%chk=000158673.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158673

0 1
 S  -0.9116000      -1.661200     -0.6428000    
 S    1.833700      0.2634000       1.244800    
 O   -2.106600      -2.448900     -0.9047000    
 O   0.1245000      -1.567800      -1.659700    
 N  -0.2045000      -2.200700      0.8149000    
 N    1.664100      0.8678000      -1.239400    
 N    2.996700      0.5659000      -1.018600    
 N    4.429400     -0.1101000      0.7473000    
 C   -1.399800     -2.7500000E-02 -0.2358000    
 C  -0.4685000      0.9902000     -2.9999999E-02
 C   -2.763600      0.2413000     -0.1197000    
 C  -0.9008000       2.276700      0.2923000    
 C   0.9523000      0.7488000     -0.1420000    
 C   -3.195900       1.527800      0.2026000    
 C   -2.264600       2.545500      0.4087000    
 C   -1.005000      -2.246000       2.047000    
 C    3.220200      0.2349000      0.2352000    
 H   -3.515500     -0.5276000     -0.2699000    
 H  -0.1894000       3.083100      0.4551000    
 H   0.8102000      -2.099600      0.9395000    
 H   -4.257600       1.737200      0.2942000    
 H   -2.601400       3.547000      0.6596000    
 H  -0.5965000      -3.018100       2.705000    
 H   -2.047600      -2.496500       1.836800    
 H  -0.9528000      -1.285500       2.565300    
 H    5.265700     -0.1356000      0.1734000    
 H    4.545300     -0.3576000       1.724500    


%chk=000158673-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158673

0 1
S -0.977564 -1.796448 -0.436717
S 2.022787 -0.237763 1.021727
O -2.428919 -2.462574 -0.745162
O 0.263618 -1.874123 -1.474945
N -0.409810 -2.645601 1.076621
N 1.864668 1.649742 -0.868521
N 3.228487 1.408231 -0.727376
N 4.769152 0.049893 0.489902
C -1.374670 0.067571 -0.065510
C -0.387929 1.085723 -0.038187
C -2.751898 0.330365 0.022482
C -0.864152 2.427207 0.055683
C 1.072729 0.903628 -0.109889
C -3.190380 1.667875 0.141831
C -2.241027 2.714577 0.141933
C -1.378560 -2.731359 2.182850
C 3.500071 0.461662 0.184381
H -3.458622 -0.502965 -0.052554
H -0.122852 3.232044 0.056700
H 0.553339 -2.343261 1.288253
H -4.261024 1.885083 0.210305
H -2.571192 3.756398 0.209374
H -1.005323 -3.493445 2.889671
H -2.337423 -3.094235 1.776678
H -1.547557 -1.781364 2.733544
H 5.540698 0.476668 -0.020425
H 4.953753 -0.706628 1.140950


