%chk=000022855.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022855

0 1
 S   -1.306600      0.7538000     -0.4744000    
 O    1.269300      -1.765600     -0.4331000    
 O    3.174300      -1.261500      0.6873000    
 N    3.311900       1.113900     -0.7053000    
 N   -5.078500     -0.5989000      0.1281000    
 C    1.229500       1.328700      0.5627000    
 C    1.991300      0.5133000     -0.4919000    
 C  -0.1579000      0.7964000      0.9330000    
 C   -2.749900      8.9599997E-02  0.3868000    
 C    2.235500     -0.9073000     -1.4800000E-02
 C   -3.919000     -6.2399998E-02 -0.5784000    
 H    1.818500       1.366000       1.490000    
 H    1.133400       2.368700      0.2219000    
 H    1.474500      0.4886000      -1.456100    
 H  -0.5868000       1.449100       1.701400    
 H  -7.8199998E-02 -0.2069000       1.363100    
 H   -2.486800     -0.8823000      0.8191000    
 H   -3.019800      0.7683000       1.203400    
 H   -4.192000      0.9064000      -1.011400    
 H   -3.660200     -0.7397000      -1.400400    
 H    3.807100       1.189000      0.1831000    
 H    3.198600       2.070100      -1.040900    
 H   -4.853500      -1.516800      0.5098000    
 H   -5.839600     -0.7438000     -0.5339000    
 H    1.426200      -2.678300     -0.1098000    


%chk=000022855-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022855

0 1
S -1.571844 1.790328 0.592471
O 0.528055 -1.691225 0.497988
O 2.827396 -1.477916 0.289582
N 2.432682 0.698037 -1.414885
N -4.167703 -1.187413 -0.691089
C 1.264725 1.423672 0.737838
C 1.379359 0.388367 -0.439546
C -0.015824 1.326265 1.588324
C -2.489002 0.121158 0.544596
C 1.686816 -0.992945 0.124415
C -3.450678 0.100754 -0.659105
H 2.157907 1.330034 1.390265
H 1.310649 2.427787 0.273344
H 0.396261 0.358682 -0.944013
H 0.030724 2.030552 2.435549
H -0.175158 0.310519 1.986250
H -1.725539 -0.670305 0.453462
H -3.053401 -0.011401 1.481038
H -4.198358 0.907652 -0.543350
H -2.872641 0.325937 -1.585455
H 3.373904 0.422877 -1.120061
H 2.373805 1.631676 -1.825853
H -3.602042 -1.986842 -0.987229
H -5.089026 -1.167331 -1.132874
H 0.790234 -2.570520 0.887638


