%chk=000157991.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157991

0 1
 S   -2.121200      0.7897000     -0.9461000    
 O   0.8379000      -2.033100       1.741100    
 O    1.827800      -2.073400     -0.2979000    
 O    2.043900       1.570500       1.149900    
 O   -2.772100       2.278100      0.8515000    
 N   0.9748000      0.5009000     -0.6198000    
 N   -2.177600       1.204600      0.7118000    
 C   -1.197700     -0.7585000     -0.5378000    
 C   0.1337000     -0.3786000      0.1601000    
 C  -0.9370000      -1.471700      -1.874200    
 C   -2.119600      -1.629500      0.3294000    
 C    1.018800      -1.574900      0.4749000    
 C    1.859500       1.401600     -5.2600000E-02
 C    2.628700       2.174500      -1.090200    
 H  -3.6100000E-02  0.1093000       1.127800    
 H  -0.4041000      -2.417200      -1.724400    
 H  -0.3523000     -0.8723000      -2.579500    
 H   -1.878900      -1.728900      -2.375800    
 H   -3.112600      -1.756300     -0.1186000    
 H   -1.696900      -2.636600      0.4341000    
 H   -2.244600      -1.251000       1.349300    
 H   0.9707000      0.4077000      -1.630600    
 H    3.139600       3.017800     -0.6173000    
 H    3.369700       1.519600      -1.556700    
 H    1.950500       2.561800      -1.856100    
 H    1.419400      -2.797800       1.939400    


%chk=000157991-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157991

0 1
S -1.888214 0.952683 -0.870070
O 0.646999 -2.474254 1.606061
O 1.823506 -2.411292 -0.392272
O 0.950321 2.141202 0.773182
O -2.171145 2.599050 1.393276
N 1.185632 0.292884 -0.621069
N -1.745002 1.492603 1.095417
C -1.119946 -0.785495 -0.539934
C 0.281990 -0.556659 0.157609
C -0.981573 -1.438000 -1.931978
C -2.080261 -1.581112 0.367732
C 1.001693 -1.886982 0.395118
C 1.485551 1.593221 -0.239584
C 2.475487 2.327028 -1.133801
H 0.101607 -0.056867 1.124890
H -0.548377 -2.452108 -1.844624
H -0.338426 -0.842579 -2.603225
H -1.973170 -1.531306 -2.407560
H -3.078392 -1.632465 -0.099944
H -1.714228 -2.612486 0.522604
H -2.183593 -1.102642 1.356158
H 1.704500 -0.151101 -1.382139
H 1.937742 3.111890 -1.694829
H 3.226500 2.829732 -0.502696
H 2.988698 1.666852 -1.853873
H 1.136401 -3.335496 1.717250


