%chk=000031507.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031507

0 1
 O    3.016000       1.331600      -1.137200    
 N    1.324100      0.4930000      0.8555000    
 N   0.5386000      -1.655300      0.2800000    
 N    2.598000      3.7400000E-02  0.7476000    
 N  -0.4479000      -2.501400     -0.1177000    
 C  -0.9985000      0.2028000      0.2152000    
 C   -2.016500     -0.6704000     -0.1960000    
 C   0.2605000     -0.3432000      0.4391000    
 C   -1.280600       1.568900      0.3829000    
 C   -3.306900     -0.1693000     -0.4363000    
 C   -2.565400       2.056700      0.1417000    
 C   -1.685900      -2.012600     -0.3467000    
 C   -3.576500       1.189300     -0.2671000    
 C    3.372400      0.5176000     -0.2881000    
 C    4.768500     -4.5000002E-02 -0.2728000    
 H  -0.5212000       2.281400      0.6935000    
 H   -4.107700     -0.8322000     -0.7558000    
 H    1.151700       1.215900       1.542400    
 H   -2.415900      -2.751500     -0.6612000    
 H   -2.777500       3.114100      0.2712000    
 H   -4.576000       1.571000     -0.4547000    
 H    2.909300     -0.6164000       1.457600    
 H    4.787000      -1.045800      0.1682000    
 H    5.415200      0.6170000      0.3092000    
 H    5.143600     -0.1128000      -1.297800    


%chk=000031507-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031507

0 1
O 3.609386 1.924795 0.238446
N 1.367000 0.493703 0.097667
N 0.505445 -1.636426 -0.054789
N 2.615958 -0.140142 0.083713
N -0.541989 -2.544821 -0.134692
C -1.094343 0.272943 0.032042
C -2.162108 -0.686746 -0.051268
C 0.243400 -0.290796 0.024661
C -1.397192 1.663445 0.113497
C -3.514312 -0.228115 -0.050946
C -2.732659 2.090581 0.112156
C -1.808131 -2.082985 -0.132346
C -3.794969 1.141441 0.029630
C 3.738184 0.655816 0.159155
C 5.067229 -0.071969 0.140815
H -0.597106 2.409716 0.177342
H -4.325933 -0.961828 -0.114725
H 1.434690 1.513352 0.165549
H -2.583175 -2.853933 -0.197845
H -2.964402 3.158994 0.174794
H -4.832736 1.491542 0.029581
H 2.526036 -1.165796 0.016545
H 4.955601 -1.165911 0.053898
H 5.622873 0.158699 1.066229
H 5.671653 0.295241 -0.706411


