%chk=000125025.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125025

1 1
 O   -2.246200       1.227900      -2.140200    
 N   0.8937000       1.187900      0.6552000    
 N   -1.220900       1.478700      -1.230100    
 C    1.720300      0.1579000      0.3928000    
 C    3.040300      0.4298000     -3.0200001E-02
 C  -0.4875000      0.9582000       1.097200    
 C    1.263800       2.469800      0.5342000    
 C    1.280200      -1.161600      0.5361000    
 C    3.899400     -0.6463000     -0.3028000    
 C    3.439500       1.766900     -0.1607000    
 C    3.452900      -1.961500     -0.1574000    
 C   -1.419300      0.8723000     -9.7499996E-02
 C    2.546000       2.794000      0.1233000    
 C    2.147600      -2.217900      0.2608000    
 C   -2.650100      4.7699999E-02  3.7799999E-02
 C    4.375900      -3.096200     -0.4508000    
 C   -3.802700      0.6462000      0.4994000    
 C   -2.595800      -1.286700     -0.3033000    
 C   -4.956800     -0.1271000      0.6258000    
 C   -3.749900      -2.059900     -0.1770000    
 C   -4.930400      -1.480100      0.2875000    
 H  -0.8035000       1.822800       1.695900    
 H  -0.5646000      0.1058000       1.773800    
 H   0.5321000       3.237300      0.7599000    
 H   0.2790000      -1.435500      0.8430000    
 H    4.919400     -0.4566000     -0.6316000    
 H    4.447400       2.016000     -0.4841000    
 H    2.848000       3.831000      2.2800000E-02
 H    1.792600      -3.239400      0.3712000    
 H    5.409300      -2.839400     -0.1942000    
 H    4.112400      -3.984000      0.1340000    
 H    4.330400      -3.351900      -1.514100    
 H   -3.828300       1.699000      0.7641000    
 H   -1.682800      -1.743300     -0.6723000    
 H   -5.876000      0.3244000      0.9875000    
 H   -3.729800      -3.113000     -0.4419000    
 H   -5.829200      -2.082000      0.3855000    
 H   -1.952100       1.739500      -2.912600    


%chk=000125025-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125025

1 1
O -1.665354 0.578947 -2.674574
N 0.795298 1.309203 0.504031
N -0.908366 0.939795 -1.500681
C 1.696466 0.242543 0.337501
C 3.069956 0.551087 0.002022
C -0.631243 1.037772 0.851724
C 1.178630 2.600843 0.305137
C 1.302545 -1.116935 0.490218
C 4.009031 -0.519402 -0.145583
C 3.450406 1.914994 -0.181039
C 3.628904 -1.856286 0.018427
C -1.478538 0.590112 -0.357017
C 2.504018 2.935837 -0.037065
C 2.251968 -2.129324 0.333246
C -2.756785 -0.097388 -0.064699
C 4.609919 -2.996973 -0.131529
C -3.306901 -0.021615 1.253473
C -3.467864 -0.849052 -1.050127
C -4.515886 -0.667895 1.573863
C -4.670090 -1.504888 -0.716558
C -5.202053 -1.417557 0.590083
H -1.045514 1.964554 1.286083
H -0.655905 0.271993 1.643682
H 0.405798 3.362414 0.425871
H 0.266330 -1.389374 0.702486
H 5.046593 -0.270511 -0.394629
H 4.487678 2.153514 -0.438276
H 2.762874 3.986542 -0.179815
H 1.936526 -3.172459 0.448933
H 5.621395 -2.640757 -0.383834
H 4.679883 -3.584544 0.802612
H 4.287260 -3.695897 -0.925198
H -2.816235 0.565038 2.038411
H -3.077787 -0.913274 -2.065771
H -4.925676 -0.585133 2.585654
H -5.198081 -2.080639 -1.483664
H -6.140800 -1.922874 0.839129
H -1.124097 0.958289 -3.415529


