%chk=000050851.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050851

0 1
 O   0.1933000     -0.7263000     -0.6485000    
 N   -4.548300     -0.3796000      0.2774000    
 N   -5.621300      0.5430000      0.4629000    
 C   -2.155400     -0.5629000     -0.2083000    
 C  -0.8633000      0.2039000     -0.4557000    
 C   -3.330900      0.3811000      2.2800000E-02
 C    1.449800     -0.3203000     -0.2803000    
 C    1.785100       1.026800     -0.3496000    
 C    2.375100      -1.260500      0.1579000    
 C    3.063900       1.439600      2.4400000E-02
 C    3.653800     -0.8475000      0.5319000    
 C    3.998200      0.5027000      0.4652000    
 H   -2.021200      -1.226100      0.6563000    
 H   -2.353000      -1.222300      -1.063400    
 H  -0.6834000      0.8460000      0.4165000    
 H  -0.9619000      0.8264000      -1.352500    
 H   -3.454500       1.023400     -0.8589000    
 H   -3.108100       1.029400      0.8799000    
 H   -4.755400     -0.9811000     -0.5193000    
 H    1.097500       1.783800     -0.7139000    
 H    2.110800      -2.312800      0.2113000    
 H    3.334700       2.489900     -3.3700000E-02
 H    4.381600      -1.577200      0.8749000    
 H    4.994400      0.8239000      0.7549000    
 H   -5.829400       1.005000     -0.4221000    
 H   -6.462400      2.2900000E-02  0.7098000    


%chk=000050851-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050851

0 1
O 0.166192 -0.737852 0.091080
N -4.700929 -0.356155 -0.013846
N -5.878692 0.439989 -0.054198
C -2.235075 -0.509341 0.052333
C -0.914013 0.259788 -0.007277
C -3.450369 0.433061 -0.071331
C 1.491709 -0.273173 0.073284
C 1.862201 1.090704 -0.042506
C 2.487437 -1.276958 0.182386
C 3.234340 1.436450 -0.047489
C 3.848581 -0.915494 0.175914
C 4.232607 0.444107 0.060918
H -2.300621 -1.064701 1.004679
H -2.243991 -1.257507 -0.765546
H -0.835485 0.980096 0.833949
H -0.818913 0.819426 -0.962047
H -3.365747 1.036226 -1.011270
H -3.478804 1.149574 0.768895
H -4.693080 -1.132390 -0.697556
H 1.107092 1.877786 -0.127415
H 2.171562 -2.321055 0.271795
H 3.518259 2.491382 -0.136931
H 4.612699 -1.696345 0.261553
H 5.291855 0.721699 0.056744
H -6.228539 0.743819 -0.971353
H -6.590577 0.148065 0.615136


