%chk=000082500.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082500

0 1
 O   0.1597000      -1.895300      -1.041400    
 N   -1.257500     -0.7451000      0.3929000    
 C   -2.441000     -0.8215000     -0.4344000    
 C   -3.708800     -0.8950000      0.4233000    
 C   -2.502800      0.3524000      -1.417600    
 C   -4.027300      0.4324000       1.111200    
 C   -2.823200       1.677700     -0.7265000    
 C   -4.094500       1.582900      0.1115000    
 C  -4.2700000E-02  -1.296700      1.1800000E-02
 C    1.026300      -1.066000       1.062500    
 C    2.203800     -0.2780000      0.5529000    
 C    3.282700     -0.9473000     -7.7000000E-03
 C    2.193400       1.106400      0.6506000    
 C    4.373400     -0.2174000     -0.4800000    
 C    3.284200       1.836200      0.1782000    
 C    4.374200       1.174200     -0.3872000    
 H   -2.371000      -1.748700      -1.016900    
 H   -3.611100      -1.682300       1.180500    
 H   -4.556300      -1.172400     -0.2165000    
 H   -3.280100      0.1493000      -2.165300    
 H   -1.556600      0.4481000      -1.963600    
 H   -3.271600      0.6526000       1.874200    
 H   -4.986000      0.3491000       1.636100    
 H   -2.938500       2.465100      -1.480000    
 H   -1.983400       1.973300     -8.5900001E-02
 H   -4.957100       1.439400     -0.5510000    
 H   -4.256100       2.526300      0.6449000    
 H   -1.311400     -0.2099000       1.253800    
 H    1.356900      -2.053200       1.410800    
 H   0.6160000     -0.5730000       1.952400    
 H    3.291400      -2.030700     -8.6700000E-02
 H    1.348000       1.630900       1.086900    
 H    5.221900     -0.7327000     -0.9208000    
 H    3.284700       2.920000      0.2497000    
 H    5.223300       1.742600     -0.7553000    


%chk=000082500-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000082500

0 1
O -0.054634 -2.574935 -0.625307
N -1.211014 -0.997514 0.632477
C -2.448639 -1.071454 -0.181162
C -3.658705 -0.589094 0.654770
C -2.316993 -0.248102 -1.493519
C -3.635775 0.939425 0.914117
C -2.282906 1.274670 -1.227888
C -3.515371 1.732630 -0.410716
C -0.089292 -1.745650 0.337516
C 1.134717 -1.481672 1.235211
C 1.995163 -0.336883 0.700493
C 2.515180 -0.389689 -0.619742
C 2.290821 0.790409 1.507266
C 3.312246 0.663736 -1.117956
C 3.091303 1.845456 1.009772
C 3.604453 1.785433 -0.305546
H -2.573388 -2.136678 -0.450939
H -3.704708 -1.149963 1.608476
H -4.578667 -0.837247 0.089992
H -3.186907 -0.491811 -2.137428
H -1.411829 -0.579008 -2.033708
H -2.785417 1.209110 1.577256
H -4.552048 1.235429 1.460137
H -2.237785 1.821514 -2.188996
H -1.355711 1.532891 -0.676466
H -4.433146 1.568149 -1.012844
H -3.458716 2.818388 -0.201794
H -1.163282 -0.307094 1.383804
H 1.714680 -2.421534 1.246042
H 0.822153 -1.266664 2.274078
H 2.283760 -1.256314 -1.250245
H 1.904534 0.839162 2.533575
H 3.707643 0.610010 -2.138747
H 3.315196 2.707924 1.648046
H 4.225984 2.600670 -0.692624


