%chk=000072347.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072347

0 1
 O    3.033300       2.274700     -0.1326000    
 N   0.5078000     -0.7168000     -0.9406000    
 N   0.7162000       2.117200     -0.1465000    
 N    2.013800      -2.150800      0.2498000    
 N   -4.308600     -0.4899000     -0.2752000    
 N   -4.610300      -1.072300      0.7896000    
 N   -4.891300      -1.606100       1.758400    
 C  -0.6216000      3.9500002E-02 -0.5597000    
 C  -0.5194000       1.379600     -0.1251000    
 C    1.605400     -0.8887000     -7.1300000E-02
 C   0.3222000      -1.807300      -1.902300    
 C    2.238700      0.2182000      0.4833000    
 C    2.009600       1.600100      2.0700000E-02
 C   -1.910000     -0.5530000     -0.5960000    
 C   -1.704300       2.057900      0.2503000    
 C   0.6184000       3.570200     -0.3449000    
 C   -3.059700      0.1361000     -0.2166000    
 C    1.560300      -1.997900      -2.761800    
 C    3.276500      1.8500000E-02   1.407000    
 C   -2.955700       1.445500      0.2114000    
 C    3.665500      -1.264500       1.757200    
 C    3.013000      -2.310400       1.144900    
 H   4.9600001E-02  -2.745800      -1.402900    
 H  -0.4897000      -1.564000      -2.600400    
 H   -2.026900      -1.591400     -0.9031000    
 H   -1.678500       3.087400      0.6003000    
 H   0.3705000       4.044300      0.6099000    
 H  -0.1349000       3.802800      -1.104700    
 H    1.567300       3.992100     -0.6892000    
 H    1.876200      -1.051100      -3.213500    
 H    2.411600      -2.409100      -2.213200    
 H    1.340700      -2.698400      -3.574900    
 H    3.800100      0.8618000       1.851600    
 H   -3.836400       2.006000      0.5130000    
 H    4.464600      -1.435800       2.468400    
 H    3.279100      -3.339400       1.361400    


%chk=000072347-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072347

0 1
O 2.878312 2.559057 0.423795
N 0.605789 -0.784191 -0.914489
N 0.700656 2.051157 -0.182392
N 2.269781 -2.133139 0.083716
N -4.147373 -0.933571 0.134542
N -5.247605 -0.459331 0.542108
N -6.356589 -0.201685 0.880277
C -0.557113 -0.099057 -0.427437
C -0.493935 1.269891 -0.031005
C 1.721855 -0.884652 -0.043653
C 0.418872 -1.865520 -1.928195
C 2.254407 0.252202 0.644029
C 1.963135 1.682580 0.302447
C -1.790554 -0.786675 -0.337588
C -1.672962 1.901781 0.440742
C 0.559327 3.466648 -0.602868
C -2.959114 -0.131599 0.109612
C 1.554399 -1.877724 -2.966455
C 3.317449 0.028244 1.553626
C -2.904419 1.227820 0.507471
C 3.833049 -1.268685 1.745398
C 3.298290 -2.310251 0.954247
H 0.350187 -2.853682 -1.434252
H -0.537228 -1.655031 -2.437458
H -1.857459 -1.843928 -0.604597
H -1.624929 2.949464 0.752576
H 0.393720 4.142743 0.257140
H -0.282092 3.547573 -1.308910
H 1.495850 3.779723 -1.088387
H 1.641914 -0.896746 -3.465649
H 2.518470 -2.126786 -2.494733
H 1.342808 -2.643108 -3.735631
H 3.755100 0.898604 2.052079
H -3.799364 1.748325 0.864724
H 4.648956 -1.463129 2.446457
H 3.701510 -3.328123 1.011415


