%chk=000114812.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114812

0 1
 S    1.194000      0.3743000      0.1769000    
 O   -1.357800      -2.208800       1.170200    
 O  -0.5151000      -2.813000     -0.8460000    
 O   -3.449900       1.416100     -0.9627000    
 N   -2.063000      0.1834000      0.4436000    
 N    4.924100     -0.6055000      0.7589000    
 C   -1.354500     -0.5547000     -0.5721000    
 C  -0.1216000      0.2011000      -1.074100    
 C    2.404300       1.241900     -0.8453000    
 C   -1.022500      -1.966900     -0.1196000    
 C   -3.054300       1.109500      0.1589000    
 C    3.686100       1.558700     -8.0200002E-02
 C   -3.646600       1.715400       1.403000    
 C    4.377000      0.3484000      0.3886000    
 H   -2.048700     -0.6730000      -1.414400    
 H  -0.4095000       1.203000      -1.411100    
 H   0.3046000     -0.3341000      -1.930100    
 H   -1.808700      1.9800000E-02   1.413800    
 H    2.636700      0.6219000      -1.718400    
 H    1.960300       2.177500      -1.201400    
 H    3.466900       2.214600      0.7710000    
 H    4.359100       2.120200     -0.7392000    
 H   -4.283400       2.562500       1.133500    
 H   -4.247100      0.9649000       1.924200    
 H   -2.852100       2.071300       2.065300    
 H   -1.141400      -3.126800       1.439600    


%chk=000114812-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114812

0 1
S 0.863567 1.783987 -0.551050
O -0.011217 -1.367520 1.291387
O 0.698789 -1.797596 -0.884046
O -3.655648 1.021305 -0.747625
N -1.922902 0.280985 0.599593
N 2.702496 -1.058936 1.581090
C -1.181650 -0.269794 -0.536267
C -0.530213 0.829062 -1.423831
C 2.414331 0.954855 -1.283026
C -0.086341 -1.238083 -0.084367
C -3.150602 0.890698 0.412942
C 3.503482 0.754338 -0.194245
C -3.845056 1.391722 1.673052
C 3.098907 -0.237823 0.814839
H -1.893235 -0.811798 -1.193053
H -1.299952 1.569140 -1.689215
H -0.116661 0.383502 -2.342482
H -1.522275 0.139330 1.529134
H 2.113374 -0.013618 -1.711604
H 2.815707 1.610348 -2.072648
H 3.728272 1.712579 0.310640
H 4.440300 0.410480 -0.674942
H -3.990393 2.483271 1.596674
H -4.846899 0.933590 1.737366
H -3.288057 1.169373 2.599088
H 0.898777 -1.701696 1.575494


