%chk=000077542.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077542

0 1
 S    4.184600      8.1500001E-02  0.2315000    
 O   -1.655000      0.8091000     -0.5228000    
 O   -2.009300      -1.128200      0.7130000    
 N   -3.796000      7.3600002E-02 -0.1502000    
 C  -0.3153000      0.6425000     -0.3497000    
 C    2.430600      0.3005000      5.2999998E-03
 C   0.4202000     -9.9399999E-02  -1.273800    
 C   0.3219000       1.213400      0.7520000    
 C    1.793100     -0.2704000      -1.096300    
 C    1.694900       1.042500      0.9296000    
 C   -2.459000     -0.1787000      7.8400001E-02
 C    4.252000      -1.720100      0.3404000    
 C   -4.862800     -0.7663000      0.3425000    
 H  -6.9799997E-02 -0.5446000      -2.135500    
 H  -0.2453000       1.792800       1.475500    
 H    2.346200     -0.8447000      -1.835200    
 H    2.174200       1.494700       1.794500    
 H   -4.043600      0.8949000     -0.6934000    
 H    3.576100      -2.085900       1.118500    
 H    5.270300      -2.024000      0.5983000    
 H    3.990600      -2.182700     -0.6149000    
 H   -4.473000      -1.615700      0.9083000    
 H   -5.438500      -1.124100     -0.5146000    
 H   -5.507300     -0.1587000      0.9823000    


%chk=000077542-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077542

0 1
S 4.301996 0.129126 -0.555368
O -1.700872 0.448842 0.362091
O -2.600652 -1.316920 -0.981163
N -3.927325 0.128407 0.311417
C -0.318569 0.270617 0.080041
C 2.474959 0.165716 -0.284986
C 0.224835 -0.685336 -0.811581
C 0.514965 1.171976 0.781921
C 1.626874 -0.719965 -0.987735
C 1.911883 1.115895 0.600413
C -2.742980 -0.354453 -0.190091
C 4.749910 -1.353579 0.535318
C -5.220196 -0.461143 -0.044989
H -0.427587 -1.371829 -1.351956
H 0.059928 1.900756 1.459162
H 2.060888 -1.438911 -1.690775
H 2.565379 1.808053 1.140513
H -3.876593 0.923586 0.948445
H 4.496498 -1.139843 1.584728
H 5.836999 -1.497255 0.429552
H 4.217271 -2.251283 0.186229
H -5.035160 -1.291189 -0.744773
H -5.874503 0.279950 -0.539591
H -5.738149 -0.859217 0.846880


