%chk=000033006.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033006

0 1
 O    1.696100      -2.358900     -0.3311000    
 O    3.383900       1.248200      0.7035000    
 N    1.631800     -1.3800000E-02 -0.2836000    
 C   -2.164100      8.7200001E-02 -0.6425000    
 C  -0.7904000      5.1700000E-02  3.6699999E-02
 C   -3.292000      4.9999999E-03  0.3893000    
 C   0.3619000      6.5800004E-02 -0.9643000    
 C   -4.688300      5.7000001E-03 -0.2366000    
 C   -5.810000     -0.1467000      0.7792000    
 C    2.218500      -1.286700     -1.2400000E-02
 C    2.301100       1.182100      0.1185000    
 C    3.543000      -1.311300      0.7095000    
 C    1.608600       2.471800     -0.2660000    
 H   -2.263100       1.010700      -1.225200    
 H   -2.248700     -0.7513000      -1.344200    
 H  -0.7101000      0.8901000      0.7370000    
 H  -0.7207000     -0.8570000      0.6492000    
 H   -3.210600      0.8485000       1.086000    
 H   -3.169400     -0.9090000      0.9839000    
 H   0.2985000      0.9395000      -1.617200    
 H   0.2658000     -0.8066000      -1.622400    
 H   -4.835600      0.9391000     -0.7929000    
 H   -4.760500     -0.8119000     -0.9637000    
 H   -5.716500      -1.090900       1.325100    
 H   -5.792700      0.6727000       1.504700    
 H   -6.782300     -0.1377000      0.2769000    
 H    3.451700     -0.8794000       1.709000    
 H    3.848200      -2.355500      0.8419000    
 H    4.321500     -0.8276000      0.1146000    
 H    1.629800       2.604800      -1.350800    
 H    2.156200       3.310100      0.1783000    
 H   0.5884000       2.521200      0.1141000    


%chk=000033006-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033006

0 1
O 1.553078 -2.255669 -0.300114
O 3.478015 1.323587 0.680216
N 1.719291 0.062925 -0.262416
C -2.167150 0.018629 -0.584428
C -0.787120 0.000500 0.109831
C -3.343206 -0.054200 0.415402
C 0.370659 0.068878 -0.909773
C -4.728075 -0.031718 -0.270749
C -5.897810 -0.101624 0.734464
C 2.249414 -1.250053 0.015860
C 2.362448 1.284027 0.089942
C 3.610691 -1.402374 0.661366
C 1.648255 2.579534 -0.293553
H -2.265741 0.940270 -1.196820
H -2.233761 -0.835189 -1.289974
H -0.719805 0.848736 0.821355
H -0.680154 -0.927903 0.701331
H -3.275082 0.794492 1.127974
H -3.250609 -0.978256 1.022763
H 0.282013 0.966565 -1.542758
H 0.324136 -0.818195 -1.563159
H -4.818122 0.890572 -0.880645
H -4.796600 -0.881451 -0.980163
H -5.850368 -1.030127 1.334163
H -5.868181 0.752415 1.437379
H -6.876049 -0.081749 0.220039
H 3.638295 -0.936053 1.660212
H 3.816918 -2.481270 0.735320
H 4.398092 -0.896600 0.078411
H 1.645510 2.725093 -1.389682
H 2.208503 3.406830 0.165967
H 0.602514 2.609276 0.056740


