%chk=000041784.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041784

0 1
 O   -3.417900       1.420400      0.4076000    
 O    3.827400       1.537000     -8.3700001E-02
 O    4.176400     -0.5019000     -0.8314000    
 N   -2.850700     -0.7725000     -0.1325000    
 N    3.432800      0.3705000     -0.3222000    
 C  -0.5382000     -0.6561000      0.6246000    
 C   -1.945000      -1.019400      0.9608000    
 C  -7.1699999E-02  0.6336000      0.8788000    
 C   0.3111000      -1.605800      5.6800000E-02
 C    2.093500      2.4100000E-02 -2.9000000E-03
 C    1.244200      0.9737000      0.5649000    
 C    1.627100      -1.265600     -0.2569000    
 C   -3.512400      0.4322000     -0.3158000    
 C   -4.376600      0.4299000      -1.548200    
 H   -2.019400      -2.083300       1.213800    
 H   -2.283300     -0.4635000       1.843600    
 H  -0.7210000       1.382700       1.323700    
 H  -4.1099999E-02  -2.613400     -0.1476000    
 H   -2.984700      -1.516800     -0.8110000    
 H    1.572800       1.987800      0.7776000    
 H    2.259600      -2.031300     -0.6987000    
 H   -5.053300       1.288600      -1.524700    
 H   -3.742600      0.4943000      -2.436700    
 H   -4.974700     -0.4848000      -1.592600    


%chk=000041784-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041784

0 1
O -4.019912 0.725767 1.140667
O 3.952692 1.494533 -0.509408
O 4.555421 -0.659476 -0.060185
N -2.828315 -0.573205 -0.376161
N 3.671285 0.272448 -0.199126
C -0.455919 -0.755751 0.399333
C -1.916614 -1.114529 0.641661
C -0.086973 0.575288 0.067437
C 0.557034 -1.739582 0.531578
C 2.246790 -0.082194 0.009721
C 1.262001 0.922169 -0.128534
C 1.914210 -1.413093 0.340484
C -3.847308 0.316326 -0.047174
C -4.736185 0.757069 -1.204328
H -2.029487 -2.213311 0.713378
H -2.266103 -0.680708 1.600087
H -0.866154 1.338575 -0.029406
H 0.282212 -2.769840 0.785867
H -2.715120 -0.872707 -1.345728
H 1.567254 1.941590 -0.378624
H 2.708924 -2.157370 0.436919
H -5.771341 0.427351 -1.008524
H -4.749924 1.859214 -1.248788
H -4.416167 0.361837 -2.183847


