%chk=000008819.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008819

0 1
 O    3.395800     -0.5253000      0.4006000    
 O   -3.389600     -0.5268000     -0.4061000    
 N    1.445500      0.1228000      4.6700001E-02
 N   -1.447000      0.1403000     -4.5400001E-02
 N    2.689100      0.1320000     -0.3700000    
 N   -2.690700      0.1311000      0.3710000    
 C   0.7071000       1.337100     -0.3143000    
 C   0.6917000      -1.085000     -0.3103000    
 C  -0.6932000       1.347900      0.3118000    
 C  -0.7086000      -1.074000      0.3160000    
 H   0.6191000       1.428400      -1.406600    
 H    1.242100       2.228100      4.0899999E-02
 H    1.211000      -1.984700      4.6100002E-02
 H   0.6031000      -1.176900      -1.402300    
 H  -0.6057000       1.441400       1.403800    
 H   -1.219600       2.242300     -4.7100000E-02
 H   -1.235500      -1.971500     -3.5700001E-02
 H  -0.6195000      -1.162900       1.408500    


%chk=000008819-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008819

0 1
O 3.263858 -0.866603 0.446519
O -3.268551 -0.849531 -0.444201
N 1.372829 0.160867 -0.227364
N -1.372853 0.169825 0.228053
N 2.681527 0.259494 0.236470
N -2.680862 0.274200 -0.236361
C 0.648128 1.423716 -0.433821
C 0.645776 -1.112979 -0.419372
C -0.640701 1.429254 0.429399
C -0.653428 -1.107468 0.425275
H 0.379030 1.530012 -1.502354
H 1.322891 2.247093 -0.146744
H 1.324829 -1.925930 -0.107698
H 0.403370 -1.235859 -1.491533
H -0.371102 1.538122 1.497543
H -1.310695 2.255372 0.139047
H -1.337259 -1.917670 0.116858
H -0.411688 -1.227615 1.497883


