%chk=000138047.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138047

0 1
 S  -1.3700000E-02  0.2927000     -0.6949000    
 O  -2.1500001E-02 -0.6449000      -1.805000    
 O  -0.2254000       1.703600     -0.9704000    
 N   -1.187100     -0.2172000      0.4535000    
 N    1.475200      0.1226000      0.1479000    
 C   -1.577600      -1.644900      0.5081000    
 C   -2.302200      0.6919000      0.8055000    
 C    1.694600      0.8882000       1.396600    
 C    2.157700      -1.192000      0.1586000    
 H   -1.962600      -1.889400       1.502800    
 H  -0.7126000      -2.288500      0.3278000    
 H   -2.347300      -1.857600     -0.2392000    
 H   -1.916300       1.683200       1.059500    
 H   -2.836600      0.3185000       1.684500    
 H   -3.003700      0.7711000     -2.9700000E-02
 H    1.245500       1.882500       1.321200    
 H    2.766800       1.025800       1.566700    
 H    1.258800      0.3603000       2.249600    
 H    2.145000      -1.644500     -0.8362000    
 H    1.677800      -1.865200      0.8739000    
 H    3.207800      -1.065800      0.4405000    


%chk=000138047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000138047

0 1
S 0.032892 0.232878 -0.701084
O 0.101403 -0.835299 -1.922079
O -0.309649 1.803176 -0.937228
N -1.171122 -0.467747 0.684240
N 1.722956 0.195281 0.105013
C -1.788398 -1.733242 0.207437
C -2.166169 0.575837 1.045568
C 1.772877 1.113316 1.268222
C 2.144224 -1.198727 0.384009
H -2.212918 -2.237101 1.096513
H -1.021312 -2.388008 -0.234777
H -2.594699 -1.584595 -0.541031
H -1.664925 1.546493 1.184520
H -2.617041 0.269212 2.008485
H -2.973868 0.703926 0.294714
H 1.355604 2.090138 0.974263
H 2.839496 1.257101 1.518344
H 1.239929 0.723440 2.161743
H 1.970000 -1.813947 -0.513685
H 1.631404 -1.648470 1.261161
H 3.231915 -1.173262 0.576953


