%chk=000100235.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100235

0 1
 S   0.7917000       2.372000     -0.5574000    
 O   0.3238000      -2.586400      0.5798000    
 N   0.4892000     -0.3133000     -3.3000000E-02
 N    2.669000      0.5775000     -0.4632000    
 C  -0.9378000     -0.1486000     -3.3399999E-02
 C    1.383500      0.7234000     -0.3620000    
 C   0.9823000      -1.592500      0.2787000    
 C   -1.596700      0.2295000       1.136500    
 C   -1.664400     -0.3660000      -1.203900    
 C   -2.982400      0.3903000       1.135700    
 C   -3.050000     -0.2051000      -1.204800    
 C    2.451600      -1.729000      0.1642000    
 C   -3.708900      0.1730000     -3.4899998E-02
 C    3.167100     -0.6674000     -0.2099000    
 C    1.681800       3.142700      0.8074000    
 H   -1.040100      0.4015000       2.054200    
 H   -1.160900     -0.6609000      -2.121000    
 H    2.907400      -2.690800      0.3637000    
 H   -3.495400      0.6848000       2.046500    
 H   -3.615800     -0.3743000      -2.116300    
 H   -4.787700      0.2983000     -3.5599999E-02
 H    4.243500     -0.7621000     -0.3111000    
 H    1.468100       2.623600       1.745900    
 H    1.360700       4.183200      0.9059000    
 H    2.759700       3.130900      0.6250000    


%chk=000100235-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100235

0 1
S 0.484378 2.366968 0.202878
O 0.169140 -2.729123 0.073082
N 0.434115 -0.376991 0.134603
N 2.610528 0.638289 0.257198
C -1.014597 -0.213965 0.069296
C 1.283241 0.724670 0.199136
C 0.961994 -1.750300 0.129368
C -1.766502 -0.202584 1.263723
C -1.641304 -0.090176 -1.189323
C -3.168639 -0.051457 1.195067
C -3.043835 0.060661 -1.250036
C 2.415152 -1.799402 0.193468
C -3.807444 0.082154 -0.059726
C 3.163350 -0.636515 0.252900
C 2.025245 3.444000 0.306691
H -1.258959 -0.318048 2.226747
H -1.037714 -0.118404 -2.102137
H 2.880633 -2.787335 0.192130
H -3.759794 -0.043170 2.116906
H -3.538362 0.156318 -2.222461
H -4.895798 0.196491 -0.109943
H 4.256733 -0.667302 0.300725
H 2.579925 3.205915 1.223904
H 1.647228 4.478382 0.323695
H 2.660588 3.265224 -0.570890


