%chk=000122394.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122394

0 1
 S   -3.715900      0.5146000     -2.4400000E-02
 S    4.681200      0.5686000     -0.9860000    
 O   -3.980800      0.9424000      -1.579300    
 O   -4.604300     -0.5997000      0.2682000    
 O   -3.742700       1.720200      0.7879000    
 N    1.492700      0.8389000      0.5037000    
 N    1.887000      -1.319000      0.1454000    
 C   0.2624000      0.2727000      0.2885000    
 C   0.5352000      -1.074300      6.7199998E-02
 C    2.430300     -0.1515000      0.4081000    
 C   -2.073400     -8.3999999E-02  1.1100000E-02
 C   -1.026500      0.8070000      0.2690000    
 C  -0.5287000      -1.955300     -0.1903000    
 C   -1.831100      -1.441100     -0.2147000    
 C    3.865900      0.1327000      0.5888000    
 C    6.348800      0.8278000     -0.3432000    
 H    1.671000       1.815500      0.6974000    
 H   -1.189100       1.865100      0.4402000    
 H  -0.3503000      -3.011000     -0.3686000    
 H   -2.648200      -2.127600     -0.4220000    
 H    4.007100      0.9548000       1.298900    
 H    4.361200     -0.7528000       1.001300    
 H   -3.920900      0.2090000      -2.235800    
 H    6.729000     -8.9599997E-02  0.1136000    
 H    6.353000       1.635300      0.3936000    
 H    7.012800       1.106200      -1.165800    


%chk=000122394-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122394

0 1
S -3.308092 0.941011 -0.009526
S 5.069202 1.033665 -0.738426
O -3.892947 0.094726 -1.559043
O -4.261498 0.465518 1.208920
O -3.106162 2.515323 -0.329864
N 1.952565 0.404701 -0.841381
N 2.132908 -1.610566 0.219278
C 0.659742 0.096361 -0.407944
C 0.789677 -1.180858 0.252610
C 2.792910 -0.642363 -0.444647
C -1.650273 0.093248 0.072555
C -0.570033 0.768988 -0.515516
C -0.339736 -1.807437 0.828096
C -1.585059 -1.157443 0.731884
C 4.251029 -0.673010 -0.788467
C 4.979998 1.351077 1.118598
H 2.284052 1.255090 -1.300273
H -0.704295 1.741661 -0.998037
H -0.240544 -2.773580 1.329575
H -2.489718 -1.590561 1.168368
H 4.771622 -1.363149 -0.107318
H 4.412726 -1.018916 -1.825134
H -4.841169 0.378431 -1.713396
H 5.573104 0.596228 1.657064
H 3.934302 1.336137 1.463708
H 5.411390 2.350617 1.281117


