%chk=000031062.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031062

0 1
 O   -4.287000      0.7243000      -1.911300    
 O  -0.2816000      4.1600000E-02 -0.1681000    
 O   7.3600002E-02   2.171400      0.6302000    
 O    4.067200      -2.174300      0.4090000    
 O    5.935900     -0.1784000     -8.8000000E-02
 N   -3.916000      -1.030400       1.213600    
 C   -3.886600      -1.066400     -0.2619000    
 C   -3.649400      0.3914000       1.505700    
 C   -4.694600      0.1734000     -0.6733000    
 C   -4.477200       1.168900      0.4713000    
 C   -2.396900      -1.009000     -0.6607000    
 C   -2.136400      0.5947000       1.296000    
 C   -1.689200      0.2465000     -0.1313000    
 C   -5.181900      -1.495200       1.774000    
 C   -4.482600     -0.1889000      -2.985500    
 C   0.4850000       1.089400      0.2411000    
 C    1.927800      0.7501000      0.1539000    
 C    2.315800     -0.5632000      0.3233000    
 C    2.836200       1.759000     -9.3199998E-02
 C    3.671400     -0.8816000      0.2420000    
 C    4.191800       1.440600     -0.1743000    
 C    4.609400      0.1203000     -6.6000000E-03
 C    4.135700      -2.987400     -0.7608000    
 C    6.829400      0.9032000     -0.3450000    
 H   -4.320700      -1.991700     -0.6585000    
 H   -3.907800      0.6697000       2.533700    
 H   -5.765500     -6.3299999E-02 -0.7293000    
 H   -5.449500       1.436100      0.9029000    
 H   -3.993300       2.096900      0.1491000    
 H   -1.890100      -1.897800     -0.2570000    
 H   -2.238400      -1.077300      -1.740700    
 H   -1.917800       1.638400       1.541200    
 H   -1.577900     -1.1800000E-02   2.022400    
 H   -1.922900       1.082400     -0.8028000    
 H   -6.053100     -0.9184000       1.447800    
 H   -5.142600      -1.454300       2.868100    
 H   -5.349400      -2.544100       1.505700    
 H   -5.555100     -0.3461000      -3.141100    
 H   -3.997900      -1.156000      -2.848500    
 H   -4.075700      0.2687000      -3.891900    
 H    1.601100      -1.354400      0.5322000    
 H    2.521600       2.789700     -0.2285000    
 H    4.863100       2.269500     -0.3709000    
 H    4.472600      -3.984800     -0.4655000    
 H    4.852800      -2.573400      -1.476800    
 H    3.148400      -3.074500      -1.225200    
 H    6.815400       1.639700      0.4657000    
 H    6.642400       1.357100      -1.324200    
 H    7.840900      0.4848000     -0.3768000    


%chk=000031062-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031062

0 1
O -4.269312 0.708982 -1.901149
O -0.381252 -0.037535 -0.002085
O 0.005011 2.262311 -0.163327
O 4.024000 -2.317337 0.058979
O 6.003715 -0.293798 -0.115107
N -4.152639 -0.997046 1.394315
C -4.029532 -1.114418 -0.092539
C -3.828790 0.456880 1.606154
C -4.796314 0.156924 -0.646582
C -4.626722 1.213118 0.485235
C -2.518399 -1.097361 -0.442249
C -2.296309 0.619858 1.451829
C -1.860209 0.211732 0.028008
C -5.463129 -1.414766 1.944494
C -4.631874 -0.084680 -3.074653
C 0.445702 1.084120 -0.101240
C 1.887540 0.712665 -0.126207
C 2.320215 -0.636845 -0.066571
C 2.849304 1.747607 -0.216667
C 3.688630 -0.960311 -0.087140
C 4.222912 1.440309 -0.231390
C 4.657651 0.093523 -0.154005
C 4.949639 -2.908338 -0.929702
C 7.019436 0.764659 -0.092476
H -4.481461 -2.062031 -0.434660
H -4.134289 0.764836 2.620985
H -5.867771 -0.099154 -0.800273
H -5.606788 1.556207 0.858704
H -4.089146 2.094561 0.095969
H -2.047219 -1.951337 0.076303
H -2.358743 -1.219024 -1.528509
H -1.990243 1.662605 1.649429
H -1.802255 -0.041002 2.186798
H -2.072340 1.027717 -0.684065
H -6.341920 -0.828486 1.581201
H -5.433200 -1.329528 3.045401
H -5.636136 -2.477026 1.695209
H -5.734700 -0.186888 -3.165826
H -4.181156 -1.098876 -3.050677
H -4.241860 0.463834 -3.946584
H 1.592465 -1.448623 0.002393
H 2.502981 2.784444 -0.269676
H 4.952880 2.252959 -0.289692
H 5.000732 -3.975081 -0.663496
H 5.947414 -2.444405 -0.866784
H 4.542736 -2.796796 -1.953665
H 6.885607 1.424924 0.785234
H 6.995340 1.366114 -1.021356
H 7.980196 0.234908 -0.017087


