%chk=000040045.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040045

0 1
 O    4.365600      -1.875400     -0.1220000    
 O    2.484800      -1.543600      -1.342100    
 C    2.957100     -1.6400000E-02  0.5048000    
 C    1.707200      0.7201000      0.1585000    
 C  -0.6960000      0.7653000     -8.8000000E-02
 C   0.4725000      7.5700000E-02  0.2360000    
 C    1.773400       2.054400     -0.2427000    
 C    3.002200     -0.5219000       1.961100    
 C   -1.976700      9.7000003E-02 -8.1000002E-03
 C  -0.6296000       2.099500     -0.4894000    
 C   0.6051000       2.744100     -0.5665000    
 C    3.220800      -1.207200     -0.4235000    
 C   -2.705100      0.1244000       1.181100    
 C   -2.482000     -0.5765000      -1.120200    
 C   -3.938900     -0.5219000       1.258200    
 C   -3.715900      -1.222400      -1.043200    
 C   -4.444400      -1.195100      0.1460000    
 H    3.813300      0.6574000      0.3628000    
 H   0.4171000     -0.9647000      0.5498000    
 H    2.726700       2.572100     -0.3082000    
 H    2.776900      0.2911000       2.660100    
 H    2.277800      -1.326000       2.132600    
 H    3.992900     -0.9135000       2.215500    
 H   -1.530600       2.652100     -0.7456000    
 H   0.6566000       3.783000     -0.8789000    
 H   -2.325500      0.6443000       2.057700    
 H   -1.926800     -0.6081000      -2.054700    
 H   -4.506100     -0.5009000       2.184100    
 H   -4.109400      -1.746900      -1.909000    
 H   -5.405000      -1.698100      0.2060000    
 H    4.513600      -2.635900     -0.7236000    


%chk=000040045-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040045

0 1
O 4.054475 -0.892475 -1.564541
O 2.578049 -2.344215 -0.518009
C 3.075669 -0.140234 0.517612
C 1.792683 0.672888 0.273985
C -0.670302 0.777525 0.076559
C 0.527586 0.038901 0.265795
C 1.866867 2.074873 0.092268
C 3.113312 -0.749803 1.943395
C -1.995773 0.091296 0.055634
C -0.572650 2.185886 -0.099832
C 0.683373 2.825863 -0.089556
C 3.181437 -1.247875 -0.527500
C -3.163104 0.738853 0.547214
C -2.127461 -1.229849 -0.455685
C -4.416847 0.091468 0.526372
C -3.380055 -1.879254 -0.475371
C -4.532537 -1.221999 0.014786
H 3.942248 0.527427 0.374480
H 0.474396 -1.044930 0.420548
H 2.842542 2.574998 0.088996
H 3.010150 0.051167 2.695318
H 2.289337 -1.469761 2.081069
H 4.065747 -1.280424 2.122407
H -1.478906 2.774652 -0.279637
H 0.743185 3.909737 -0.238285
H -3.083771 1.744083 0.976706
H -1.249193 -1.741833 -0.864942
H -5.300927 0.607004 0.918274
H -3.458110 -2.894133 -0.881154
H -5.505319 -1.725863 -0.000858
H 4.065499 -1.617972 -2.247448


