%chk=000012967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012967

0 1
 O    1.942200       1.021600     -0.2119000    
 O   -2.025700      -1.310300     -9.0599999E-02
 N  -9.7599998E-02 -8.5600004E-02 -0.1730000    
 N  -0.8024000      -1.376100      7.2400004E-02
 N    1.924500      -1.180500      0.3490000    
 C  -0.8851000       1.076200     -0.5638000    
 C   -1.347200       1.865200      0.6440000    
 C    1.291300     -1.0600000E-02 -2.6100000E-02
 H  -0.2582000       1.725700      -1.186100    
 H   -1.733000      0.7745000      -1.187900    
 H   -1.989800       1.259400       1.291200    
 H  -0.4962000       2.204500       1.244100    
 H   -1.914800       2.746300      0.3292000    
 H    1.441000      -2.055500      0.5151000    
 H    2.931400      -1.199800      0.4745000    


%chk=000012967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012967

0 1
O 1.943861 1.050927 -0.238090
O -1.971412 -1.364247 -0.054556
N -0.105217 -0.102960 -0.186877
N -0.699105 -1.343694 0.068376
N 1.918896 -1.219461 0.345201
C -0.879714 1.101339 -0.567604
C -1.376166 1.890971 0.661830
C 1.338795 -0.033438 -0.030257
H -0.213770 1.723664 -1.185644
H -1.733294 0.749491 -1.172878
H -2.037735 1.273574 1.293046
H -0.525171 2.245480 1.267885
H -1.948557 2.772680 0.323189
H 1.341270 -2.049247 0.486460
H 2.927720 -1.240078 0.470020


