%chk=000178963.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178963

0 1
 S   0.3957000      0.8352000      0.7553000    
 O   3.8300000E-02   2.246300      0.4017000    
 O    3.260500      -1.414100     -0.3401000    
 O   -1.117000      -2.598200      0.1215000    
 N    1.838300      0.3402000      9.1200002E-02
 N  -0.7088000     -0.3183000      0.2760000    
 N    1.085800      -1.917500      0.2784000    
 C    2.844800       1.339200     -0.2553000    
 C    4.125900      0.6145000     -0.6818000    
 C    2.310800       2.188600      -1.413700    
 C    3.122300       2.226200      0.9642000    
 C    2.139400      -1.015200     -3.0000001E-04
 C  -0.3104000      -1.663800      0.2171000    
 C   -2.085800      5.2200001E-02  6.8000004E-02
 C    1.469100      -3.324700      0.3842000    
 C   -2.893500     -0.7186000     -0.7651000    
 C   -2.604100       1.180100      0.7005000    
 C   -4.226300     -0.3597000     -0.9666000    
 C   -3.936900       1.538800      0.4992000    
 C   -4.748000      0.7688000     -0.3343000    
 H    4.041500      5.6600001E-02  -1.623300    
 H    4.862000       1.391200     -0.9465000    
 H    4.642700      8.8299997E-02  0.1311000    
 H    1.561600       2.927500      -1.124200    
 H    1.880600       1.562200      -2.204100    
 H    3.125800       2.766500      -1.867200    
 H    3.376300       1.622100       1.843500    
 H    3.973400       2.889400      0.7678000    
 H    2.288300       2.877900       1.239500    
 H   0.7663000      -3.868800       1.022300    
 H    2.475100      -3.424800      0.8024000    
 H    1.452500      -3.761900     -0.6192000    
 H   -2.521300      -1.563800      -1.334400    
 H   -2.049200       1.778900       1.414200    
 H   -4.854500     -0.9500000      -1.627400    
 H   -4.348300       2.408700       1.003000    
 H   -5.785800       1.048100     -0.4912000    


%chk=000178963-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178963

0 1
S 0.619322 0.401129 1.760575
O 0.079238 1.927682 1.728430
O 3.310038 -1.705616 -0.093886
O -0.943432 -2.869607 0.055806
N 1.914684 0.141346 0.396858
N -0.741697 -0.657048 0.803720
N 1.165449 -2.090413 0.798183
C 2.505927 1.303180 -0.373739
C 3.544935 0.792159 -1.407306
C 1.356387 2.016450 -1.141758
C 3.199136 2.269515 0.623231
C 2.219426 -1.219537 0.311894
C -0.241440 -1.916719 0.490982
C -1.857605 -0.015980 0.206013
C 1.575454 -3.507036 0.996419
C -2.105492 -0.145319 -1.189339
C -2.707840 0.791766 1.006219
C -3.212992 0.506286 -1.764234
C -3.796620 1.464101 0.412044
C -4.056783 1.320840 -0.969863
H 3.097467 0.075911 -2.116745
H 3.892031 1.674072 -1.976455
H 4.406181 0.305246 -0.927828
H 0.594062 2.421797 -0.457726
H 0.871277 1.316082 -1.844795
H 1.780113 2.853720 -1.724996
H 3.995284 1.744129 1.179550
H 3.660348 3.102723 0.063634
H 2.479860 2.702455 1.339596
H 0.832756 -3.999103 1.641888
H 2.568107 -3.520432 1.469454
H 1.630482 -4.047217 0.036457
H -1.456255 -0.782326 -1.798228
H -2.517149 0.883639 2.079254
H -3.416819 0.384164 -2.833552
H -4.446477 2.091207 1.031468
H -4.910266 1.834854 -1.424822


