%chk=000089975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089975

0 1
 O    5.004700       1.073800      2.3000001E-03
 N   -1.511000       1.424800     -3.9999999E-04
 N    3.584300     -0.8081000     -3.0000001E-04
 C  -0.1083000     -0.5300000       0.000000    
 C  -0.2863000      0.8638000     -3.0000001E-04
 C   -2.527100     -0.7561000      1.9999999E-04
 C   -1.253300      -1.333400      1.9999999E-04
 C   -2.610500      0.6465000     -1.9999999E-04
 C    1.184000      -1.083100      9.9999997E-05
 C    2.303400     -0.2563000       0.000000    
 C   0.8496000       1.668800     -3.9999999E-04
 C    2.135500       1.122500     -3.0000001E-04
 C   -3.694600      -1.539100      3.9999999E-04
 C   -3.876000       1.227100     -3.0000001E-04
 C   -4.947900     -0.9340000      3.9999999E-04
 C   -5.038300      0.4521000      9.9999997E-05
 C    4.815500     -0.1383000     -6.0000003E-04
 C    5.976300      -1.100900     -7.9999998E-04
 H   -1.152100      -2.418000      3.9999999E-04
 H    1.310100      -2.164600      1.9999999E-04
 H   0.7429000       2.752200     -6.0000003E-04
 H    2.948700       1.835000     -6.9999998E-04
 H   -3.633300      -2.625200      6.9999998E-04
 H   -3.973300       2.311300     -5.0000002E-04
 H    3.618900      -1.825400     -3.9999999E-04
 H   -5.847800      -1.541200      6.0000003E-04
 H   -6.011400      0.9344000       0.000000    
 H    5.949600      -1.711700      0.9060000    
 H    6.918100     -0.5460000     -2.8300000E-02
 H    5.921100      -1.748900     -0.8801000    


%chk=000089975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089975

0 1
O 5.051861 1.086134 -0.004009
N -1.552429 1.476701 0.000761
N 3.631077 -0.791660 -0.002286
C -0.109538 -0.555903 -0.000853
C -0.313909 0.893416 0.000034
C -2.553529 -0.803175 -0.000286
C -1.261442 -1.381349 -0.000985
C -2.652726 0.657114 0.000617
C 1.226806 -1.071269 -0.001586
C 2.332022 -0.212079 -0.001513
C 0.847951 1.742210 0.000114
C 2.134238 1.221168 -0.000653
C -3.763853 -1.582989 -0.000428
C -3.957708 1.263825 0.001366
C -5.008240 -0.960220 0.000298
C -5.105310 0.476015 0.001212
C 4.886908 -0.166853 -0.002334
C 6.054496 -1.155091 0.001422
H -1.153921 -2.473727 -0.001655
H 1.370607 -2.160814 -0.002243
H 0.678322 2.823138 0.000753
H 3.012870 1.868356 -0.000776
H -3.688337 -2.677428 -0.001120
H -4.003482 2.357212 0.002037
H 3.647957 -1.814860 -0.002339
H -5.924586 -1.560745 0.000182
H -6.094634 0.946892 0.001780
H 6.048749 -1.778187 0.915181
H 6.994094 -0.585501 -0.030123
H 6.017187 -1.828331 -0.875171


