%chk=000081114.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081114

0 1
 O   -1.086500      -1.916700       1.074200    
 O  -0.4591000      -2.572400      -1.009800    
 N   -2.994700       1.493600      0.8496000    
 C   0.1092000      0.6209000     -0.4780000    
 C   0.5308000     -0.6293000     -2.5500000E-02
 C   -1.267900      0.8210000      -1.021400    
 C   0.9786000       1.710400     -0.4276000    
 C    1.821800     -0.7900000      0.4778000    
 C    2.269600       1.549700      7.5599998E-02
 C    2.691200      0.2996000      0.5284000    
 C  -0.3565000      -1.783800     -6.6100001E-02
 C   -2.236600       1.197100      2.2700001E-02
 H   -1.617100     -7.0799999E-02  -1.554400    
 H   -1.246600       1.607000      -1.788000    
 H   0.6644000       2.691100     -0.7751000    
 H    2.161900      -1.759200      0.8336000    
 H    2.946600       2.398100      0.1154000    
 H    3.696400      0.1747000      0.9204000    
 H   -1.681600      -2.695800       1.037800    


%chk=000081114-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081114

0 1
O -0.095793 -2.782265 0.904919
O -1.650777 -1.798563 -0.492746
N -3.107585 1.691884 0.624069
C 0.078347 0.666490 -0.539954
C 0.406658 -0.574486 0.091573
C -1.284624 0.953495 -1.182043
C 1.048114 1.696723 -0.547724
C 1.683710 -0.741156 0.695246
C 2.315489 1.522174 0.049480
C 2.634342 0.296713 0.676638
C -0.551911 -1.716932 0.112178
C -2.295801 1.356138 -0.183023
H -1.671554 0.061865 -1.704034
H -1.181591 1.773977 -1.915674
H 0.801581 2.652874 -1.023389
H 1.912036 -1.696158 1.174575
H 3.045613 2.338353 0.027518
H 3.613006 0.152244 1.145531
H -0.775360 -3.508171 0.876460


