%chk=000043776.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043776

0 1
 O    1.431100      0.4572000     -0.5424000    
 O   -2.560700     -0.6243000     -0.3642000    
 N  -0.8023000      0.2552000      0.3983000    
 N   -1.397000     -0.3061000     -0.6365000    
 C   0.6362000     -9.3500003E-02  0.5200000    
 C   0.8357000      -1.615100      0.5662000    
 C  -0.9653000       1.717100      0.4476000    
 C    2.822200      0.2094000     -0.3890000    
 H   0.9963000      0.3184000       1.472500    
 H    1.837000      -1.869500      0.9305000    
 H   0.7307000      -2.073000     -0.4238000    
 H   0.1262000      -2.087900       1.254700    
 H   -2.027800       1.988400      0.4804000    
 H  -0.5146000       2.219500     -0.4168000    
 H  -0.5148000       2.125600       1.359600    
 H    3.159000      0.4408000      0.6261000    
 H    3.357800      0.8621000      -1.084500    
 H    3.066300     -0.8233000     -0.6524000    


%chk=000043776-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043776

0 1
O 1.547771 0.375155 -0.545505
O -2.772001 -0.080580 -0.456523
N -0.667458 0.276278 0.212940
N -1.629970 -0.622901 -0.217761
C 0.677555 -0.241604 0.482060
C 0.755846 -1.773137 0.468741
C -0.946926 1.721363 0.302760
C 2.968700 0.368690 -0.187528
H 0.997197 0.150015 1.476783
H 1.784132 -2.082714 0.724620
H 0.496808 -2.166875 -0.525457
H 0.064414 -2.213513 1.206028
H -1.564450 1.949062 1.191075
H -1.513597 2.036781 -0.589598
H 0.011763 2.257573 0.343582
H 3.137972 0.815137 0.816277
H 3.469838 0.984824 -0.949918
H 3.398404 -0.652555 -0.206275


