%chk=000005497.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005497

0 1
 O   0.8825000      -1.662200      -1.210200    
 N    1.636900      0.1890000      1.7000000E-03
 N   -2.644400     -0.6924000       1.215400    
 C    3.042500     -8.3999999E-02 -0.2624000    
 C    1.363800       1.371000      0.8164000    
 C   0.6619000     -0.6659000     -0.5228000    
 C    3.613000     -0.9797000      0.8203000    
 C    1.201100       2.590400     -7.0600003E-02
 C  -0.7508000     -0.3784000     -0.2276000    
 C   -1.487600      0.4344000      -1.066200    
 C   -1.352300     -0.9163000      0.8868000    
 C   -2.820300      0.6882000     -0.7614000    
 C   -3.346600      0.1060000      0.3806000    
 H    3.137200     -0.5875000      -1.231000    
 H    3.598500      0.8574000     -0.3256000    
 H   0.4532000       1.223900       1.403200    
 H    2.182500       1.519400       1.529000    
 H    3.548900     -0.5062000       1.805300    
 H    3.073300      -1.931300      0.8734000    
 H    4.666000      -1.197400      0.6165000    
 H    2.115300       2.790000     -0.6395000    
 H   0.3876000       2.476700     -0.7900000    
 H   0.9881000       3.473300      0.5404000    
 H   -1.048300      0.8689000      -1.959300    
 H  -0.8119000      -1.559600       1.573900    
 H   -3.428300       1.320000      -1.398600    
 H   -4.381200      0.2721000      0.6621000    


%chk=000005497-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005497

0 1
O 0.948059 -1.227480 -1.545532
N 1.630277 0.300691 0.076175
N -2.607922 -0.294344 1.406832
C 3.047482 -0.042346 -0.219710
C 1.388782 1.490804 0.928651
C 0.651022 -0.396814 -0.621692
C 3.546541 -1.220328 0.642615
C 1.597661 2.821778 0.170904
C -0.800215 -0.195237 -0.254612
C -1.751892 0.003686 -1.286328
C -1.286769 -0.359933 1.069545
C -3.120112 0.086258 -0.954339
C -3.501483 -0.057886 0.400800
H 3.119976 -0.308790 -1.288318
H 3.661698 0.858629 -0.042401
H 0.362038 1.456896 1.322647
H 2.072234 1.436144 1.797727
H 3.469563 -0.992251 1.721399
H 2.951730 -2.124798 0.430159
H 4.604826 -1.442110 0.411941
H 2.617331 2.897950 -0.247286
H 0.877751 2.912657 -0.661626
H 1.445869 3.676244 0.855654
H -1.410750 0.071530 -2.324264
H -0.599321 -0.583126 1.894624
H -3.880169 0.247913 -1.724981
H -4.553609 0.004064 0.701218


