%chk=000050869.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050869

0 1
 O   -1.927000     -0.7705000     -0.6703000    
 N    6.606700      0.6327000      0.3244000    
 N    7.802700     -0.1394000      0.4278000    
 C    2.954100     -0.4786000     -0.1309000    
 C    1.651600      0.3089000     -0.2888000    
 C    4.156400      0.4604000      8.7000001E-03
 C   0.4473000     -0.6240000     -0.3944000    
 C    5.485100     -0.2831000      0.1545000    
 C  -0.8476000      0.1506000     -0.5946000    
 C   -3.150600     -0.3260000     -0.2411000    
 C   -3.472000       1.021500     -0.3561000    
 C   -4.056700      -1.227300      0.3054000    
 C   -4.716800       1.474000      8.1500001E-02
 C   -5.301600     -0.7749000      0.7429000    
 C   -5.631600      0.5757000      0.6310000    
 H    3.097700      -1.131800      -1.000000    
 H    2.890900      -1.124300      0.7533000    
 H    1.710800      0.9375000      -1.185700    
 H    1.521000      0.9804000      0.5686000    
 H    4.005400       1.107500      0.8823000    
 H    4.203400       1.118500     -0.8685000    
 H   0.3668000      -1.242700      0.5082000    
 H   0.5814000      -1.325400      -1.227400    
 H    5.635000     -0.9107000     -0.7340000    
 H    5.418100     -0.9523000       1.022200    
 H  -0.8007000      0.7264000      -1.526200    
 H  -0.9601000      0.8381000      0.2540000    
 H    6.673600       1.252300     -0.4823000    
 H   -2.800600       1.747800     -0.8035000    
 H   -3.803400      -2.279800      0.3947000    
 H    8.006000     -0.5736000     -0.4722000    
 H    8.583200      0.4882000      0.6166000    
 H   -4.976900       2.524400     -1.1400000E-02
 H   -6.014000      -1.474400       1.170500    
 H   -6.601400      0.9276000      0.9703000    


%chk=000050869-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050869

0 1
O -1.925436 -0.756606 0.093443
N 6.778146 0.570936 -0.142459
N 8.036321 -0.082355 -0.006938
C 3.053020 -0.455449 -0.005423
C 1.726694 0.335671 -0.062739
C 4.300714 0.451175 -0.094382
C 0.484033 -0.578531 0.036147
C 5.619240 -0.344287 -0.022466
C -0.822727 0.214953 -0.026968
C -3.240784 -0.265692 0.069101
C -3.584456 1.102601 -0.074732
C -4.256506 -1.246491 0.201832
C -4.949345 1.475757 -0.084235
C -5.610050 -0.858010 0.190874
C -5.967092 0.506298 0.047654
H 3.072650 -1.196517 -0.831258
H 3.089719 -1.038819 0.937655
H 1.689300 0.916583 -1.008288
H 1.710379 1.078330 0.761961
H 4.292729 1.194023 0.726717
H 4.263508 1.027581 -1.044526
H 0.509062 -1.149432 0.984136
H 0.492240 -1.319929 -0.785723
H 5.616936 -1.139871 -0.810276
H 5.709459 -0.857695 0.951155
H -0.910010 0.761328 -0.990000
H -0.881767 0.950176 0.803315
H 6.704220 1.162301 -0.988879
H -2.813649 1.872031 -0.177976
H -3.961326 -2.294615 0.312300
H 8.428680 -0.556315 -0.830313
H 8.704630 0.436813 0.562319
H -5.212204 2.534016 -0.196052
H -6.389559 -1.621230 0.294878
H -7.020569 0.804971 0.039648


