%chk=000002080.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002080

0 1
 O   -2.651100       2.430800     -0.5612000    
 O   -1.345600     -0.9797000       1.615100    
 O   -1.007800       3.663900      0.3818000    
 N   -1.353300      0.1643000     -0.4033000    
 N   -3.361800      -2.611400      0.6779000    
 C  -0.5876000       1.306600      3.8699999E-02
 C   0.6885000       1.473800     -0.7965000    
 C    1.784600      0.5163000     -0.3954000    
 C   -2.472700      -1.973500     -0.2896000    
 C   -1.672300     -0.8972000      0.4329000    
 C   -1.418200       2.580300     -2.0700000E-02
 C    2.692400      0.8940000      0.5813000    
 C    1.862900     -0.7231000      -1.010700    
 C   -1.535400      -3.005300     -0.9047000    
 C    3.705100      9.3999999E-03  0.9522000    
 C    2.875600      -1.607700     -0.6395000    
 C    3.796700      -1.241400      0.3419000    
 H  -0.3365000       1.172000       1.098100    
 H   0.4670000       1.354100      -1.866100    
 H    1.078400       2.496500     -0.7039000    
 H   -1.691500      0.1629000      -1.361400    
 H   -3.086800      -1.520400      -1.075500    
 H    2.627600       1.864800       1.064300    
 H    1.153500      -1.016100      -1.778800    
 H   -2.098100      -3.811700      -1.387300    
 H  -0.8749000      -3.450800     -0.1517000    
 H  -0.8972000      -2.542200      -1.664700    
 H    4.421800      0.2942000       1.717000    
 H    2.947200      -2.581500      -1.115100    
 H   -3.958200      -1.910500       1.115700    
 H   -2.817600      -3.039900       1.425600    
 H    4.585100      -1.930200      0.6308000    
 H   -3.147600       3.276600     -0.5818000    


%chk=000002080-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002080

0 1
O -2.533044 2.431814 -1.280760
O -1.252024 -0.558943 1.868316
O -1.354823 3.863864 0.120498
N -1.341754 0.229932 -0.322802
N -3.312350 -2.500377 1.100544
C -0.672902 1.493523 -0.019329
C 0.693881 1.673422 -0.762714
C 1.680067 0.527729 -0.565568
C -2.275348 -2.026200 0.166184
C -1.587903 -0.723272 0.653227
C -1.533879 2.716586 -0.335829
C 1.871891 -0.095270 0.694853
C 2.472820 0.099237 -1.660964
C -1.191586 -3.116674 -0.005559
C 2.838687 -1.112893 0.852949
C 3.442647 -0.916890 -1.504801
C 3.630324 -1.526697 -0.243459
H -0.500559 1.493780 1.072634
H 0.499390 1.809480 -1.844531
H 1.131991 2.623574 -0.397886
H -1.699743 0.088110 -1.268807
H -2.758955 -1.843425 -0.814588
H 1.256249 0.190730 1.555109
H 2.332380 0.567436 -2.643686
H -1.665512 -4.046912 -0.360500
H -0.702166 -3.315715 0.965217
H -0.410624 -2.804238 -0.721498
H 2.969306 -1.585095 1.833025
H 4.046567 -1.231504 -2.363527
H -4.120314 -1.868350 1.162434
H -2.918424 -2.666221 2.036346
H 4.379677 -2.316151 -0.117389
H -3.041768 3.263510 -1.481743


