%chk=000042016.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042016

0 1
 O  -0.7609000      0.2717000     -0.2534000    
 O   -2.430700     -0.7246000      0.9932000    
 O    2.560100      -1.426400     -0.3238000    
 N    1.596700      0.3141000      0.3785000    
 N    2.097300     -0.3285000     -0.6558000    
 C   0.2200000     -7.5199999E-02  0.7467000    
 C    1.691500       1.768800      0.2283000    
 C   -2.041500     -0.1170000      5.1000002E-03
 C   -2.932600      0.3170000      -1.118800    
 H  -5.3599998E-02  0.4176000       1.688800    
 H   0.1759000      -1.157800      0.9281000    
 H    2.733300       2.077800      7.5300001E-02
 H    1.351600       2.274600       1.139600    
 H    1.099100       2.145200     -0.6149000    
 H   -2.915200       1.406300      -1.206400    
 H   -2.607100     -0.1499000      -2.051800    
 H   -3.958800      6.0000003E-04 -0.9109000    


%chk=000042016-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042016

0 1
O -0.814719 -0.538758 -0.371031
O -1.828399 1.250247 0.739560
O 2.411736 -1.210722 -0.954444
N 1.369570 0.417824 0.222006
N 2.450141 0.013117 -0.584572
C 0.316087 -0.501895 0.611964
C 1.405637 1.822834 0.660656
C -1.848379 0.396093 -0.174812
C -2.935419 0.191277 -1.203249
H -0.077876 -0.211349 1.599084
H 0.712152 -1.527833 0.579731
H 2.276601 2.293437 0.177995
H 1.514739 1.889791 1.758363
H 0.480736 2.346079 0.369446
H -2.505537 0.201221 -2.219039
H -3.407168 -0.796759 -1.059773
H -3.694802 0.979695 -1.104085


