%chk=000100484.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100484

0 1
 O    2.985700     -0.6853000     -0.3154000    
 O    2.456200       1.416300      0.4345000    
 O   -3.641300     -0.7727000     -0.5261000    
 O   -3.145300       1.219700      0.2505000    
 N  -0.3872000      0.5137000     -4.7200002E-02
 N   -1.072600      -1.569800      0.3017000    
 N   -2.792100      5.0200000E-02 -7.7399999E-02
 C   0.7458000     -0.2262000      0.1427000    
 C   -1.453500     -0.3356000      5.7500001E-02
 C  -0.4423000       1.934100     -0.3103000    
 C   0.2974000      -1.508300      0.3566000    
 C    2.084500      0.2683000      0.1162000    
 C    4.364700     -0.3045000     -0.3832000    
 H  -0.6347000       2.452900      0.6316000    
 H   0.4985000       2.274400     -0.7461000    
 H   -1.226000       2.140500      -1.043400    
 H   0.8853000      -2.394500      0.5492000    
 H    4.727500     -2.5900001E-02  0.6106000    
 H    4.492700      0.5222000      -1.088000    
 H    4.938100      -1.164100     -0.7399000    


%chk=000100484-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100484

0 1
O 3.022929 -0.747556 -0.116761
O 2.471341 1.515466 -0.259362
O -3.745338 -0.924339 0.182204
O -3.165522 1.280570 -0.023471
N -0.425615 0.563508 -0.072650
N -1.048683 -1.640505 0.108779
N -2.878359 0.014154 0.067227
C 0.745086 -0.213325 -0.065566
C -1.470561 -0.355855 0.035106
C -0.497219 2.043333 -0.176538
C 0.324664 -1.560416 0.046592
C 2.118723 0.311509 -0.157973
C 4.455272 -0.368076 -0.202983
H -1.015255 2.453078 0.703348
H 0.529874 2.427624 -0.237981
H -1.072207 2.325931 -1.071141
H 0.957439 -2.442485 0.082513
H 4.721803 0.302489 0.630658
H 4.655763 0.141348 -1.160129
H 4.997263 -1.321053 -0.137770


