%chk=000048775.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048775

0 1
 O   0.4513000       2.051900      0.8575000    
 O   -1.815400      -1.979200       1.068900    
 O    2.302400      -1.819700     -0.9218000    
 N    1.363300      0.1978000     -0.2148000    
 N   0.2186000      -1.858300      1.5100000E-02
 C   -1.029300      0.2065000      0.3784000    
 C   -1.669600      0.4678000     -0.9970000    
 C   0.3226000      0.9175000      0.3940000    
 C   -1.937500      0.7893000       1.472800    
 C  -0.9281000      -1.299700      0.5548000    
 C   -3.041000     -0.1914000      -1.073700    
 C   -1.769800       1.966000      -1.255600    
 C    1.360000      -1.194200     -0.4288000    
 C    2.600800      0.9123000     -0.5047000    
 C    3.571900      0.8333000      0.6550000    
 H   -1.048300      3.4600001E-02  -1.792600    
 H   -2.918900      0.3108000       1.538600    
 H   -1.468800      0.6207000       2.452300    
 H   -2.081900       1.870900       1.404000    
 H   -3.768600      0.2257000     -0.3725000    
 H   -3.462800     -2.0400001E-02  -2.072600    
 H   -3.008800      -1.277000     -0.9550000    
 H   -2.422800       2.491000     -0.5540000    
 H   -2.208800       2.128800      -2.248400    
 H  -0.7980000       2.465600      -1.282000    
 H   0.2557000      -2.873600     -8.8999998E-03
 H    3.064600      0.4852000      -1.400900    
 H    2.373200       1.962000     -0.7227000    
 H    3.141600       1.267600       1.563300    
 H    3.842300     -0.2035000      0.8798000    
 H    4.490500       1.379600      0.4197000    


%chk=000048775-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048775

0 1
O 0.479266 2.055014 0.889096
O -1.784631 -2.082453 1.104692
O 2.320132 -1.777492 -1.027036
N 1.367569 0.211571 -0.213096
N 0.219500 -1.871403 -0.029495
C -1.069679 0.195824 0.445953
C -1.725826 0.459017 -1.005320
C 0.304277 0.893813 0.436298
C -1.935254 0.749513 1.595684
C -0.928774 -1.327604 0.575906
C -3.150688 -0.135171 -1.106298
C -1.746430 1.958514 -1.384319
C 1.360645 -1.175794 -0.478324
C 2.638299 0.950534 -0.478506
C 3.628450 0.853176 0.696811
H -1.078829 -0.068385 -1.737356
H -2.880490 0.189807 1.660743
H -1.410347 0.642566 2.560314
H -2.138505 1.820656 1.446719
H -3.863965 0.433834 -0.483844
H -3.497385 -0.069891 -2.153758
H -3.196108 -1.192538 -0.795228
H -2.362256 2.545096 -0.679822
H -2.193578 2.067927 -2.389240
H -0.740725 2.411052 -1.409779
H 0.279274 -2.892953 -0.092197
H 3.074562 0.516762 -1.392878
H 2.359147 2.000605 -0.661975
H 3.191734 1.284525 1.613263
H 3.914118 -0.195831 0.886318
H 4.546895 1.417608 0.454871


