%chk=000053042.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053042

0 1
 O   -3.677500     -0.7922000      5.0600000E-02
 N   -1.936600      0.7692000      5.5500001E-02
 C   0.2390000      0.6032000       1.252800    
 C  -0.2014000     -0.7706000     -0.8186000    
 C    1.527600       1.069900     -0.8688000    
 C    1.974200      -1.039900      0.4356000    
 C  -0.8490000     -0.1068000      0.4169000    
 C   0.8867000       1.698000      0.3824000    
 C    1.329700     -0.4005000       1.677100    
 C   0.4482000      0.3300000      -1.680000    
 C   0.8920000      -1.765800     -0.3814000    
 C    2.605500      6.3699998E-02 -0.4306000    
 C   -3.238400      0.3418000     -9.1499999E-02
 H  -0.2072000       1.062400       2.142800    
 H  -0.9596000      -1.295800      -1.411400    
 H    1.983100       1.853100      -1.484900    
 H    2.745600      -1.753900      0.7452000    
 H   -1.281100     -0.9048000       1.036300    
 H    1.657700       2.218300      0.9654000    
 H   0.1623000       2.466000      9.1899998E-02
 H   0.8907000      -1.178700       2.313200    
 H    2.094200      0.1082000       2.277100    
 H  -0.3056000       1.040300      -2.039600    
 H   0.9002000     -0.1190000      -2.573500    
 H    1.341700      -2.239400      -1.262700    
 H   0.4453000      -2.567900      0.2188000    
 H    3.084800     -0.3798000      -1.311900    
 H    3.392400      0.5791000      0.1338000    
 H   -1.742200       1.744200     -0.1477000    
 H   -3.891300       1.182800     -0.3779000    


%chk=000053042-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053042

0 1
O -3.666990 -0.859986 0.334726
N -1.995124 0.756104 0.036457
C 0.218125 0.635831 1.209956
C -0.175904 -0.741975 -0.890501
C 1.596477 1.079166 -0.881103
C 1.960527 -1.054358 0.449533
C -0.853059 -0.119794 0.370721
C 0.918887 1.730761 0.355753
C 1.280100 -0.396627 1.681040
C 0.515579 0.360739 -1.736088
C 0.885149 -1.771270 -0.411862
C 2.652830 0.044171 -0.403127
C -3.303104 0.317308 0.052917
H -0.273267 1.095060 2.090225
H -0.953671 -1.252618 -1.489212
H 2.091558 1.862935 -1.487827
H 2.714268 -1.790295 0.791861
H -1.279088 -0.943418 0.974890
H 1.674874 2.251441 0.976293
H 0.199187 2.511411 0.028490
H 0.801397 -1.172326 2.311196
H 2.040133 0.110462 2.308573
H -0.232311 1.091848 -2.104934
H 0.981530 -0.095890 -2.631650
H 1.359823 -2.253385 -1.289570
H 0.396389 -2.574001 0.175584
H 3.154925 -0.414044 -1.278661
H 3.437016 0.551658 0.194357
H -1.810187 1.729173 -0.216546
H -4.025069 1.127018 -0.206592


