%chk=000013738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013738

0 1
 O   6.6399999E-02  -1.667700      0.9448000    
 N    4.086700      7.3799998E-02 -5.6400001E-02
 N  -0.5376000      0.4234000      0.4161000    
 N   -1.307900      -1.714700      0.6780000    
 C    2.672600     -0.2139000     -0.2935000    
 C    1.858200     -6.4000003E-02  0.9930000    
 C    4.254900       1.441700      0.4328000    
 C    4.862000     -0.1306000      -1.279400    
 C   0.4014000     -0.3816000      0.7618000    
 C    5.712300       1.738500      0.7430000    
 C    4.699000      -1.547700      -1.802400    
 C   -1.589600     -0.4444000      0.3735000    
 C   -2.910800     -9.1000004E-03  2.2800000E-02
 C   -3.962800     -0.9254000     -9.8999999E-03
 C   -3.145800       1.331500     -0.2860000    
 C   -5.247400     -0.5022000     -0.3512000    
 C   -4.430500       1.754700     -0.6272000    
 C   -5.481100      0.8378000     -0.6597000    
 H    2.259700      0.4338000      -1.079100    
 H    2.527800      -1.248800     -0.6223000    
 H    1.866900      0.9607000       1.376700    
 H    2.253300     -0.7164000       1.781300    
 H    3.865200       2.184200     -0.2747000    
 H    3.739600       1.588400       1.385500    
 H    4.587300      0.5850000      -2.064600    
 H    5.932100     -9.8999999E-03  -1.081600    
 H    6.168400      0.9478000       1.348700    
 H    6.311200       1.884800     -0.1612000    
 H    5.783400       2.669800       1.316400    
 H    4.820100      -2.292800      -1.008500    
 H    3.736000      -1.704200      -2.298100    
 H    5.469400      -1.749200      -2.555700    
 H   -3.819100      -1.977200      0.2243000    
 H   -2.348300       2.070200     -0.2698000    
 H   -6.065800      -1.215600     -0.3767000    
 H   -4.613000       2.798000     -0.8675000    
 H   -6.481300       1.167300     -0.9254000    


%chk=000013738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013738

0 1
O 0.099289 -1.671983 -0.249258
N 4.138415 0.229407 -0.318051
N -0.665069 0.347503 0.459040
N -1.355173 -1.676331 -0.469140
C 2.732305 -0.077450 -0.661033
C 1.844233 -0.126268 0.618844
C 4.391065 1.688879 -0.163701
C 5.121491 -0.445086 -1.210099
C 0.412062 -0.414709 0.313763
C 5.563687 1.999167 0.786212
C 5.264441 -1.950399 -0.916271
C -1.731284 -0.448880 -0.024594
C -3.125781 0.015320 -0.041593
C -4.166217 -0.816083 -0.538064
C -3.432314 1.312508 0.447379
C -5.496015 -0.350483 -0.543103
C -4.766221 1.771684 0.439504
C -5.801081 0.943475 -0.054736
H 2.301147 0.661559 -1.379079
H 2.685625 -1.064642 -1.152063
H 1.885098 0.836496 1.154240
H 2.259023 -0.902535 1.285957
H 4.566773 2.176164 -1.155933
H 3.474316 2.150871 0.248400
H 4.866133 -0.291222 -2.289109
H 6.102150 0.038445 -1.050369
H 5.368612 1.569228 1.783944
H 6.516376 1.578865 0.416555
H 5.698572 3.092086 0.889476
H 5.582275 -2.104816 0.129427
H 4.314178 -2.494231 -1.066751
H 6.017361 -2.404228 -1.587409
H -3.922742 -1.815660 -0.913009
H -2.618746 1.938634 0.826331
H -6.295615 -0.993766 -0.926220
H -4.998863 2.772917 0.818110
H -6.836604 1.301561 -0.059792


