%chk=000054779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054779

0 1
 S   -1.016700       1.608000     -0.7507000    
 S   -1.348200      -1.420000     -0.7622000    
 O    2.828300      8.3600000E-02 -0.4654000    
 N   0.8958000     -0.1349000      0.2974000    
 N    1.672800     -0.2378000     -0.7598000    
 C   0.2305000       1.165200      0.5234000    
 C  -2.7600000E-02  -1.268800      0.5097000    
 C   -2.168000      0.2013000     -0.5805000    
 C    1.218500       2.330900      0.6767000    
 C   0.7081000      -2.613000      0.6123000    
 C   -2.993500      0.2854000      0.6992000    
 H  -0.2948000       1.121400       1.485000    
 H  -0.5239000      -1.141000       1.479200    
 H   -2.861600      0.2805000      -1.424100    
 H   0.6999000       3.241800      0.9981000    
 H    1.966800       2.102700       1.444600    
 H    1.748700       2.559400     -0.2547000    
 H    1.491300      -2.563900       1.378000    
 H   2.0300001E-02  -3.413200      0.9102000    
 H    1.180300      -2.910000     -0.3310000    
 H   -3.740700     -0.5162000      0.7313000    
 H   -2.391400      0.2107000       1.609200    
 H   -3.544100       1.232400      0.7437000    


%chk=000054779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054779

0 1
S -0.957240 1.609851 -0.868009
S -1.407215 -1.532704 -0.696022
O 2.568723 0.538275 -1.019079
N 0.858000 -0.180729 0.294271
N 1.966080 -0.473085 -0.523651
C 0.265733 1.153446 0.540938
C 0.010826 -1.341219 0.608388
C -2.204347 0.192503 -0.593212
C 1.238943 2.320413 0.759107
C 0.754391 -2.679412 0.646224
C -3.060431 0.384583 0.666565
H -0.359188 1.029772 1.442470
H -0.484403 -1.140258 1.573262
H -2.831336 0.230055 -1.500749
H 0.674965 3.165200 1.191831
H 2.031933 2.025776 1.469576
H 1.722046 2.640334 -0.173713
H 1.600271 -2.622392 1.353325
H 0.059531 -3.468275 0.981682
H 1.155402 -2.946053 -0.342968
H -3.824793 -0.410304 0.730555
H -2.459191 0.343347 1.592530
H -3.567901 1.365376 0.636280


