%chk=000070808.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070808

0 1
 S   -1.013500       1.306900      0.2217000    
 O   -1.415500       1.306800       1.615300    
 O  -0.9506000       2.551900     -0.5197000    
 N   -1.971600      0.1995000     -0.6418000    
 C   -2.069300      -1.204400     -0.1867000    
 C   0.5865000      0.5628000      0.1158000    
 C   -3.420300      -1.794200     -0.5722000    
 C    1.413600      0.8875000     -0.9452000    
 C   0.9814000     -0.3315000       1.095400    
 C    3.090600     -0.6042000     -5.0999999E-02
 C   -4.590100      -1.026800      2.7799999E-02
 C    2.675600      0.2994000      -1.029200    
 C    2.243500     -0.9196000       1.011300    
 C    4.439700      -1.234000     -0.1416000    
 H   -1.947700      -1.264400      0.8995000    
 H   -1.270200      -1.784900     -0.6592000    
 H   -2.103500      0.3503000      -1.649800    
 H   -3.524700      -1.801300      -1.663800    
 H   -3.464100      -2.837000     -0.2377000    
 H    1.106100       1.581500      -1.721200    
 H   0.3358000     -0.5927000       1.928100    
 H   -4.641800     -3.8000001E-03 -0.3573000    
 H   -5.532700      -1.524100     -0.2226000    
 H   -4.510700     -0.9817000       1.118700    
 H    3.325100      0.5501000      -1.863800    
 H    2.554400      -1.624300       1.778100    
 H    4.381100      -2.166600     -0.7116000    
 H    5.155200     -0.5662000     -0.6333000    
 H    4.840100      -1.455400      0.8536000    


%chk=000070808-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070808

0 1
S -0.991796 1.218472 0.254182
O -1.425089 1.111900 1.816702
O -1.005786 2.597148 -0.605212
N -2.154326 0.113037 -0.631741
C -2.368812 -1.235253 -0.061151
C 0.759540 0.494385 0.120839
C -3.714335 -1.802167 -0.576297
C 1.566528 0.899523 -0.954941
C 1.191157 -0.398284 1.115496
C 3.348246 -0.564103 -0.073367
C -4.934702 -0.989959 -0.099144
C 2.868666 0.359050 -1.041106
C 2.497070 -0.925452 1.005218
C 4.740637 -1.156275 -0.191431
H -2.418329 -1.115149 1.036931
H -1.541392 -1.940195 -0.299959
H -1.948963 0.165307 -1.642351
H -3.694763 -1.845180 -1.684248
H -3.788110 -2.850683 -0.223996
H 1.200173 1.638861 -1.675090
H 0.540590 -0.640697 1.962280
H -4.837443 0.066386 -0.401551
H -5.871198 -1.394652 -0.524082
H -5.019621 -1.016380 1.003002
H 3.523598 0.666447 -1.864540
H 2.862344 -1.617538 1.772804
H 4.716269 -2.112380 -0.749473
H 5.425319 -0.479050 -0.730404
H 5.176930 -1.367521 0.800227


