%chk=000153989.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153989

0 1
 O    5.672400       2.455100     -0.1276000    
 N   -2.581500      0.4973000     -0.8531000    
 N   -3.950800       3.150500       1.008600    
 N  -5.2499998E-02 -0.4501000     -0.2900000    
 N   0.3113000      -3.096000      0.3463000    
 N   -3.485200      -1.661300     -0.5028000    
 C   -3.769500       2.548900      -1.388700    
 C   -3.863900       1.041900      -1.153100    
 C   -3.183800       3.342000     -0.2163000    
 C   -1.098200      -1.292300     -0.2500000    
 C    1.187800     -0.9020000     -1.6100001E-02
 C  -0.9171000      -2.633500      7.2099999E-02
 C   -2.389800     -0.8706000     -0.5242000    
 C    2.312900     -4.7100000E-02 -4.7300000E-02
 C    1.357500      -2.254900      0.3069000    
 C    3.601000     -0.5551000      0.2461000    
 C   -2.023500      -3.473600      0.1029000    
 C    2.627400      -2.737200      0.5920000    
 C    3.742400      -1.905200      0.5644000    
 C    2.204200       1.323500     -0.3660000    
 C    4.719400      0.2949000      0.2154000    
 C   -3.272800      -2.951600     -0.1873000    
 C   -5.317600       3.648800      0.8444000    
 C   -3.298700       3.819900       2.135600    
 C    4.580400       1.643900     -0.1021000    
 C   -1.891500      -4.919800      0.4440000    
 C    3.323500       2.158100     -0.3930000    
 C    5.456300       3.825600     -0.4612000    
 H   -4.751500       2.936700      -1.681700    
 H   -3.120800       2.723700      -2.258200    
 H   -4.266400      0.5728000      -2.059000    
 H   -4.571600      0.8369000     -0.3415000    
 H   -3.139400       4.404100     -0.4923000    
 H   -2.146000       3.022800     -5.8300000E-02
 H   -1.756300      0.9819000      -1.192900    
 H    2.765400      -3.787000      0.8437000    
 H    4.718300      -2.326700      0.7947000    
 H    1.235900       1.763200     -0.5993000    
 H    5.710500     -9.5299996E-02  0.4411000    
 H   -4.166100      -3.567800     -0.1753000    
 H   -5.895900       3.037800      0.1450000    
 H   -5.343600       4.692700      0.5108000    
 H   -5.860500       3.588400       1.795500    
 H   -3.225100       4.903300       1.986600    
 H   -2.288900       3.422400       2.287500    
 H   -3.849300       3.635200       3.064700    
 H   -1.230100      -5.421700     -0.2699000    
 H   -1.486100      -5.038100       1.454400    
 H   -2.857300      -5.436000      0.4149000    
 H    3.138700       3.196000     -0.6485000    
 H    5.069800       3.935500      -1.480100    
 H    6.431400       4.322700     -0.4338000    
 H    4.821900       4.324600      0.2792000    


%chk=000153989-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153989

0 1
O 6.619003 1.815908 -1.019679
N -2.011869 1.200335 -0.953150
N -5.453408 2.473472 0.661083
N 0.384537 -0.021398 -0.353938
N 0.403193 -2.649603 0.807258
N -3.231486 -0.677233 -0.154602
C -3.406933 3.251288 -0.552452
C -3.173419 1.980132 -1.405209
C -4.043982 2.907819 0.813446
C -0.771192 -0.693288 -0.087052
C 1.565422 -0.639782 -0.050997
C -0.784702 -2.021935 0.495489
C -2.054872 -0.055025 -0.399015
C 2.833189 0.028034 -0.315834
C 1.559431 -1.972652 0.540900
C 4.064496 -0.643808 0.016268
C -2.046963 -2.669686 0.738764
C 2.820580 -2.608457 0.859087
C 4.017541 -1.970573 0.607683
C 2.897605 1.324546 -0.894347
C 5.304398 -0.002895 -0.238105
C -3.195459 -1.945809 0.393462
C -6.402832 3.598221 0.597547
C -5.865224 1.428135 1.617472
C 5.340822 1.281935 -0.812656
C -2.106311 -4.056027 1.337453
C 4.126002 1.953720 -1.144393
C 6.717129 3.150783 -1.618420
H -4.073638 3.936118 -1.112346
H -2.448474 3.789351 -0.399822
H -3.023992 2.256672 -2.467960
H -4.065282 1.335228 -1.332742
H -3.953951 3.780743 1.507762
H -3.471120 2.078635 1.268002
H -1.064804 1.570650 -1.083864
H 2.774589 -3.607697 1.302172
H 4.966327 -2.461868 0.852822
H 1.958369 1.826444 -1.144012
H 6.249320 -0.497842 0.007729
H -4.182903 -2.394552 0.558463
H -6.099978 4.310607 -0.190751
H -6.480391 4.167728 1.560332
H -7.410485 3.223031 0.341945
H -5.867603 1.768521 2.684823
H -5.185691 0.563988 1.520095
H -6.887825 1.086687 1.371204
H -1.571345 -4.787794 0.704895
H -1.616097 -4.085307 2.327728
H -3.152648 -4.389517 1.452219
H 4.141117 2.952079 -1.590888
H 6.269977 3.171494 -2.630916
H 7.795765 3.353672 -1.685633
H 6.233167 3.914971 -0.980120


