%chk=000088363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088363

0 1
 O   -1.265500      0.5606000      0.3163000    
 O   -3.409400     -7.9200000E-02 -0.2590000    
 N    1.237600      -1.426000     -9.4700001E-02
 N    2.920400       1.743400      -1.212400    
 C   0.5180000     -0.9393000       1.099400    
 C  -0.9440000     -0.7768000      0.6601000    
 C    1.179800      0.2471000       1.806700    
 C   0.2770000      -2.325600     -0.7505000    
 C   -1.092800      -1.684000     -0.5608000    
 C    1.659300     -0.3498000      -1.005100    
 C    2.501100      0.7025000     -0.2751000    
 C    1.696300       1.329200      0.8633000    
 C   -2.541300      0.7738000     -0.1327000    
 C   -2.736500       2.224200     -0.4555000    
 H   0.5321000      -1.772000       1.818500    
 H   -1.606400      -1.097900       1.474200    
 H    2.037900     -0.1325000       2.378000    
 H   0.4923000      0.6867000       2.538700    
 H   0.3018000      -3.296500     -0.2399000    
 H   0.5087000      -2.518000      -1.804000    
 H   -1.361200      -1.133700      -1.469500    
 H   -1.851800      -2.455700     -0.3932000    
 H   0.7970000      0.1333000      -1.484300    
 H    2.260700     -0.7915000      -1.810300    
 H    3.402500      0.2276000      0.1322000    
 H   0.8556000       1.910300      0.4657000    
 H    2.318600       2.034000       1.428900    
 H    3.439300       2.465100     -0.7136000    
 H    2.101800       2.206500      -1.606000    
 H   -2.034800       2.526300      -1.237100    
 H   -2.592100       2.826100      0.4451000    
 H   -3.755100       2.381000     -0.8215000    


%chk=000088363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088363

0 1
O -1.454343 0.316704 -0.281095
O -2.767860 0.846420 1.581062
N 1.303919 -1.436314 -0.065285
N 2.976221 1.783365 -1.131373
C 0.344170 -0.989862 0.987876
C -1.079997 -1.007478 0.323136
C 0.792323 0.282546 1.735359
C 0.547838 -2.505541 -0.775860
C -0.948739 -2.026375 -0.838022
C 1.775647 -0.353994 -0.975691
C 2.415868 0.799490 -0.178131
C 1.364047 1.380604 0.805023
C -2.321553 1.138176 0.447307
C -2.640842 2.391211 -0.341476
H 0.297819 -1.817116 1.729825
H -1.861775 -1.251936 1.062794
H 1.582881 -0.013340 2.451921
H -0.053316 0.671125 2.332387
H 0.618434 -3.442264 -0.189940
H 0.980518 -2.692221 -1.772858
H -1.169107 -1.512622 -1.789187
H -1.658390 -2.864698 -0.732802
H 0.951622 0.071646 -1.603458
H 2.534417 -0.779599 -1.654895
H 3.259745 0.379089 0.403327
H 0.555468 1.841799 0.204851
H 1.821806 2.183806 1.415372
H 3.582114 2.483929 -0.690396
H 2.258349 2.228680 -1.716310
H -3.225627 2.130608 -1.241456
H -1.711980 2.879142 -0.683133
H -3.222779 3.084220 0.283027


