%chk=000112663.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112663

1 1
 S   -1.650000     -0.8747000      -1.824900    
 N   -1.434900      0.7468000      7.6399997E-02
 C    4.101000      0.3893000     -7.4600004E-02
 C    3.067600      0.4642000      -1.223600    
 C    4.087900      -1.037900      0.5323000    
 C    1.687200      1.9300001E-02 -0.7993000    
 C    5.504200      0.6919000     -0.6296000    
 C    3.781100       1.438700       1.012200    
 C    2.700000      -1.597400      0.7524000    
 C    1.616900      -1.084800      0.1415000    
 C   0.5787000      0.6118000      -1.268100    
 C    2.600800      -2.763600       1.691300    
 C  -0.8017000      0.2483000     -0.9155000    
 C   -2.712100      0.2471000      0.1953000    
 C  -0.8935000       1.730600      0.9902000    
 C   -3.019100     -0.6837000     -0.7895000    
 C   -3.651500      0.5944000       1.176500    
 C   -4.275300      -1.304300     -0.8340000    
 C   -1.169900       3.142400      0.5091000    
 C   -4.905800     -2.2299999E-02   1.135800    
 C   -5.211500     -0.9562000      0.1462000    
 H    3.392300     -0.1871000      -2.047200    
 H    3.038000       1.484600      -1.628100    
 H    4.634400      -1.027500       1.484300    
 H    4.622700      -1.733000     -0.1286000    
 H    6.263100      0.6283000      0.1583000    
 H    5.781800     -1.8200001E-02  -1.416600    
 H    5.550500       1.698600      -1.059900    
 H    4.538500       1.424700       1.804400    
 H    3.765800       2.449100      0.5878000    
 H    2.810900       1.266200       1.488400    
 H   0.6475000      -1.520100      0.3652000    
 H   0.6715000       1.434800      -1.973300    
 H    3.220000      -3.592000       1.332200    
 H    1.574200      -3.132400       1.787200    
 H    2.946700      -2.477600       2.689800    
 H   -1.301400       1.585300       1.995900    
 H   0.1860000       1.591700       1.112100    
 H   -3.450800       1.323100       1.954700    
 H   -4.520800      -2.031900      -1.600800    
 H  -0.7206000       3.321500     -0.4728000    
 H  -0.7556000       3.872000       1.211500    
 H   -2.245200       3.325900      0.4207000    
 H   -5.652200      0.2316000       1.884000    
 H   -6.193600      -1.422100      0.1345000    


%chk=000112663-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112663

1 1
S -1.266704 -1.348094 0.498773
N -1.795881 1.228057 0.340838
C 4.355259 0.268635 0.303868
C 3.077738 0.840251 -0.380242
C 4.474036 -1.228492 -0.100907
C 1.810941 0.051914 -0.075715
C 5.595431 1.043802 -0.200794
C 4.255852 0.407264 1.845725
C 3.185075 -2.013381 0.014551
C 1.950628 -1.382558 0.037685
C 0.614402 0.781001 0.017978
C 3.299913 -3.511196 0.103150
C -0.724294 0.360702 0.258876
C -3.065668 0.622498 0.542098
C -1.671041 2.709154 0.190311
C -2.985457 -0.788569 0.664956
C -4.320351 1.269740 0.627271
C -4.121321 -1.585619 0.883009
C -1.792816 3.164382 -1.276933
C -5.464534 0.476686 0.844780
C -5.371252 -0.933895 0.974135
H 3.234886 0.817343 -1.481045
H 2.948533 1.903242 -0.103558
H 5.266087 -1.727187 0.491812
H 4.813640 -1.297559 -1.159219
H 6.521960 0.624632 0.232587
H 5.686072 0.998077 -1.302502
H 5.544428 2.108141 0.093753
H 5.175663 0.028292 2.326950
H 4.145170 1.468791 2.134120
H 3.399362 -0.150622 2.265103
H 1.065097 -2.016709 0.140541
H 0.727806 1.861894 -0.121232
H 3.933499 -3.903980 -0.715745
H 2.323115 -4.020075 0.065397
H 3.808649 -3.803631 1.043603
H -2.460147 3.162349 0.812161
H -0.712640 3.024297 0.632833
H -4.418100 2.353487 0.522067
H -4.047993 -2.672455 0.979111
H -0.991229 2.736829 -1.903291
H -1.717766 4.264400 -1.328018
H -2.763007 2.868458 -1.711061
H -6.443496 0.960388 0.912719
H -6.275748 -1.525284 1.143302


