%chk=000044935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044935

0 1
 S  -2.5300000E-02  0.5477000       1.140400    
 S    2.061200       2.152100     -0.2228000    
 O   -3.190300     -0.9782000     -4.1000000E-03
 N    2.137800     -0.6016000     -4.3099999E-02
 C   -2.604200      0.2878000      0.2561000    
 C   -3.722700      0.1513000     -0.7083000    
 C   -1.177700      0.4047000     -0.2463000    
 C    1.499400      0.6242000      0.2305000    
 C    3.403100     -0.6805000     -0.7771000    
 C    1.618600      -1.907500      0.3746000    
 H   -2.816300      0.7974000       1.186300    
 H   -4.702100      0.5050000     -0.4135000    
 H   -3.514200      0.2242000      -1.767800    
 H   -1.100200       1.303200     -0.8669000    
 H  -0.9091000     -0.4589000     -0.8642000    
 H    3.723100      0.2675000      -1.209000    
 H    3.288500      -1.403900      -1.590800    
 H    4.178900      -1.030800     -8.9199997E-02
 H    1.005800      -2.306600     -0.4388000    
 H    1.023800      -1.853300       1.287200    
 H    2.453200      -2.589800      0.5653000    


%chk=000044935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044935

0 1
S -0.382749 -1.331587 -0.594526
S 1.044580 1.449745 -0.934673
O -3.414680 -0.157622 0.754542
N 2.215700 -0.874498 -0.055973
C -2.364224 0.608015 -0.022436
C -3.803782 1.023238 -0.100377
C -1.716654 -0.126576 -1.168871
C 1.102079 -0.206502 -0.502224
C 3.520781 -0.195084 0.086747
C 2.188325 -2.312992 0.296706
H -1.685237 1.192222 0.609823
H -4.137308 1.910690 0.451129
H -4.389047 0.769938 -0.994318
H -1.216389 0.581446 -1.853991
H -2.441446 -0.756108 -1.711235
H 3.407250 0.861750 -0.196161
H 4.270178 -0.671378 -0.572576
H 3.867129 -0.259668 1.134933
H 1.946999 -2.936213 -0.584251
H 1.438134 -2.513281 1.083156
H 3.181663 -2.601536 0.673078


