%chk=000080767.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080767

0 1
 O   -2.889800       3.085700      0.1704000    
 O  -0.9294000       2.165100     -0.1880000    
 O   -6.744500      -1.769200      4.8599999E-02
 O   -6.865100      0.4042000      0.3334000    
 N    5.480600     -0.1162000     -7.8699999E-02
 N  -7.1300000E-02 -0.3984000      0.5824000    
 N  -0.6409000     -0.2760000     -0.5275000    
 N   -2.171700       2.081000     -4.4100001E-02
 N   -6.202400     -0.6399000      0.1209000    
 C    6.321400      0.4088000      0.9790000    
 C    6.097100     -0.5794000      -1.306100    
 C    4.082400     -0.1878000      8.9500003E-02
 C    3.348200      0.9743000      0.3261000    
 C    3.433200      -1.420200      1.7400000E-02
 C    6.738700     -0.7075000       1.917000    
 C    6.165200      0.5507000      -2.315300    
 C    1.964900      0.9041000      0.4908000    
 C    2.049900      -1.490600      0.1819000    
 C    1.315700     -0.3284000      0.4186000    
 C   -2.034800     -0.3465000     -0.3625000    
 C   -2.787800      0.8012000     -0.1264000    
 C   -4.795200     -0.5404000     -4.2500000E-02
 C   -4.169900      0.7042000      3.3799998E-02
 C   -2.656200      -1.590900     -0.4395000    
 C   -4.038300      -1.687800     -0.2792000    
 H    7.219100      0.8729000      0.5531000    
 H    5.815000       1.196100       1.549200    
 H    7.112900     -0.9414000      -1.106500    
 H    5.554400      -1.426400      -1.741100    
 H    3.837000       1.943700      0.3787000    
 H    3.990700      -2.337200     -0.1553000    
 H    5.869100      -1.168800       2.396900    
 H    7.282500      -1.494400       1.383700    
 H    7.392000     -0.3178000       2.704000    
 H    5.164400      0.9113000      -2.575400    
 H    6.735200       1.400000      -1.924400    
 H    6.651400      0.2100000      -3.234800    
 H    1.415700       1.818000      0.6919000    
 H    1.553300      -2.455900      0.1268000    
 H   -4.763500       1.596500      0.2185000    
 H   -2.075100      -2.490600     -0.6245000    
 H   -4.491200      -2.673800     -0.3453000    


%chk=000080767-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080767

0 1
O -3.302969 2.234131 2.647855
O -1.500861 0.835833 2.790383
O -6.835201 -0.927472 -1.553455
O -7.174077 0.406600 0.271327
N 5.593978 -0.115327 -0.230032
N -0.005339 -0.940916 -0.161578
N -0.775362 0.007778 0.337043
N -2.590861 1.236597 2.228020
N -6.407344 -0.249414 -0.536950
C 6.229368 1.146732 0.219797
C 6.514881 -1.177322 -0.700412
C 4.218984 -0.297103 -0.203253
C 3.345240 0.703286 0.363984
C 3.609409 -1.491403 -0.728558
C 6.520590 1.176735 1.737413
C 6.738590 -1.158031 -2.229850
C 1.964480 0.527530 0.391005
C 2.224900 -1.665252 -0.685858
C 1.370003 -0.661865 -0.140792
C -2.157309 -0.181642 0.174177
C -3.073069 0.508837 1.035104
C -4.953227 -0.227651 -0.289103
C -4.457748 0.512563 0.800516
C -2.712530 -0.915738 -0.921108
C -4.090725 -0.953451 -1.150342
H 7.175149 1.259221 -0.341555
H 5.594929 2.002341 -0.071283
H 7.480555 -1.031526 -0.182475
H 6.136424 -2.162959 -0.375649
H 3.764573 1.609860 0.807706
H 4.223191 -2.274948 -1.178840
H 5.592293 1.076766 2.325704
H 7.196153 0.351924 2.027079
H 7.006344 2.129948 2.014508
H 5.791119 -1.309191 -2.775190
H 7.166119 -0.192516 -2.554421
H 7.440703 -1.959336 -2.523743
H 1.309435 1.280019 0.840931
H 1.762576 -2.574812 -1.083527
H -5.133652 1.066108 1.456756
H -2.013040 -1.440767 -1.578195
H -4.523769 -1.521864 -1.977638


