%chk=000083173.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083173

0 1
 O   -1.047800      -1.555800      0.6278000    
 O    6.024400      0.7944000     -0.5380000    
 O    5.602600      -1.315200     -0.9746000    
 N  -0.1050000      0.5718000      0.9408000    
 N    5.234100     -0.1789000     -0.5904000    
 C   -2.435300      0.2401000       1.439400    
 C   -3.543600      0.1704000      0.4436000    
 C    1.243100      0.3822000      0.5541000    
 C   -1.125800     -0.3754000      0.9528000    
 C   -3.726200       1.208000     -0.4706000    
 C   -4.397900     -0.9320000      0.4270000    
 C    2.120500       1.452300      0.6096000    
 C    1.656200     -0.8693000      0.1285000    
 C    3.881600      1.1300000E-02 -0.2025000    
 C    3.449200       1.265500      0.2285000    
 C    2.985000      -1.056100     -0.2525000    
 C   -4.763000       1.143100      -1.401500    
 C   -5.434800     -0.9971000     -0.5039000    
 C   -5.617200      4.0600002E-02  -1.418100    
 H   -2.716900     -0.2956000       2.355800    
 H   -2.295400       1.280900       1.756600    
 H  -0.3311000       1.518100       1.238500    
 H   -3.065800       2.071200     -0.4689000    
 H   -4.265700      -1.747900       1.132700    
 H    1.793800       2.433100      0.9438000    
 H    1.025000      -1.742900      6.1900001E-02
 H    4.119400       2.119800      0.2803000    
 H    3.287700      -2.046600     -0.5832000    
 H   -4.904800       1.950600      -2.113700    
 H   -6.099700      -1.855700     -0.5173000    
 H   -6.424300     -1.0100000E-02  -2.143100    


%chk=000083173-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083173

0 1
O -0.579208 -0.994549 2.917127
O 5.202735 0.517766 -1.925280
O 5.816820 -0.258763 0.131788
N -0.580827 -0.192692 0.707833
N 4.923767 0.095505 -0.733848
C -2.748448 -0.538158 1.876034
C -3.400413 0.051470 0.636706
C 0.799110 -0.141333 0.404274
C -1.201715 -0.596236 1.892406
C -3.640296 1.448533 0.539361
C -3.762875 -0.776970 -0.459068
C 1.163624 0.319445 -0.894930
C 1.812971 -0.525047 1.329103
C 3.503641 0.014145 -0.342153
C 2.510960 0.398911 -1.272806
C 3.163801 -0.444975 0.949938
C -4.225539 2.003110 -0.621183
C -4.348650 -0.225185 -1.621475
C -4.580476 1.167468 -1.706281
H -3.087033 -1.577336 2.046095
H -3.031887 0.025895 2.783238
H -1.220716 0.109678 -0.035189
H -3.374378 2.100819 1.380259
H -3.595320 -1.859317 -0.395566
H 0.383045 0.615134 -1.606164
H 1.525355 -0.876029 2.321149
H 2.810491 0.749036 -2.263682
H 3.960825 -0.733105 1.640467
H -4.409475 3.081641 -0.676687
H -4.628871 -0.880010 -2.453843
H -5.038720 1.595948 -2.604223


