%chk=000078454.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078454

0 1
 S   0.1614000      0.3210000     -0.5568000    
 S    4.675100     -0.1394000      0.1306000    
 O    3.056600     -0.2563000      0.3252000    
 O   0.7640000     -0.8276000      -1.218000    
 O   0.2572000       1.639500      -1.168200    
 O   -4.681400       1.717600      0.2254000    
 O    5.037000      -1.404600     -0.8336000    
 O    4.938100       1.072800     -0.6223000    
 O    5.320500     -0.3560000       1.412000    
 N   -5.565100     -0.9459000      0.4330000    
 C   0.8715000      0.4508000       1.068700    
 C   -1.520800     -4.6999998E-02 -0.2666000    
 C    2.352200      0.7719000       1.009700    
 C   -2.447500      0.9868000     -0.1330000    
 C   -1.937700      -1.374400     -0.1679000    
 C   -3.791200      0.6932000      9.9500000E-02
 C   -3.281400      -1.668100      6.4400002E-02
 C   -4.208200     -0.6343000      0.1980000    
 H   0.3306000       1.231300       1.611400    
 H   0.7115000     -0.5153000       1.558700    
 H    2.516300       1.723300      0.4923000    
 H    2.750000      0.8585000       2.026500    
 H   -2.128900       2.023700     -0.2023000    
 H   -1.232100      -2.195200     -0.2615000    
 H   -3.592900      -2.706700      0.1408000    
 H   -5.859800      -1.910700      0.5025000    
 H   -6.242400     -0.2010000      0.5302000    
 H   -4.210600       2.563000      0.1277000    
 H    4.640200      -2.266300     -0.5648000    


%chk=000078454-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078454

0 1
S 0.407973 0.370258 -0.238783
S 4.484851 -0.319285 -0.222051
O 3.394153 -0.433728 1.350654
O 1.111755 -0.925252 -1.019160
O 0.537186 1.886212 -0.831104
O -4.722059 1.596100 -0.260341
O 3.574825 -1.369255 -1.270430
O 4.419832 1.225005 -0.690123
O 5.864971 -1.029243 0.141249
N -5.477460 -0.938637 0.077486
C 1.106667 0.415747 1.587335
C -1.389459 -0.079227 -0.105147
C 2.591385 0.763222 1.619410
C -2.315667 0.980115 -0.219036
C -1.763732 -1.425159 0.038428
C -3.677274 0.658769 -0.156775
C -3.139142 -1.724531 0.106874
C -4.119770 -0.696638 0.018318
H 0.473950 1.187753 2.056672
H 0.891511 -0.589185 1.982507
H 2.844507 1.586558 0.916042
H 2.847808 1.105103 2.641852
H -1.961345 2.004959 -0.386162
H -1.010775 -2.218409 0.057516
H -3.461750 -2.765248 0.217584
H -5.842015 -1.881081 0.179738
H -6.123178 -0.157343 -0.015159
H -4.386805 2.509100 -0.432407
H 2.521258 -1.132079 -1.183387


