%chk=000121869.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121869

0 1
 S  -0.4019000      -2.427000      0.5176000    
 O    4.066400     -0.8820000     -0.9565000    
 N   0.3178000      8.6400002E-02  0.7985000    
 N   -4.282700      0.6483000      0.3259000    
 N    4.564500       1.293800     -0.5459000    
 C  -0.8552000     -0.7297000       1.070700    
 C    1.397800     -0.5155000      0.2101000    
 C    1.255100      -1.950400     -0.1155000    
 C    2.381200      0.4361000      7.8699999E-02
 C   0.5834000       1.386300       1.088800    
 C   -2.029900     -0.2294000      0.3081000    
 C    1.864300       1.640700      0.6354000    
 C   -2.007600     -0.1636000      -1.080800    
 C    3.673400      0.2161000     -0.5023000    
 C   -3.181300      0.1848000      0.9582000    
 C   -3.121400      0.3076000      -1.767000    
 C   -4.223900      0.6976000      -1.023900    
 H   -1.010400     -0.7310000       2.154900    
 H    1.293100      -2.123300      -1.194400    
 H    2.018300      -2.556200      0.3801000    
 H  -0.1396000       2.023900       1.578900    
 H    2.360100       2.598300      0.7148000    
 H   -1.135600     -0.4628000      -1.655400    
 H   -3.260800      0.1580000       2.040700    
 H   -3.125800      0.3698000      -2.849100    
 H   -5.117500       1.073100      -1.511500    
 H    4.336500       2.217600     -0.1947000    
 H    5.491400       1.178100     -0.9423000    


%chk=000121869-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121869

0 1
S -0.378517 -2.474279 0.246626
O 4.261891 -1.059615 -0.589085
N 0.342166 0.088540 0.604650
N -4.501258 0.335052 0.468992
N 4.772544 1.201517 -0.463567
C -0.856774 -0.718203 0.900250
C 1.520397 -0.533241 0.216154
C 1.474831 -2.023035 0.070527
C 2.507248 0.458839 0.072350
C 0.543696 1.470851 0.724365
C -2.117282 -0.206123 0.242388
C 1.878020 1.724659 0.397305
C -2.150259 0.161162 -1.126510
C 3.889330 0.137163 -0.345607
C -3.315323 -0.099129 0.989897
C -3.362543 0.618761 -1.679434
C -4.509176 0.686401 -0.849878
H -0.999226 -0.798838 1.992680
H 1.829882 -2.357519 -0.915460
H 2.056426 -2.539906 0.849975
H -0.262885 2.141801 1.009310
H 2.335505 2.714195 0.388347
H -1.243132 0.081967 -1.735089
H -3.334281 -0.372595 2.053070
H -3.429451 0.913251 -2.731267
H -5.470961 1.031042 -1.246284
H 4.499060 2.162953 -0.274748
H 5.729773 0.999930 -0.747858


