%chk=000112750.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112750

0 1
 S   0.9958000       1.996700      7.7799998E-02
 O   0.8768000       3.112200     -0.8411000    
 O    1.294600       2.226400       1.478200    
 O    3.601400     -0.9014000     -0.5816000    
 O   -4.850800      -1.104400      -1.121300    
 O    2.513500     -0.3973000       1.377300    
 N    2.100900      0.8570000     -0.5543000    
 C  -0.5110000       1.074500      2.0099999E-02
 C  -0.8766000      0.3076000       1.113000    
 C   -1.298000       1.135600      -1.117200    
 C   -2.870700     -0.3704000     -7.0500001E-02
 C   -2.065600     -0.4206000       1.067400    
 C   -2.487000      0.4076000      -1.162800    
 C   -4.110100      -1.129700     -0.1181000    
 C    2.732500     -0.1850000      0.1909000    
 C    4.286700      -1.970200      8.0200002E-02
 C   -4.535500      -1.982300       1.072300    
 C    5.203300      -2.656200     -0.9103000    
 H  -0.2625000      0.2509000       2.006300    
 H   -1.011900       1.730000      -1.979400    
 H   -2.325800      -1.013800       1.938400    
 H   -3.096500      0.4614000      -2.061000    
 H    2.378600      0.9701000      -1.537500    
 H    4.875600      -1.566800      0.9115000    
 H    3.555300      -2.688600      0.4667000    
 H   -4.683900      -1.353600       1.954100    
 H   -3.794300      -2.762900       1.262500    
 H   -5.488000      -2.470000      0.8409000    
 H    5.744000      -3.480400     -0.4367000    
 H    4.630700      -3.049000      -1.757000    
 H    5.929000      -1.945900      -1.319600    


%chk=000112750-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112750

0 1
S 1.024276 2.016231 -0.049935
O 0.965304 3.092939 -1.262294
O 1.416351 2.449761 1.454640
O 3.798482 -0.856398 -0.600469
O -5.061588 -1.000911 -1.021519
O 2.070853 -0.793705 1.004452
N 2.264053 0.808708 -0.707700
C -0.578958 1.017527 -0.024761
C -0.866968 0.246953 1.110980
C -1.424922 1.144323 -1.139807
C -2.983650 -0.366620 0.015027
C -2.093622 -0.451706 1.118852
C -2.641600 0.435955 -1.107816
C -4.304536 -1.101297 -0.014072
C 2.659537 -0.319258 0.002385
C 4.300691 -2.131828 0.006445
C -4.700082 -1.955890 1.181922
C 5.553442 -2.516630 -0.771737
H -0.159978 0.190061 1.942171
H -1.144578 1.784197 -1.982422
H -2.344663 -1.064003 1.990001
H -3.349874 0.488726 -1.940745
H 2.832044 1.179104 -1.478041
H 4.502853 -1.946769 1.076299
H 3.500755 -2.889807 -0.073100
H -4.761129 -1.347057 2.103357
H -3.958104 -2.756053 1.362500
H -5.681606 -2.413223 0.987931
H 5.969100 -3.455725 -0.363198
H 5.324092 -2.674161 -1.839276
H 6.324523 -1.731944 -0.690872


