%chk=000082123.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082123

0 1
 O   -2.712600      -2.106900     -2.8999999E-02
 N    4.873100     -4.3099999E-02 -0.1793000    
 N  -0.6637000      0.2339000      0.6026000    
 N   -3.321300     -0.9866000     -6.6000000E-02
 N   -1.258000      0.1233000     -0.4956000    
 C    3.478200      2.6500000E-02  1.7600000E-02
 C    2.828400       1.259900     -2.7300000E-02
 C    2.748700      -1.137800      0.2576000    
 C   0.7192000      0.1645000      0.4073000    
 C    1.448900       1.328900      0.1675000    
 C    1.369200      -1.068800      0.4524000    
 C    5.724800       1.064900      0.2051000    
 C    5.474600      -1.229100     -0.7558000    
 C   -2.647800      0.1928000     -0.2987000    
 C   -3.308600       1.411600     -0.3402000    
 C   -4.688300     -0.9425000      0.1296000    
 C   -4.684600       1.444600     -0.1421000    
 C   -5.380000      0.2637000      9.4099998E-02
 H    3.364800       2.183900     -0.2235000    
 H    3.225100      -2.112500      0.3113000    
 H   0.9509000       2.294300      0.1287000    
 H   0.8094000      -1.981200      0.6419000    
 H    5.693100       1.858500     -0.5488000    
 H    6.768500      0.7460000      0.3032000    
 H    5.430000       1.479400       1.175900    
 H    6.475000      -1.013800      -1.147600    
 H    4.883700      -1.611100      -1.596000    
 H    5.578800      -2.016900     -2.3000001E-03
 H   -2.766700       2.334300     -0.5253000    
 H   -5.156500      -1.899800      0.3068000    
 H   -5.215700       2.391500     -0.1719000    
 H   -6.454000      0.2818000      0.2496000    


%chk=000082123-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082123

0 1
O -3.125223 -2.434581 -0.083803
N 4.991785 -0.055826 -0.140310
N -0.617875 0.732622 0.030973
N -3.604267 -1.200755 -0.004863
N -1.390479 -0.343803 -0.007957
C 3.610592 0.113946 -0.098126
C 3.025152 1.422579 -0.017015
C 2.723178 -1.019875 -0.135176
C 0.763097 0.452935 -0.014352
C 1.634823 1.578542 0.023555
C 1.338008 -0.854372 -0.094542
C 5.880991 1.114754 -0.092921
C 5.573590 -1.404296 -0.233714
C -2.761041 -0.054167 0.038139
C -3.349551 1.235224 0.121339
C -4.990404 -1.012687 0.038167
C -4.739111 1.411168 0.163033
C -5.565319 0.254635 0.120016
H 3.659198 2.312273 0.012752
H 3.131417 -2.032525 -0.195294
H 1.185262 2.575515 0.084902
H 0.662026 -1.714921 -0.122833
H 5.710668 1.792463 -0.953091
H 6.929245 0.780524 -0.125635
H 5.736845 1.698074 0.838071
H 6.671078 -1.326727 -0.269705
H 5.238438 -1.930685 -1.148967
H 5.303597 -2.028598 0.640931
H -2.650190 2.075942 0.150752
H -5.554848 -1.945455 0.000826
H -5.177772 2.410895 0.227108
H -6.656311 0.331383 0.149543


