%chk=000018752.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018752

0 1
 S   0.6535000       1.630100      0.1589000    
 O   0.4476000       2.832300     -0.6255000    
 O    1.012600       1.719600       1.561100    
 O    3.329700      -1.066300     -0.9325000    
 O    2.322100     -0.8237000       1.117100    
 N    1.767800      0.6135000     -0.6441000    
 N   -4.299100      -1.646500     -0.1471000    
 C  -0.8187000      0.6562000      6.8099998E-02
 C   -1.662800      0.8069000      -1.018700    
 C   -1.100800     -0.2393000       1.085400    
 C   -3.124800     -0.8686000     -7.4299999E-02
 C   -2.824800      3.8600001E-02  -1.090400    
 C   -2.262800      -1.007500       1.013600    
 C    2.474000     -0.4751000     -4.7400001E-02
 C    4.086500      -2.170200     -0.4240000    
 H   -1.442200       1.502600      -1.822400    
 H  -0.4417000     -0.3666000       1.938400    
 H   -3.487700      0.1547000      -1.944000    
 H   -2.485000      -1.712100       1.810900    
 H    1.992100      0.8440000      -1.620500    
 H   -4.925400      -1.545100     -0.9347000    
 H   -4.517800      -2.303200      0.5903000    
 H    3.415900      -2.973300     -0.1038000    
 H    4.722900      -1.843500      0.4039000    
 H    4.723500      -2.545100      -1.229400    


%chk=000018752-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018752

0 1
S 0.641511 1.683161 0.085697
O 0.511333 2.878199 -1.007183
O 1.067934 1.975922 1.616490
O 3.612275 -0.916867 -0.830910
O 1.917171 -1.162042 0.790428
N 1.968304 0.643831 -0.718970
N -4.385072 -1.659581 -0.048619
C -0.878001 0.618910 0.036646
C -1.767926 0.801140 -1.038573
C -1.108213 -0.292083 1.084691
C -3.221242 -0.904160 -0.021994
C -2.944193 0.035150 -1.063922
C -2.287431 -1.052166 1.050973
C 2.445271 -0.525845 -0.154228
C 4.192257 -2.199293 -0.368509
H -1.548990 1.537448 -1.818444
H -0.380034 -0.404101 1.892274
H -3.656792 0.162621 -1.886585
H -2.489690 -1.770705 1.853058
H 2.498872 1.142993 -1.441068
H -5.058027 -1.558311 -0.803241
H -4.592131 -2.325969 0.690130
H 3.476729 -3.023848 -0.526677
H 4.448456 -2.138782 0.702319
H 5.092227 -2.333220 -0.984884


