%chk=000050364.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050364

0 1
 O   -5.110700      -2.141200      0.7810000    
 N    5.633200     -0.5683000     -0.1232000    
 N  -0.4159000      0.4170000     -0.5167000    
 N   0.1206000      0.1169000      0.5756000    
 C   -4.028500     -0.3293000     -0.3154000    
 C    4.244400     -0.3954000      5.2800000E-02
 C   -2.655100     -0.4995000     -0.4904000    
 C   -1.793200      0.5872000     -0.3416000    
 C    1.504500     -5.4499999E-02  0.4001000    
 C   -4.539900      0.9274000      8.2999999E-03
 C   -4.950600      -1.490900     -0.4738000    
 C    3.733200      0.8617000      0.3756000    
 C    3.382000      -1.481700     -9.6100003E-02
 C   -2.304900       1.844000     -1.7999999E-02
 C    2.359900       1.032500      0.5499000    
 C    2.008600      -1.310700      7.7900000E-02
 C   -3.678200       2.013900      0.1570000    
 C    6.490600      0.4709000     -0.6029000    
 H   -2.253400      -1.478600     -0.7415000    
 H   -5.607800       1.072500      0.1491000    
 H   -5.933800      -1.167000     -0.8326000    
 H   -4.555200      -2.211500      -1.198100    
 H    4.379100       1.725000      0.5065000    
 H    3.767300      -2.466500     -0.3479000    
 H   -1.641600       2.697000      9.9399999E-02
 H    1.970000       2.014600      0.8039000    
 H    1.343800      -2.162300     -3.9200000E-02
 H   -4.076400       2.992300      0.4094000    
 H    5.954100      -1.525400     -0.2298000    
 H    6.109100      0.9101000      -1.530600    
 H    7.483200      6.0600001E-02 -0.8153000    
 H    6.620800       1.260800      0.1436000    
 H   -5.715300      -2.889500      0.6388000    


%chk=000050364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050364

0 1
O -6.505054 -0.442691 -1.249871
N 5.905622 0.140374 -0.025532
N -0.495768 -0.051729 -0.064828
N 0.325395 0.150373 0.941762
C -4.182131 -0.248528 -0.560558
C 4.529249 0.134816 0.167905
C -2.785298 -0.246681 -0.778242
C -1.883323 -0.028208 0.293958
C 1.704507 0.131105 0.605733
C -4.678465 -0.028796 0.745356
C -5.120293 -0.486454 -1.733017
C 3.620097 -0.081413 -0.918844
C 3.992902 0.349154 1.477407
C -2.387985 0.192829 1.608299
C 2.236961 -0.082713 -0.700406
C 2.608745 0.346335 1.685390
C -3.777888 0.190131 1.819208
C 6.554757 -0.067197 -1.318792
H -2.359664 -0.413125 -1.775706
H -5.760034 -0.032384 0.903365
H -4.948539 0.293862 -2.507017
H -4.894573 -1.474574 -2.191366
H 4.008057 -0.246620 -1.928981
H 4.675512 0.516358 2.320141
H -1.677644 0.359571 2.423464
H 1.535676 -0.247158 -1.524732
H 2.187361 0.509165 2.683069
H -4.175557 0.358990 2.826806
H 6.495522 0.299731 0.789581
H 6.307881 -1.058383 -1.748919
H 7.647979 -0.016981 -1.187755
H 6.263516 0.708346 -2.055192
H -7.123621 -0.595406 -2.005886


