%chk=000111297.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111297

0 1
 O    1.406800      -1.414100       1.063600    
 O    2.144100       1.667200     -0.6270000    
 O    1.766900       1.195800       1.562700    
 N    2.954600      -1.017300     -0.6765000    
 C   0.5366000     -0.7653000      -1.092300    
 C    1.684000     -0.6099000     -7.5000003E-02
 C  -0.8229000     -0.3540000     -0.5685000    
 C   -1.621000      -1.298300      5.3100001E-02
 C   -1.237600      0.9571000     -0.7231000    
 C    1.861300      0.8247000      0.4003000    
 C   -2.873900     -0.9195000      0.5353000    
 C   -2.490300       1.336100     -0.2408000    
 C   -3.308500      0.3977000      0.3884000    
 H   0.7473000     -0.1925000      -2.006200    
 H   0.4707000      -1.814900      -1.413200    
 H   -1.292200      -2.326600      0.1721000    
 H  -0.6136000       1.695200      -1.217600    
 H    3.121500     -0.4813000      -1.527800    
 H    2.890500      -1.991700     -0.9694000    
 H   0.6378000      -1.042900       1.527400    
 H   -3.511000      -1.650100       1.025100    
 H   -2.829500       2.361300     -0.3566000    
 H   -4.284100      0.6927000      0.7636000    
 H    2.256400       2.592300     -0.3207000    


%chk=000111297-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111297

0 1
O 1.368172 -1.800120 0.774472
O 1.914147 1.670624 -0.315612
O 1.759860 0.741218 1.812208
N 2.975475 -0.965218 -0.758423
C 0.465378 -0.761683 -1.204719
C 1.640556 -0.741331 -0.177980
C -0.880145 -0.306962 -0.658009
C -1.615102 -1.113988 0.249864
C -1.420613 0.946484 -1.045327
C 1.750881 0.607088 0.572990
C -2.861240 -0.677899 0.751623
C -2.667920 1.384780 -0.544832
C -3.393529 0.571920 0.355749
H 0.763812 -0.123883 -2.055551
H 0.415310 -1.807504 -1.564519
H -1.193684 -2.073520 0.566046
H -0.858969 1.579445 -1.743513
H 3.302683 -0.239376 -1.402110
H 3.114635 -1.925089 -1.085233
H 1.847729 -1.593443 1.620331
H -3.417654 -1.311948 1.451475
H -3.072963 2.354074 -0.857823
H -4.361899 0.907257 0.744288
H 2.018978 2.520773 0.191504


