%chk=000081799.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081799

0 1
 S  -0.9852000     -0.3035000      0.9240000    
 O    2.135500      -3.196800     -7.1500003E-02
 O   8.2000002E-02  -2.645200      0.4743000    
 O    5.071300       2.229200     -0.3471000    
 O    5.530000      0.1012000     -0.6310000    
 N    1.267500      -2.338500      0.2098000    
 N    4.723700       1.023700     -0.3600000    
 C   0.7258000      4.4100001E-02  0.5352000    
 C   -1.844200      0.6205000     -0.3861000    
 C   -3.327700      0.4975000     -0.2936000    
 C    1.641900     -0.9645000      0.2301000    
 C    1.138700       1.377800      0.5430000    
 C    2.965900     -0.6402000     -6.6299997E-02
 C    3.376000      0.6930000     -5.8100000E-02
 C    2.462600       1.701900      0.2465000    
 C   -4.057800       1.415500      0.4615000    
 C   -3.985200     -0.5351000     -0.9623000    
 C   -5.445300       1.300700      0.5480000    
 C   -5.372700     -0.6497000     -0.8759000    
 C   -6.102600      0.2683000     -0.1206000    
 H   -1.497800      0.2562000      -1.360800    
 H   -1.566200       1.679300     -0.3396000    
 H   0.4523000       2.184200      0.7897000    
 H    3.684200      -1.421200     -0.3048000    
 H    2.747300       2.750900      0.2652000    
 H   -3.558000       2.224100      0.9883000    
 H   -3.428400      -1.257800      -1.553100    
 H   -6.013700       2.015200       1.136300    
 H   -5.884800      -1.453900      -1.396100    
 H   -7.182900      0.1789000     -5.3199999E-02


%chk=000081799-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081799

0 1
S -1.038692 -0.625756 0.250568
O 2.525506 -3.185145 1.167217
O 0.282972 -2.793393 1.023445
O 5.111447 2.195536 -0.717898
O 5.766537 0.129769 0.007073
N 1.519355 -2.424841 0.896588
N 4.862278 0.997867 -0.299247
C 0.706033 -0.151205 0.092052
C -1.948777 0.984579 -0.330978
C -3.430688 0.714071 -0.246656
C 1.776004 -1.051912 0.413407
C 1.087321 1.147696 -0.363364
C 3.131348 -0.685839 0.288609
C 3.444031 0.602492 -0.164081
C 2.427367 1.529325 -0.492895
C -4.148961 1.005886 0.941866
C -4.123840 0.151759 -1.350001
C -5.535155 0.748874 1.023040
C -5.509903 -0.105735 -1.269896
C -6.219035 0.192772 -0.083056
H -1.625344 1.190963 -1.364134
H -1.640744 1.800325 0.342911
H 0.321432 1.880244 -0.622604
H 3.914291 -1.404721 0.543988
H 2.704568 2.527397 -0.842198
H -3.621514 1.433759 1.802984
H -3.576616 -0.085195 -2.270424
H -6.079797 0.980873 1.944634
H -6.034904 -0.537758 -2.128685
H -7.294323 -0.006888 -0.020463


