%chk=000128876.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128876

0 1
 S  -0.6621000      -1.262400      0.7575000    
 S   0.2872000     -0.8818000      -1.024500    
 O   -3.595300     -0.7320000      -1.427300    
 O   -4.285400     -0.5502000      0.7259000    
 N   -3.000400       2.072000      0.3534000    
 N    2.613300      -1.204500      0.2604000    
 C   -2.396700      0.7820000      1.3600000E-02
 C   -1.422400      0.3541000       1.112800    
 C   -3.524800     -0.2150000     -0.1746000    
 C    1.892200     -0.3295000     -0.4760000    
 C    2.327700      0.9416000     -0.8154000    
 C    3.583400       1.340100     -0.3705000    
 C    4.354600      0.4676000      0.3895000    
 C    3.828800     -0.7821000      0.6752000    
 H   -1.880300      0.9203000     -0.9414000    
 H  -0.6287000       1.096800       1.252800    
 H   -1.943200      0.2560000       2.072500    
 H   -3.571800       2.398500     -0.4253000    
 H   -2.267900       2.769700      0.4794000    
 H    1.722700       1.620400      -1.407700    
 H    3.960300       2.328600     -0.6151000    
 H    5.336100      0.7569000      0.7471000    
 H    4.390200      -1.499400       1.264600    
 H   -4.322800      -1.384300      -1.513600    


%chk=000128876-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128876

0 1
S -0.595255 -1.536711 -0.577834
S 0.570603 -0.043427 -1.838175
O -4.812222 0.441412 -0.637171
O -3.920395 -1.576699 0.085111
N -2.854515 1.582334 1.012301
N 1.920536 0.435989 0.531567
C -2.513436 0.486412 0.077289
C -1.382487 -0.360932 0.676938
C -3.771919 -0.359593 -0.135774
C 2.069793 0.273501 -0.808094
C 3.315168 0.391827 -1.475095
C 4.454576 0.712353 -0.704663
C 4.318170 0.874402 0.694223
C 3.035806 0.715335 1.266520
H -2.192426 0.844444 -0.931682
H -0.562429 0.262128 1.065284
H -1.759283 -1.020651 1.477178
H -3.709305 2.086726 0.756430
H -2.065015 2.206652 1.203542
H 3.384915 0.219931 -2.552941
H 5.432301 0.813136 -1.187252
H 5.178273 1.110420 1.327677
H 2.882040 0.819141 2.346374
H -5.628794 -0.114730 -0.758450


