%chk=000017796.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017796

0 1
 O   -1.738600       2.731200     -0.5116000    
 O   0.2589000       2.141500      0.1820000    
 N  -0.9344000       1.869700     -8.6400002E-02
 N    4.279100      0.2278000      0.9565000    
 N    1.638100      -1.105500      -2.387500    
 C  -0.5441000     -0.4672000      0.5701000    
 C   -1.392900      0.5345000      9.8999999E-02
 C   -1.025100      -1.765400      0.7413000    
 C   -2.722600      0.2379000     -0.2009000    
 C   -2.354800      -2.061700      0.4414000    
 C   -3.203500      -1.060100     -2.9700000E-02
 C   0.8524000     -0.2004000      0.8963000    
 C    1.911900     -0.3155000      6.1700001E-02
 C    3.217100     -1.5799999E-02  0.5566000    
 C    1.758500     -0.7509000      -1.289000    
 H  -0.3783000      -2.558900       1.108300    
 H   -3.416900      0.9885000     -0.5701000    
 H   -2.729400      -3.072300      0.5748000    
 H   -4.238700      -1.291500     -0.2630000    
 H    1.011400      0.1141000       1.927900    


%chk=000017796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017796

0 1
O -2.246314 2.965366 0.262785
O -0.019798 2.517870 0.106015
N -1.256547 2.143207 0.195047
N 4.411762 0.159295 0.984497
N 2.005618 -2.504636 -1.636372
C -0.508779 -0.280366 0.334265
C -1.554166 0.686192 0.202311
C -0.896475 -1.648759 0.263446
C -2.904168 0.319665 0.020819
C -2.240051 -2.027435 0.069855
C -3.249622 -1.043995 -0.047922
C 0.890197 0.079842 0.629307
C 2.015943 -0.569799 0.157024
C 3.324798 -0.168894 0.609806
C 1.992869 -1.627784 -0.822960
H -0.137006 -2.423858 0.397393
H -3.653395 1.109132 -0.078371
H -2.497870 -3.089930 0.020277
H -4.293555 -1.335456 -0.197160
H 1.064662 0.920342 1.307639


