%chk=000080658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080658

0 1
 S  -0.3588000      -1.499600      0.1383000    
 O  -0.2635000      -2.310100       1.332900    
 O  -0.7295000      -2.029900      -1.155800    
 O  -0.8378000       2.279300      0.6617000    
 O   -3.168700       1.216500      -1.195600    
 N   -1.235600     -5.4200001E-02  0.4656000    
 C    1.128000     -0.6092000     -3.9600000E-02
 C   0.9458000      0.7604000      0.1507000    
 C   -2.679000     -0.1252000      0.7329000    
 C  -0.4464000       1.144800      0.4559000    
 C    2.355800      -1.165300     -0.3333000    
 C    2.018300       1.629300      4.8200000E-02
 C   -3.444100     -3.2699998E-02 -0.5746000    
 C    3.441100     -0.2943000     -0.4380000    
 C    3.274500       1.090200     -0.2491000    
 H   -2.954700      0.6997000       1.399300    
 H   -2.919600      -1.057700       1.253700    
 H    2.482100      -2.231800     -0.4785000    
 H    1.901400       2.698000      0.1918000    
 H   -4.520400     -8.4100001E-02 -0.3850000    
 H   -3.182700     -0.8354000      -1.270500    
 H    4.427800     -0.6876000     -0.6681000    
 H    4.134900       1.748600     -0.3359000    
 H   -2.241400       1.198900      -1.486500    


%chk=000080658-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080658

0 1
S -0.501165 -1.278201 -0.320889
O -0.673585 -2.554457 0.660359
O -1.005971 -1.429764 -1.866784
O -0.573302 2.410709 1.179517
O -3.415346 0.082307 -1.686010
N -1.244880 0.297820 0.413967
C 1.197009 -0.475160 -0.223523
C 1.083279 0.820882 0.304713
C -2.689410 0.407874 0.690544
C -0.294089 1.284751 0.682621
C 2.396776 -1.070302 -0.619988
C 2.254960 1.590815 0.451016
C -3.573896 -0.369103 -0.313995
C 3.567280 -0.282902 -0.466016
C 3.493629 1.030032 0.062006
H -2.918640 1.487594 0.631845
H -2.904403 0.058555 1.719974
H 2.440844 -2.084535 -1.026724
H 2.175137 2.602477 0.861352
H -4.624429 -0.171979 -0.039347
H -3.400009 -1.462786 -0.214092
H 4.535754 -0.699707 -0.759843
H 4.410312 1.618154 0.170340
H -2.608355 -0.364475 -2.070546


