%chk=000005448.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005448

0 1
 S  -0.1327000      -1.660500     -1.7700000E-02
 O    2.605200      0.9374000      0.1445000    
 N    1.445800      -1.085800      0.1732000    
 N   -2.894000      0.4566000      0.6926000    
 C  -0.7062000     -4.1499998E-02 -0.2799000    
 C   -2.149500      0.2202000     -0.5377000    
 C   0.2541000      0.8905000     -0.2249000    
 C    1.577300      0.2831000      4.9899999E-02
 H   -2.606400     -0.6047000      -1.096900    
 H   -2.250300       1.108500      -1.173300    
 H   0.1215000       1.953100     -0.3578000    
 H    2.224500      -1.707100      0.3627000    
 H   -2.943700     -0.4077000       1.231500    
 H   -3.857900      0.6954000      0.4616000    


%chk=000005448-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005448

0 1
S 0.108568 -1.737090 -0.828643
O 2.538599 0.971169 0.671990
N 1.643235 -0.968488 -0.301846
N -2.847315 0.887747 0.376809
C -0.752724 -0.212480 -0.286142
C -2.256325 -0.146566 -0.469543
C 0.105735 0.710234 0.239650
C 1.533404 0.322513 0.254632
H -2.678393 -1.169613 -0.311383
H -2.469839 0.109406 -1.526074
H -0.227657 1.675736 0.617890
H 2.534058 -1.456498 -0.404754
H -2.865393 0.697887 1.379097
H -3.678253 1.353543 0.016116


