%chk=000020294.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020294

1 1
 S   -3.981100       1.034700      -1.584100    
 O    2.251800      -1.330600      0.1327000    
 N   -1.479000      -1.367200      5.6299999E-02
 C  -6.3900001E-02  -1.850600     -0.2263000    
 C   -1.651100      4.4100001E-02 -0.4868000    
 C   -2.477100      -2.296100     -0.6199000    
 C   -1.724000      -1.366100       1.558300    
 C   0.9271000     -0.9048000      0.4232000    
 C   -3.024600      0.5922000     -0.2461000    
 C   -3.647100      0.7973000      0.9522000    
 C   -4.954100       1.335800      0.7745000    
 C   -5.263500       1.514800     -0.5559000    
 C    3.210900     -0.3548000      5.2200001E-02
 C    3.080200      0.8026000      0.8112000    
 C    4.304000     -0.5326000     -0.7878000    
 C    4.056000       1.795800      0.7286000    
 C    5.279800      0.4607000     -0.8702000    
 C    5.155700       1.624900     -0.1120000    
 H   4.2100001E-02  -2.871700      0.1595000    
 H   7.5900003E-02  -1.887100      -1.313600    
 H   -1.379500      2.5800001E-02  -1.549100    
 H  -0.9763000      0.7246000      3.9099999E-02
 H   -2.281000      -3.314800     -0.2705000    
 H   -3.497700      -2.011400     -0.3513000    
 H   -2.329700      -2.236100      -1.702500    
 H   -1.292600     -0.4716000       2.015800    
 H   -2.792700      -1.467800       1.762300    
 H   -1.241100      -2.255800       1.978500    
 H   0.8039000      9.7499996E-02  1.2300000E-02
 H   0.8194000     -0.8816000       1.511600    
 H   -3.216800      0.6521000       1.932000    
 H   -5.627600       1.593400       1.581500    
 H   -6.179700       1.908200     -0.9731000    
 H    2.257900      0.9629000       1.501700    
 H    4.404200      -1.437700      -1.380200    
 H    3.963700       2.699400       1.324200    
 H    6.136400      0.3275000      -1.524500    
 H    5.916500       2.397500     -0.1750000    


%chk=000020294-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020294

1 1
S -4.759964 0.206146 -1.380130
O 2.185860 -0.882866 -0.447065
N -1.536252 -1.223037 -0.007560
C -0.079994 -1.375841 -0.488269
C -2.058304 0.230097 -0.374199
C -2.370644 -2.278708 -0.730199
C -1.646330 -1.456123 1.494499
C 0.930867 -0.357561 0.070162
C -3.501450 0.475186 -0.101310
C -4.078510 1.029386 1.041069
C -5.500947 1.220147 0.943905
C -6.023029 0.829619 -0.280031
C 3.377292 -0.151182 -0.160274
C 3.407328 1.032380 0.609964
C 4.556085 -0.702646 -0.708500
C 4.652027 1.671090 0.828261
C 5.786398 -0.053564 -0.480395
C 5.840213 1.135333 0.287672
H 0.251704 -2.389197 -0.204048
H -0.091316 -1.312930 -1.589655
H -1.797188 0.356496 -1.439103
H -1.435660 0.913416 0.225838
H -1.947376 -3.271291 -0.511602
H -3.410201 -2.223994 -0.378535
H -2.335064 -2.089492 -1.814160
H -1.065964 -0.692649 2.032257
H -2.704668 -1.388174 1.784935
H -1.251331 -2.456826 1.728151
H 0.751370 0.668564 -0.310029
H 0.943445 -0.335172 1.179915
H -3.499053 1.318778 1.923168
H -6.113413 1.643374 1.742228
H -7.052884 0.868796 -0.631317
H 2.500248 1.468094 1.041681
H 4.495128 -1.620986 -1.300041
H 4.685589 2.589559 1.423678
H 6.703458 -0.476359 -0.903249
H 6.797830 1.635538 0.461086


