%chk=000025278.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025278

1 1
 O   -3.171100       1.098800      0.5103000    
 O   -3.612300     -0.9594000       1.415300    
 N    2.254100       1.064800     -0.2813000    
 N    3.051600     -0.8048000      0.4428000    
 C   -1.053400      0.6762000     -0.4035000    
 C   -1.707500     -0.6584000     -6.2600002E-02
 C  -5.0999999E-02   1.094100      0.6760000    
 C   -2.237000       1.622600     -0.4399000    
 C   -2.137100      -1.442800      -1.294500    
 C   -2.923900     -0.2297000      0.7180000    
 C    1.300100      0.4607000      0.4646000    
 C  -0.9411000      -1.925700      -2.098100    
 C    1.770000     -0.7067000      0.9285000    
 C    3.334200      0.2769000     -0.2906000    
 C    2.162300       2.338000     -0.9675000    
 C    3.961900      -1.904600      0.6825000    
 H  -0.5502000      0.6906000      -1.374900    
 H   -1.076000      -1.276200      0.5839000    
 H  -0.4025000      0.8270000       1.680700    
 H   8.4700003E-02   2.181400      0.6827000    
 H   -1.983000       2.652300     -0.1715000    
 H   -2.723300       1.632800      -1.421500    
 H   -2.795000     -0.8465000      -1.938400    
 H   -2.725900      -2.314500     -0.9823000    
 H  -0.3948000      -1.102500      -2.565500    
 H  -0.2449000      -2.490500      -1.469700    
 H   -1.277800      -2.588500      -2.902300    
 H    1.393600      -1.502900       1.540100    
 H    4.265200      0.4771000     -0.7976000    
 H    3.057200       2.496500      -1.576100    
 H    1.287900       2.345900      -1.623000    
 H    2.089100       3.142600     -0.2309000    
 H    3.521100      -2.827700      0.2963000    
 H    4.913800      -1.721500      0.1766000    
 H    4.138100      -1.999000       1.757500    


%chk=000025278-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025278

1 1
O -3.044883 0.518060 1.104207
O -2.818652 -1.772236 1.470020
N 2.221769 0.749091 -0.481259
N 3.066043 -0.805152 0.846309
C -1.139715 0.879522 -0.332073
C -1.461834 -0.638454 -0.307630
C -0.021494 1.290257 0.683645
C -2.489177 1.498202 0.127990
C -2.066006 -1.194667 -1.632144
C -2.486768 -0.761334 0.839507
C 1.278370 0.550498 0.557551
C -1.031899 -1.288123 -2.773125
C 1.826042 -0.428265 1.381753
C 3.288325 -0.079336 -0.282984
C 2.085012 1.688264 -1.615370
C 3.982433 -1.814155 1.425270
H -0.881361 1.230446 -1.346800
H -0.584744 -1.260314 -0.050270
H -0.399963 1.119740 1.708541
H 0.154396 2.380761 0.598965
H -2.391998 2.457211 0.661115
H -3.205366 1.607487 -0.704166
H -2.924136 -0.570520 -1.949118
H -2.474026 -2.200642 -1.422058
H -0.630460 -0.295461 -3.056660
H -0.183530 -1.940130 -2.490627
H -1.493218 -1.718747 -3.678680
H 1.429633 -0.866733 2.292960
H 4.167787 -0.145597 -0.915932
H 3.074400 1.879637 -2.057010
H 1.419384 1.264659 -2.384824
H 1.671594 2.643203 -1.256654
H 3.468091 -2.785246 1.498329
H 4.865360 -1.923906 0.778369
H 4.307691 -1.491623 2.426956


