%chk=000159829.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159829

0 1
 O   -2.942400      0.8010000      -1.794200    
 N  -0.3175000       2.479300      0.9289000    
 N    4.594800     -0.2575000      -1.260800    
 N   -3.838600     -0.6890000     -0.2517000    
 C   0.5297000      0.1295000      0.9962000    
 C   0.8900000       1.651200      0.7381000    
 C  -0.6380000     -0.3117000      0.1035000    
 C   -1.827000      0.6298000      0.2789000    
 C    1.663100       1.914600     -0.6140000    
 C   -1.429900       2.091600      5.6000002E-02
 C    1.733000     -0.7604000      0.7709000    
 C    2.728900     -0.2975000     -9.5200002E-02
 C    2.777100      0.9346000     -0.7772000    
 C   -2.913300      0.2613000     -0.6850000    
 C  -5.2299999E-02   3.912100      0.8378000    
 C    3.858700      -1.034500     -0.3927000    
 C    1.918700      -2.030000       1.327100    
 C    3.946500      0.9382000      -1.501000    
 C    4.063700      -2.299800      0.1589000    
 C    3.065800      -2.780100       1.025500    
 C   -4.944500      -1.138000      -1.087900    
 C   -3.766200      -1.303300       1.071700    
 C   -4.545600      -2.340100      -1.926900    
 C   -4.554600     -0.5012000       2.093100    
 H   0.2299000      3.2600001E-02   2.049400    
 H    1.591000       1.921900       1.543500    
 H  -0.3267000     -0.3189000     -0.9508000    
 H  -0.9115000      -1.349200      0.3261000    
 H   -2.174500      0.5786000       1.313400    
 H    2.073700       2.930600     -0.6210000    
 H   0.9892000       1.819700      -1.472600    
 H   -1.172400       2.281600     -0.9936000    
 H   -2.303700       2.720100      0.2760000    
 H  -0.9277000       4.481100       1.170600    
 H   0.1886000       4.233300     -0.1812000    
 H   0.7733000       4.198600       1.498500    
 H    1.171300      -2.445300       1.998200    
 H    4.384600       1.672100      -2.162400    
 H    5.482400     -0.5221000      -1.664900    
 H    4.945400      -2.888300     -6.7400001E-02
 H    3.186600      -3.764100       1.473500    
 H   -5.814200      -1.367000     -0.4630000    
 H   -5.228200     -0.3194000      -1.758900    
 H   -4.174900      -2.319000       1.010100    
 H   -2.738400      -1.424100       1.413700    
 H   -3.691600      -2.105000      -2.570800    
 H   -4.262600      -3.188600      -1.295800    
 H   -5.378600      -2.652000      -2.564300    
 H   -4.207800      0.5337000       2.165800    
 H   -5.617300     -0.4697000       1.830200    
 H   -4.467900     -0.9606000       3.082700    


%chk=000159829-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159829

0 1
O -2.976052 0.661045 -1.859459
N -0.266805 2.453715 0.912127
N 4.712268 -0.254746 -1.335233
N -3.911721 -0.688989 -0.218213
C 0.609545 0.138650 0.972053
C 0.957016 1.641945 0.688945
C -0.583379 -0.319702 0.085399
C -1.815518 0.606824 0.295452
C 1.648600 1.881346 -0.710691
C -1.414887 2.082206 0.054023
C 1.823819 -0.759872 0.777267
C 2.804424 -0.301595 -0.129101
C 2.813931 0.935014 -0.865399
C -2.943396 0.205708 -0.666957
C -0.033789 3.907749 0.964274
C 3.990011 -1.038502 -0.424760
C 2.059792 -2.004580 1.394038
C 4.000003 0.941852 -1.596606
C 4.223591 -2.293612 0.185639
C 3.241033 -2.753888 1.093101
C -4.987085 -1.085541 -1.161769
C -3.946741 -1.296839 1.131257
C -4.631455 -2.357056 -1.961425
C -4.790716 -0.489091 2.143132
H 0.275042 0.094962 2.028650
H 1.691075 1.949834 1.461662
H -0.292494 -0.305540 -0.982574
H -0.836901 -1.370190 0.327968
H -2.136486 0.524807 1.350741
H 1.968421 2.937860 -0.780434
H 0.908319 1.721246 -1.519842
H -1.228328 2.228858 -1.034412
H -2.263461 2.741067 0.320038
H -0.935586 4.411547 1.358998
H 0.203642 4.372262 -0.024540
H 0.805182 4.123104 1.651138
H 1.341226 -2.408509 2.117965
H 4.403455 1.685616 -2.281799
H 5.613322 -0.494988 -1.741685
H 5.119570 -2.890345 -0.018089
H 3.394110 -3.719431 1.589357
H -5.916656 -1.236212 -0.580292
H -5.142905 -0.244723 -1.858183
H -4.368406 -2.314796 1.025902
H -2.919183 -1.427960 1.510350
H -3.730929 -2.177017 -2.572546
H -4.437430 -3.217693 -1.294365
H -5.461762 -2.630865 -2.638346
H -4.355745 0.512350 2.310286
H -5.824064 -0.353352 1.776202
H -4.837417 -1.013236 3.115754


