%chk=000053440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053440

0 1
 S   -3.282600      -1.014900      0.3022000    
 O  -0.8287000      -2.129500     -0.7463000    
 N    2.706100      0.7266000     -0.3973000    
 C    1.460700      6.5600000E-02  1.6600000E-02
 C    1.959200      -1.265900      0.5821000    
 C    3.395400      -1.003700       1.022200    
 C    3.655200      0.4552000      0.6853000    
 C   0.4756000     -0.1398000      -1.127300    
 C    2.551700       2.158100     -0.6261000    
 C  -0.7623000     -0.9036000     -0.6888000    
 C   -1.932100     -0.1331000     -0.1733000    
 C   -2.020800       1.195500     -4.8200000E-02
 C   -3.295800       1.548000      0.4811000    
 C   -4.081600      0.4416000      0.7177000    
 H   0.9805000      0.6273000      0.8305000    
 H    1.954900      -2.066500     -0.1674000    
 H    1.342800      -1.595400       1.425700    
 H    3.535600      -1.201200       2.089800    
 H    4.078200      -1.657600      0.4671000    
 H    3.454000       1.078600       1.566200    
 H    4.692000      0.6176000      0.3741000    
 H   0.9418000     -0.7239000      -1.932700    
 H   0.1822000      0.8048000      -1.594900    
 H    3.517700       2.608100     -0.8811000    
 H    2.152200       2.680600      0.2505000    
 H    1.886300       2.350400      -1.473600    
 H   -1.257200       1.920700     -0.2948000    
 H   -3.619700       2.561300      0.6799000    
 H   -5.086500      0.4189000       1.115100    


%chk=000053440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053440

0 1
S -3.428865 -1.055680 0.238156
O -0.783529 -2.285835 -0.616693
N 2.595900 0.882340 -0.199883
C 1.408271 0.092088 0.225082
C 1.992026 -1.152299 0.962388
C 3.499449 -1.151267 0.591112
C 3.810366 0.353079 0.464754
C 0.545658 -0.284004 -1.031698
C 2.441366 2.339426 -0.216002
C -0.738186 -1.013762 -0.655893
C -1.911902 -0.205430 -0.282217
C -2.083353 1.181970 -0.244163
C -3.388241 1.595013 0.188141
C -4.224352 0.522846 0.482383
H 0.764856 0.682543 0.919337
H 1.476888 -2.082932 0.670567
H 1.873632 -1.030049 2.054763
H 4.125271 -1.654055 1.347860
H 3.661274 -1.649776 -0.381401
H 3.971120 0.802084 1.478348
H 4.709606 0.562504 -0.144002
H 1.149115 -0.951860 -1.668815
H 0.333495 0.638939 -1.601092
H 3.339903 2.807802 -0.657048
H 2.286767 2.782731 0.801013
H 1.578980 2.627727 -0.845786
H -1.293442 1.883292 -0.524559
H -3.698977 2.638627 0.275717
H -5.258296 0.547736 0.823933


