%chk=000094926.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094926

0 1
 S   -4.642300     -0.7803000     -0.3031000    
 O   -4.368300      -1.622700      -1.677300    
 O   -4.959000      -1.751500      0.7339000    
 O   -5.564700      0.3012000     -0.6129000    
 N    1.656800       1.412400      9.9699996E-02
 C   0.6462000       1.760700       1.074900    
 C    1.870500       2.311200      -1.033900    
 C    2.428200      0.2515000      0.2338000    
 C  -0.6627000       1.132200      0.7349000    
 C    2.910900     -0.4131000     -0.8998000    
 C  -0.9786000     -0.1329000       1.230100    
 C   -1.570800       1.809200     -7.9200000E-02
 C    2.724400     -0.2578000       1.503800    
 C    3.287800       2.850700      -1.012700    
 C    3.678400      -1.570000     -0.7656000    
 C   -3.110500     -4.4199999E-02  9.6799999E-02
 C   -2.202500     -0.7211000      0.9110000    
 C   -2.794700       1.221100     -0.3982000    
 C    3.492000      -1.414800       1.638300    
 C    3.968900      -2.070800      0.5035000    
 C    4.190000      -2.271100      -1.978200    
 H   0.5183000       2.852200       1.102900    
 H   0.9173000       1.529100       2.109500    
 H    1.647700       1.817700      -1.986100    
 H    1.182900       3.164200     -0.9814000    
 H    2.688300     -5.9400000E-02  -1.902500    
 H  -0.2841000     -0.6717000       1.868400    
 H   -1.338000       2.794900     -0.4734000    
 H    2.407300      0.2280000       2.420100    
 H    3.514000       3.325900     -5.1800001E-02
 H    4.040800       2.077600      -1.189300    
 H    3.410000       3.605700      -1.796400    
 H   -2.424600      -1.709700       1.302800    
 H   -3.482200       1.764200      -1.040400    
 H    3.725000      -1.800900       2.626400    
 H    4.568800      -2.969100      0.6227000    
 H    5.095700      -1.777100      -2.343700    
 H    4.428600      -3.318700      -1.765100    
 H    3.439000      -2.269100      -2.775600    
 H   -3.703000      -2.346800      -1.603600    


%chk=000094926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000094926

0 1
S -5.045125 -0.571227 0.400204
O -5.547033 0.161226 -1.237357
O -5.028209 -2.182547 0.256782
O -5.919242 0.139876 1.561719
N 1.687098 0.974727 -0.451966
C 0.723421 1.671857 0.400775
C 1.832113 1.482986 -1.830771
C 2.540239 -0.023705 0.068584
C -0.702569 1.103974 0.384779
C 3.678346 -0.481493 -0.662697
C -0.975427 -0.171963 -0.165527
C -1.763470 1.866261 0.940272
C 2.277269 -0.624694 1.339079
C 2.845981 2.643686 -1.974589
C 4.531250 -1.491149 -0.159046
C -3.302468 0.105126 0.385464
C -2.289689 -0.688805 -0.173226
C -3.084885 1.374186 0.946406
C 3.133158 -1.624156 1.842259
C 4.255239 -2.065802 1.107351
C 5.753295 -1.923743 -0.953900
H 0.675489 2.734309 0.087897
H 1.094634 1.688326 1.444286
H 2.115135 0.645917 -2.494986
H 0.834971 1.820876 -2.172751
H 3.921825 -0.039023 -1.634222
H -0.153654 -0.754791 -0.592581
H -1.559223 2.855686 1.367216
H 1.391881 -0.345546 1.919074
H 2.549124 3.508953 -1.353776
H 3.856580 2.332722 -1.658234
H 2.898279 2.983186 -3.025790
H -2.516250 -1.678148 -0.582684
H -3.913144 1.945421 1.376768
H 2.906203 -2.076206 2.814836
H 4.906938 -2.850427 1.507750
H 6.627587 -1.286115 -0.717737
H 6.035403 -2.965424 -0.720544
H 5.578987 -1.852588 -2.042389
H -6.498259 -0.104852 -1.403431


