%chk=000088788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088788

0 1
 S   -3.455400     -0.2743000      0.1370000    
 O    1.002200       2.067900     -5.5599999E-02
 N   -1.063700      0.9801000      3.3000000E-02
 N   0.2947000      -1.310700      0.6890000    
 N   -1.095500      -1.316400      0.5775000    
 N   -1.815500       2.105300     -0.2964000    
 C    2.454400     -0.2197000      0.6042000    
 C    3.099900     -0.5489000     -0.7328000    
 C   0.9565000     -0.2186000      0.4829000    
 C   0.3022000       1.082400      0.1200000    
 C    4.618300     -0.6224000     -0.6528000    
 C   -1.703400     -0.2186000      0.2664000    
 C   -3.594800      -1.506000      -1.172500    
 H    2.737200     -0.9749000       1.347900    
 H    2.807100      0.7441000      0.9858000    
 H    2.818100      0.2056000      -1.477300    
 H    2.716800      -1.507100      -1.105400    
 H    4.935200      -1.398900      5.0600000E-02
 H    5.038200      0.3332000     -0.3229000    
 H    5.039400     -0.8593000      -1.634800    
 H   -1.593100       2.828400      0.3868000    
 H   -1.474500       2.443900      -1.195400    
 H   -3.029500      -1.192700      -2.054600    
 H   -4.645300      -1.616500      -1.454400    
 H   -3.224800      -2.477000     -0.8324000    


%chk=000088788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088788

0 1
S -3.492027 0.075088 -0.694983
O 1.087766 2.094286 0.125846
N -0.983036 1.052192 -0.227299
N 0.179984 -1.456066 0.117574
N -1.196394 -1.341075 -0.169053
N -1.647330 2.299944 -0.406956
C 2.417483 -0.532334 0.495709
C 3.303025 -0.284404 -0.760105
C 0.947393 -0.356452 0.210032
C 0.427924 1.018787 0.042935
C 4.802987 -0.456857 -0.443073
C -1.729272 -0.121794 -0.330517
C -3.968352 -1.752308 -0.717460
H 2.574661 -1.560795 0.865992
H 2.724811 0.179573 1.285865
H 3.116141 0.738138 -1.137992
H 3.001612 -0.992275 -1.556183
H 5.018951 -1.476286 -0.071912
H 5.129010 0.262161 0.331677
H 5.420882 -0.286787 -1.343450
H -1.577235 2.860672 0.454585
H -1.233998 2.803551 -1.205207
H -3.400208 -2.274363 -1.498791
H -5.048212 -1.759559 -0.933084
H -3.751867 -2.204137 0.259648


