%chk=000087817.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087817

0 1
 S   -2.728000      0.1890000     -0.5001000    
 O    2.056700       1.576600      0.2573000    
 N  -0.1611000      0.9316000     -9.4999999E-02
 N   0.7209000      -1.664600     -0.1672000    
 N  -0.6324000      -1.369300     -0.3296000    
 N  -0.6766000       2.225300     -6.9700003E-02
 C    1.574000     -0.7105000      1.9800000E-02
 C    1.187100      0.7386000      7.4699998E-02
 C   -1.013200     -0.1344000     -0.2901000    
 C    3.030900      -1.035700      0.1935000    
 C   -3.358200     -0.7467000      0.9064000    
 H    3.611800     -0.5493000     -0.5948000    
 H    3.191300      -2.115900      0.1349000    
 H    3.372000     -0.6806000       1.169800    
 H  -0.4174000       2.636400      0.8263000    
 H  -0.1857000       2.760600     -0.7850000    
 H   -3.171900      -1.816000      0.7756000    
 H   -4.437300     -0.5922000      0.9889000    
 H   -2.887000     -0.4085000       1.833400    


%chk=000087817-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087817

0 1
S -2.745545 0.630690 0.349294
O 2.180940 1.686090 -0.259571
N -0.068360 1.085180 0.039138
N 0.663500 -1.576869 0.427302
N -0.694154 -1.193938 0.479667
N -0.516543 2.424955 -0.148124
C 1.614538 -0.658371 0.188614
C 1.333059 0.776861 -0.031196
C -1.016119 0.092832 0.289108
C 3.049141 -1.105956 0.141262
C -3.536945 -1.048160 0.702923
H 3.501042 -0.867261 -0.838846
H 3.103581 -2.190362 0.320529
H 3.650327 -0.572555 0.900237
H -0.111870 3.033797 0.577963
H -0.254795 2.753105 -1.089133
H -3.305509 -1.746176 -0.112490
H -4.617290 -0.842748 0.761165
H -3.153097 -1.446713 1.651259


