%chk=000113884.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113884

0 1
 S   0.8375000      -1.074800     -0.8036000    
 S    5.440400     -0.6928000     -0.3488000    
 O    3.526600      0.4584000      -2.200700    
 N  -0.4857000       1.173900     -0.1949000    
 C   -1.477000      0.1552000     -0.1697000    
 C   -2.880600      0.2372000      9.8700002E-02
 C  -0.9189000      -1.121400     -0.4680000    
 C   -3.631700     -0.9798000      6.7100003E-02
 C   0.7826000      0.6757000     -0.5320000    
 C   -1.661300      -2.288000     -0.4977000    
 C   -3.016800      -2.207800     -0.2251000    
 C   -3.630600       1.408400      0.3928000    
 C  -0.7668000       2.562600      0.1174000    
 C   -5.013000     -0.9847000      0.3248000    
 C    1.934700       1.352900     -0.6735000    
 C   -5.006900       1.385400      0.6459000    
 C   -5.698400      0.1883000      0.6138000    
 C    3.176800      0.6292000      -1.038000    
 C    4.028900      0.1293000      6.8099998E-02
 C    3.801300      0.2587000       1.385600    
 C    4.850700     -0.3549000       2.128600    
 C    5.808200     -0.9111000       1.309200    
 H   -1.207100      -3.246800     -0.7261000    
 H   -3.600300      -3.127200     -0.2472000    
 H   -3.176400       2.388900      0.4326000    
 H   -1.440100       2.999500     -0.6267000    
 H   -1.179600       2.659900       1.126700    
 H   0.1319000       3.186600      0.1100000    
 H   -5.577400      -1.915800      0.3007000    
 H    2.024100       2.423700     -0.5429000    
 H   -5.531100       2.311000      0.8664000    
 H   -6.765800      0.1650000      0.8092000    
 H    2.954200      0.7534000       1.842600    
 H    4.901200     -0.3864000       3.209300    
 H    6.706000      -1.435200       1.605000    


%chk=000113884-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113884

0 1
S 0.981494 -1.008974 -0.034919
S 5.531556 -0.232209 -0.741706
O 3.913483 2.258448 -1.510347
N -0.516033 1.190603 -0.000635
C -1.455297 0.126316 0.069364
C -2.897858 0.204844 0.067295
C -0.824643 -1.131658 0.127778
C -3.625875 -1.037787 0.290929
C 0.831202 0.814551 -0.176882
C -1.537271 -2.341340 0.315428
C -2.927049 -2.282553 0.426792
C -3.664790 1.391092 -0.200345
C -0.822092 2.597955 0.318585
C -5.059273 -1.011173 0.332503
C 1.843341 1.710421 -0.477493
C -5.061742 1.374145 -0.174802
C -5.770636 0.169251 0.118236
C 3.273956 1.485614 -0.709705
C 4.004412 0.404999 -0.000644
C 3.807178 -0.141793 1.267719
C 4.820183 -1.082084 1.662313
C 5.805341 -1.253945 0.697249
H -1.004457 -3.294693 0.378618
H -3.505227 -3.198185 0.590508
H -3.165130 2.321993 -0.473100
H -1.035359 3.196741 -0.586267
H -1.682026 2.642225 1.003136
H 0.050321 3.037512 0.829793
H -5.590766 -1.951663 0.519585
H 1.538345 2.720859 -0.776148
H -5.617703 2.291818 -0.394965
H -6.865153 0.171866 0.148302
H 2.967028 0.143340 1.905075
H 4.822617 -1.604566 2.621855
H 6.677523 -1.905470 0.726498


