%chk=000079323.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079323

0 1
 O    1.398100       2.384500     -0.9858000    
 N   -1.262700      0.4120000     -0.1218000    
 N    1.309100       2.292800       1.303800    
 C   -2.587400     -0.1536000     -0.2048000    
 C  -0.1019000     -0.3456000     -9.8499998E-02
 C   -3.571700      0.8792000     -0.7381000    
 C   -3.027500     -0.6859000       1.153300    
 C    1.172200      0.2499000     -1.6700000E-02
 C  -0.1754000      -1.750500     -0.1569000    
 C    2.328100     -0.5306000      6.0000001E-03
 C   0.9805000      -2.530900     -0.1340000    
 C    2.232200      -1.921000     -5.2700002E-02
 C    1.306400       1.699800      4.6200000E-02
 H   -2.611000     -0.9708000     -0.9360000    
 H   -1.180500       1.414400      5.1000002E-03
 H   -3.258500       1.243000      -1.723000    
 H   -4.574800      0.4515000     -0.8383000    
 H   -3.637300       1.747300     -7.2600000E-02
 H   -2.359700      -1.459300       1.542700    
 H   -4.031700      -1.119000       1.091000    
 H   -3.056600      0.1186000       1.897400    
 H   -1.116500      -2.286300     -0.2278000    
 H    3.309600     -6.7500003E-02  6.8800002E-02
 H   0.9070000      -3.613500     -0.1811000    
 H    3.132200      -2.528700     -3.5399999E-02
 H    1.226800       1.748500       2.156600    
 H    1.393100       3.298600       1.406300    


%chk=000079323-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079323

0 1
O 0.046469 2.523469 0.317828
N -1.379618 0.349991 -0.094675
N 2.268315 2.370217 0.873387
C -2.724501 -0.214455 -0.304822
C -0.212002 -0.373182 0.016075
C -3.635615 0.892290 -0.876172
C -3.313565 -0.807627 1.002143
C 1.052179 0.297766 0.273921
C -0.197652 -1.802937 -0.126882
C 2.242422 -0.481238 0.323015
C 0.997147 -2.530783 -0.059126
C 2.237670 -1.875967 0.159930
C 1.081312 1.771257 0.479726
H -2.655151 -1.024703 -1.060693
H -1.253721 1.376321 0.002433
H -3.238981 1.278096 -1.831885
H -4.653364 0.501517 -1.050995
H -3.712748 1.738008 -0.166897
H -2.636293 -1.560875 1.441937
H -4.289848 -1.289235 0.806935
H -3.462736 -0.006961 1.749168
H -1.136572 -2.334636 -0.302574
H 3.211481 0.010989 0.470061
H 0.968862 -3.619864 -0.181770
H 3.171514 -2.444894 0.197629
H 3.112245 1.852892 1.100774
H 2.254851 3.381442 0.995230


