%chk=000049930.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049930

0 1
 O   0.7671000      0.2386000     -0.2644000    
 O    2.442000     -0.7768000      0.9596000    
 O   -2.664700      -1.340600     -0.3662000    
 N   -1.582200      0.3022000      0.3958000    
 N   -2.148200     -0.2545000     -0.6546000    
 C  -0.2205000     -0.1836000      0.6994000    
 C   -1.596500       1.765700      0.3243000    
 C    2.053100     -0.1299000     -3.3000000E-03
 C    2.950000      0.3789000      -1.090600    
 H  -0.2118000      -1.280500      0.7581000    
 H   7.3399998E-02  0.1917000       1.688500    
 H   -2.623800       2.140400      0.2320000    
 H   -1.017800       2.153900     -0.5230000    
 H   -1.191900       2.201700       1.245200    
 H    2.657200     -5.9099998E-02  -2.048200    
 H    2.898300       1.469800      -1.133900    
 H    3.982100      8.8000000E-02 -0.8753000    


%chk=000049930-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049930

0 1
O 0.818361 -0.533616 -0.425312
O 1.859503 1.146957 0.820725
O -2.422132 -1.074081 -1.075521
N -1.346235 0.428904 0.231079
N -2.432557 0.116758 -0.609120
C -0.319178 -0.545838 0.551020
C -1.351720 1.793748 0.782995
C 1.869233 0.361937 -0.153977
C 2.960053 0.211692 -1.188066
H -0.740752 -1.555302 0.433619
H 0.074265 -0.346598 1.560705
H -2.208767 2.322974 0.337568
H -0.412979 2.316422 0.539156
H -1.465345 1.773183 1.882134
H 3.416458 -0.790678 -1.110102
H 2.537106 0.299585 -2.202965
H 3.730484 0.979853 -1.030537


