800      0.1865000    
 C   -2.273100      6.5800004E-02  3.6300000E-02
 C  -0.2061000      -1.103800     -0.4078000    
 C  -0.1562000       1.154600      0.4489000    
 C   -1.600600      -1.076900     -0.3974000    
 C   -1.550700       1.181500      0.4594000    
 C    5.088800       1.635300     -0.2981000    
 H    4.594900      -1.212500     -0.7471000    
 H    4.614300     -0.9222000       1.038800    
 H   0.2699000      -1.997300     -0.7993000    
 H   0.3845000       2.034900      0.7880000    
 H   -2.143000      -1.950600     -0.7476000    
 H   -2.052200       2.084800      0.7952000    
 H    5.704000       1.598900      0.6046000    
 H    4.750700       2.661600     -0.4629000    
 H    5.687400       1.311300      -1.153300    
 H   -4.169700      0.1115000      -2.188100    


%chk=000066638-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066638

0 1
S -4.066708 0.168470 0.074244
O 2.465445 -2.519041 -0.310933
O -4.310029 0.356792 -1.762151
O -4.709441 -1.245305 0.528039
O -4.524456 1.546491 0.790568
N 1.979373 -0.185317 -0.060698
N 2.721730 1.043914 0.056768
C 4.247012 -0.748669 -0.150827
C 0.561017 -0.118081 -0.034658
C 4.005878 0.736338 0.007310
C 2.823777 -1.320817 -0.191045
C -2.209314 0.053833 0.018962
C -0.218844 -1.304288 -0.139600
C -0.064784 1.151612 0.104908
C -1.623637 -1.214780 -0.115898
C -1.467681 1.241887 0.128632
C 5.064489 1.791249 0.104203
H 4.794168 -1.003013 -1.076767
H 4.817231 -1.186970 0.688389
H 0.273654 -2.272961 -0.241155
H 0.555633 2.045280 0.189074
H -2.245179 -2.112672 -0.184893
H -1.971911 2.206023 0.244682
H 5.726794 1.608760 0.971436
H 4.605961 2.786916 0.213056
H 5.706475 1.792457 -0.796859
H -5.295952 0.422294 -1.926487


