%chk=000062612.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062612

0 1
 O   0.1541000       1.972100      0.6585000    
 O    1.428200      -1.623200      0.4743000    
 O   -2.735600     -0.4941000      3.7999999E-02
 N   0.7794000      0.2430000     -0.8579000    
 C  -0.3649000     -0.2155000     -5.7200000E-02
 C  -0.3438000      0.7224000       1.149800    
 C   9.9999998E-03  -1.648000      0.2761000    
 C   0.8435000       1.675500     -0.5617000    
 C    1.908800     -0.5058000     -0.2903000    
 C   -1.679600     -0.1263000     -0.8295000    
 H   -1.324000      0.8892000       1.605800    
 H   0.3382000      0.3854000       1.939400    
 H  -0.4701000      -2.021300       1.185700    
 H  -0.1989000      -2.341900     -0.5465000    
 H    1.866400       2.065200     -0.5103000    
 H   0.3354000       2.230900      -1.358100    
 H    2.540600     -0.8906000      -1.097300    
 H    2.542600      8.9800000E-02  0.3769000    
 H   -1.692200     -0.7833000      -1.706200    
 H   -1.877200      0.8934000      -1.177400    
 H   -2.637200      -1.438500      0.2456000    


%chk=000062612-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062612

0 1
O 0.620789 1.726494 1.179036
O 1.625165 -1.410393 0.509259
O -2.804372 -0.731416 -0.092989
N 0.788964 0.408405 -0.787054
C -0.376896 -0.161819 -0.000323
C -0.584118 0.873604 1.170539
C 0.161509 -1.550062 0.477665
C 1.014273 1.762247 -0.246811
C 1.898578 -0.567425 -0.678278
C -1.637237 -0.287507 -0.876508
H -1.492674 1.481203 0.984354
H -0.650838 0.405912 2.163833
H -0.160110 -1.826888 1.492840
H -0.131371 -2.348636 -0.243001
H 2.069276 2.071142 -0.308364
H 0.369099 2.485730 -0.786826
H 1.916304 -1.214888 -1.578923
H 2.876048 -0.079934 -0.533731
H -1.439255 -0.963083 -1.734028
H -1.925327 0.700386 -1.271054
H -2.714107 -1.694672 0.118063