%chk=000051110.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051110

0 1
 O   -2.661900      0.4220000     -0.6495000    
 O   -1.964800     -0.9801000       1.032200    
 O    3.457200     -0.8888000     -0.6859000    
 N    1.892300      0.3918000     -9.2500001E-02
 N  -0.4611000      5.5300001E-02 -0.3953000    
 N    3.037100     -0.1742000      0.2323000    
 C   0.7536000     -0.4953000      0.1796000    
 C    1.689800       1.701500      0.5510000    
 C   -1.719600     -0.2378000      8.6700000E-02
 C   -4.022400      0.2057000     -0.2586000    
 H   0.6052000     -0.6666000       1.254000    
 H   0.8852000      -1.474100     -0.2997000    
 H  -0.3821000      0.6469000      -1.216500    
 H    1.578400       1.613500       1.638900    
 H   0.8093000       2.216300      0.1515000    
 H    2.541800       2.363500      0.3506000    
 H   -4.664100      0.7879000     -0.9253000    
 H   -4.180100      0.5484000      0.7684000    
 H   -4.281000     -0.8528000     -0.3579000    


%chk=000051110-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051110

0 1
O -2.555233 -0.206372 -0.941238
O -1.687110 0.346602 1.181010
O 2.241211 -0.153232 -1.849968
N 1.641367 0.520267 0.199117
N -0.388144 -0.706986 -0.467957
N 2.364427 0.769455 -0.951139
C 0.830743 -0.721087 0.326858
C 1.665366 1.554572 1.244639
C -1.547177 -0.143853 0.028481
C -3.856691 0.358844 -0.524529
H 0.565783 -0.826000 1.389778
H 1.457956 -1.563645 -0.007553
H -0.339204 -0.968418 -1.453733
H 2.135821 1.170960 2.168513
H 0.637725 1.882740 1.478085
H 2.255610 2.402029 0.861849
H -4.508140 0.230659 -1.400253
H -3.748470 1.425447 -0.264887
H -4.253040 -0.188882 0.346927


