%chk=000006628.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006628

0 1
 S    1.206000     -0.8773000     -0.3840000    
 O    1.513700     -0.8563000      -1.808700    
 O    1.418900      -2.102800      0.3771000    
 O    3.895400       1.566500     -0.1882000    
 N    2.057800      0.4120000      0.4073000    
 N    3.500400      0.4310000      9.8300003E-02
 C  -0.4625000     -0.3904000     -0.2197000    
 C   -1.364200      -1.210300      0.4588000    
 C  -0.8942000      0.8180000     -0.7668000    
 C   -3.129100      0.3861000      4.3099999E-02
 C   -2.697500     -0.8222000      0.5901000    
 C   -2.227500       1.206200     -0.6354000    
 C    1.737300      0.6378000       1.844300    
 C   -4.554600      0.8017000      0.1838000    
 H   -1.055400      -2.156600      0.8931000    
 H  -0.2035000       1.467400      -1.298200    
 H   -3.390200      -1.468800       1.122300    
 H   -2.551500       2.150800      -1.064300    
 H   0.6704000      0.8294000       1.980200    
 H    2.272300       1.520700       2.210000    
 H    2.036400     -0.2257000       2.445900    
 H   -4.875900       1.406800     -0.6707000    
 H   -5.217700     -6.8999998E-02  0.2267000    
 H   -4.686100       1.388300       1.098500    


%chk=000006628-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006628

0 1
S 1.081606 -0.991994 -0.247628
O 1.648125 -0.935525 -1.760430
O 1.214934 -2.329165 0.665878
O 2.530768 2.481130 1.054178
N 2.036085 0.331172 0.816400
N 1.832660 1.623993 0.389315
C -0.682208 -0.355255 -0.195524
C -1.546474 -0.898803 0.766938
C -1.062019 0.607858 -1.143361
C -3.324046 0.544292 -0.155112
C -2.880407 -0.435406 0.772901
C -2.401631 1.049477 -1.111328
C 2.966789 -0.110305 1.868014
C -4.750830 1.056867 -0.116018
H -1.197529 -1.665960 1.465376
H -0.347612 0.987580 -1.879299
H -3.584280 -0.844758 1.506025
H -2.732547 1.799607 -1.838088
H 2.858069 -1.204232 1.964548
H 2.709702 0.380168 2.823249
H 4.005341 0.151171 1.598566
H -5.109979 1.334929 -1.121804
H -5.442661 0.305601 0.301551
H -4.823156 1.960859 0.519154


