%chk=000036293.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036293

0 1
 O   0.3353000      -1.694700      0.3310000    
 O    2.995500     -0.9910000      2.0600000E-02
 O   -2.587600       1.852500      9.2399999E-02
 N   -1.180300      5.5100001E-02  0.2192000    
 N    1.146200      0.4406000     -2.0300001E-02
 N   -1.398700       1.519300      4.1400000E-02
 N    3.278300       1.265700     -0.3023000    
 C   -2.342600     -0.7994000      0.4267000    
 C   -2.872200      -1.293400     -0.9059000    
 C   0.1156000     -0.4880000      0.1876000    
 C    2.510500      0.1333000     -9.0200000E-02
 H   -2.043100      -1.663100       1.031400    
 H   -3.117000     -0.2728000      0.9942000    
 H   -3.194200     -0.4608000      -1.539900    
 H   -2.107300      -1.853200      -1.454500    
 H   -3.731000      -1.954100     -0.7514000    
 H   0.9108000       1.420700     -0.1322000    
 H    2.860800       2.186000     -0.3912000    
 H    4.288500       1.208100     -0.3761000    


%chk=000036293-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036293

0 1
O 0.296375 -1.786894 0.350605
O 3.101580 -0.955804 0.002533
O -2.421217 1.918063 0.056958
N -1.169446 0.044287 0.231801
N 1.150224 0.408427 -0.004876
N -1.242343 1.427129 0.047256
N 3.268046 1.348937 -0.295727
C -2.365575 -0.811224 0.416496
C -2.939454 -1.309429 -0.926999
C 0.167749 -0.556241 0.198611
C 2.558651 0.169145 -0.090164
H -2.054126 -1.660853 1.044194
H -3.109758 -0.199920 0.955776
H -3.249587 -0.466399 -1.567624
H -2.196644 -1.920962 -1.466445
H -3.826433 -1.938048 -0.733105
H 0.776788 1.363860 -0.097333
H 2.843345 2.271366 -0.372116
H 4.279325 1.265359 -0.369340


