%chk=000051932.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051932

0 1
 S    1.657500     -5.0900001E-02 -0.7724000    
 O    1.971100      -1.349600      -1.362600    
 O    1.981500       1.180000      -1.490300    
 O    4.495600      9.1399997E-02   1.953700    
 O    4.591900      3.2699998E-02 -0.3184000    
 N  -0.8108000       1.090300     -0.3220000    
 N  -0.7643000      -1.129200     -0.2165000    
 C  -5.2700002E-02 -4.3200001E-02 -0.4193000    
 C   -2.097300      0.7104000     -3.7400000E-02
 C   -2.042300     -0.6792000      2.3399999E-02
 C    2.445300      3.4000002E-02  0.8265000    
 C   -3.268600       1.440800      0.1659000    
 C   -3.216000      -1.399400      0.3024000    
 C   -4.427500      0.7079000      0.4423000    
 C   -4.403900     -0.6870000      0.5099000    
 C    3.940500      5.0999999E-02  0.7148000    
 H  -0.4822000       2.039700     -0.4386000    
 H    2.130800     -0.8469000       1.392700    
 H    2.107200      0.9545000       1.310200    
 H   -3.284400       2.523500      0.1129000    
 H   -3.208100      -2.483300      0.3570000    
 H   -5.364000       1.234800      0.6077000    
 H   -5.320900      -1.229000      0.7268000    
 H    5.475700      0.1038000       1.914900    


%chk=000051932-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051932

0 1
S 1.777587 0.559868 -0.708636
O 2.376900 -0.602919 -1.668309
O 1.750183 2.127071 -1.197042
O 3.913910 -1.547528 1.068320
O 5.051634 0.467282 0.762428
N -0.961754 1.178997 -0.730857
N -0.511024 -0.763298 0.404680
C -0.023622 0.264492 -0.275075
C -2.207553 0.695972 -0.298295
C -1.909786 -0.523873 0.413615
C 2.619608 0.441403 1.100850
C -3.524117 1.180774 -0.444575
C -2.951547 -1.282189 0.994801
C -4.546356 0.407866 0.142205
C -4.266779 -0.801531 0.848486
C 3.989999 -0.160217 0.960549
H -0.725920 2.035690 -1.237738
H 1.920753 -0.194329 1.662512
H 2.640466 1.493649 1.412672
H -3.750178 2.104829 -0.985106
H -2.729988 -2.208808 1.531655
H -5.585272 0.742813 0.053086
H -5.098305 -1.365753 1.283169
H 4.805262 -1.953161 0.890205


