%chk=000058048.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058048

0 1
 S   -1.518000      -2.436900     -0.4585000    
 O   0.5474000      0.6209000     -0.5791000    
 O    1.102700       1.582600       1.455400    
 O    4.277600     -0.5643000      -1.089500    
 N    2.757200      0.5157000      0.2255000    
 N    3.088800     -0.2351000      -1.015700    
 C   -1.660000      0.2214000      0.2656000    
 C   -1.264000      -1.125100      0.7746000    
 C  -0.7365000       1.035900     -0.3895000    
 C   -2.970400      0.6622000      0.4511000    
 C   -1.123200       2.291200     -0.8590000    
 C   -3.357000       1.917500     -1.8300001E-02
 C  -0.9376000      -3.835900      0.5269000    
 C   -2.433500       2.732100     -0.6733000    
 C   -1.033200      -5.124000     -0.2684000    
 C    1.453300      0.9573000      0.4554000    
 C    3.806300      0.7847000       1.196800    
 H  -0.2190000      -1.135300       1.099600    
 H   -1.856600      -1.367900       1.664900    
 H   -3.701600      3.8400002E-02  0.9585000    
 H  -0.4092000       2.930900      -1.370800    
 H   -4.377300       2.260600      0.1258000    
 H   0.1024000      -3.664500      0.8221000    
 H   -1.546200      -3.918800       1.432800    
 H   -2.734600       3.709400      -1.038900    
 H   -2.066300      -5.340600     -0.5613000    
 H  -0.4156000      -5.085800      -1.172200    
 H  -0.6789000      -5.963900      0.3386000    
 H    4.593000       1.375700      0.7184000    
 H    4.217500     -0.1656000       1.550600    
 H    3.424500       1.341700       2.056500    


%chk=000058048-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058048

0 1
S -1.877038 -2.619983 -0.421099
O 0.804770 1.168069 -0.524539
O 1.094738 0.800697 1.783304
O 4.626862 1.013395 -1.137412
N 2.938879 0.896359 0.333424
N 3.362233 1.074568 -1.024448
C -1.432329 0.166254 -0.077555
C -0.812081 -1.183283 0.224644
C -0.629992 1.289103 -0.396272
C -2.834742 0.379786 -0.038845
C -1.164025 2.556201 -0.691731
C -3.396523 1.643730 -0.318932
C -1.076365 -4.009652 0.594140
C -2.562969 2.735745 -0.653296
C -1.753449 -5.343284 0.247411
C 1.547926 0.945180 0.628154
C 3.923807 0.678805 1.411095
H 0.186797 -1.270603 -0.233849
H -0.710039 -1.319922 1.316892
H -3.481156 -0.471803 0.199319
H -0.485797 3.375130 -0.949290
H -4.483371 1.774102 -0.284883
H 0.000285 -4.034148 0.350240
H -1.197999 -3.761924 1.663663
H -2.993463 3.715941 -0.882430
H -2.833135 -5.315921 0.478900
H -1.636877 -5.583164 -0.824243
H -1.299120 -6.163624 0.833102
H 4.618255 1.534598 1.460740
H 4.513571 -0.229827 1.202019
H 3.374349 0.573975 2.356380


