%chk=000168997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168997

0 1
 O  -0.4486000      -1.550100       1.308900    
 O   -3.066200      0.6938000     -0.9624000    
 O   0.1541000      -2.810100     -0.9393000    
 N    1.749200      0.9543000     -0.3106000    
 C   0.5166000      0.4522000      0.3103000    
 C  -0.6755000      0.7239000     -0.6366000    
 C   0.6964000      -1.041300      0.6419000    
 C   -2.037800      0.3300000     -4.5800000E-02
 C    2.885800      0.7449000      0.5820000    
 C    1.607300       2.369300     -0.6424000    
 C   -2.287100       1.041000       1.278600    
 C   0.9058000      -1.907800     -0.5845000    
 H   0.3443000      0.9910000       1.250700    
 H  -0.5370000      0.2152000      -1.599700    
 H  -0.7697000       1.787100     -0.8837000    
 H    1.526200      -1.220700       1.329900    
 H   -2.140900     -0.7489000      7.5700000E-02
 H    2.697100       1.103500       1.600600    
 H    3.769400       1.278300      0.2089000    
 H    3.203800     -0.3014000      0.6150000    
 H    1.206100       2.963600      0.1868000    
 H   0.9978000       2.522400      -1.538300    
 H    2.580400       2.801300     -0.9087000    
 H   -2.155000       2.123800       1.175100    
 H   -3.325700      0.8885000       1.593800    
 H   -1.643100      0.6823000       2.084800    
 H    1.822600      -1.698400      -1.161800    
 H  -0.2425000      -2.452600       1.607500    
 H   -2.891700      0.2304000      -1.799300    


%chk=000168997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168997

0 1
O -0.198045 -1.716356 1.477732
O -3.064505 0.877993 -0.871378
O -0.075608 -2.822318 -0.998713
N 1.879759 0.936627 -0.123658
C 0.579990 0.405849 0.398355
C -0.640537 0.798986 -0.469582
C 0.762355 -1.150647 0.546919
C -2.028474 0.328681 0.039878
C 2.865873 1.141743 0.961352
C 1.845696 2.104200 -1.029673
C -2.392626 0.849959 1.432328
C 0.701051 -1.849115 -0.798826
H 0.396257 0.777978 1.433110
H -0.500181 0.421115 -1.505303
H -0.697749 1.901514 -0.536698
H 1.788168 -1.315923 0.942483
H -2.084547 -0.778229 0.034220
H 2.605146 2.003627 1.623343
H 3.864786 1.328325 0.528338
H 2.938697 0.243323 1.599199
H 1.503651 3.048430 -0.539244
H 1.197989 1.913652 -1.899237
H 2.868919 2.276471 -1.410254
H -2.270825 1.947480 1.483131
H -3.448692 0.612754 1.645970
H -1.763755 0.370226 2.200380
H 1.381125 -1.456120 -1.585522
H -0.618367 -2.502725 1.025939
H -2.953451 0.467999 -1.767189


