%chk=000080476.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080476

0 1
 O   0.9531000     -9.2100002E-02 -0.7766000    
 O  -0.6192000      -2.265500     -4.9600001E-02
 C    3.245700     -0.2717000     -9.6699998E-02
 C    1.969100      0.5507000     -9.3000000E-03
 C  -0.3353000      8.9800000E-02 -0.3739000    
 C    4.372200      0.3464000      0.7118000    
 C   -1.124200      -1.001000     -8.8000000E-03
 C  -0.8645000       1.379600     -0.3281000    
 C   -2.442400     -0.8022000      0.4016000    
 C   -2.182700       1.578400      8.2300000E-02
 C   -2.971700      0.4876000      0.4472000    
 H    3.050800      -1.291400      0.2568000    
 H    3.549400     -0.3694000      -1.145800    
 H    1.662400      0.6435000       1.040600    
 H    2.136700       1.554600     -0.4159000    
 H    4.103700      0.4145000       1.770900    
 H    5.277100     -0.2637000      0.6297000    
 H    4.607300       1.352800      0.3511000    
 H  -0.2649000       2.238300     -0.6174000    
 H   -3.062400      -1.647700      0.6870000    
 H   -2.595500       2.582400      0.1161000    
 H   -3.998300      0.6425000      0.7662000    
 H   0.3042000      -2.216200     -0.3524000    


%chk=000080476-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080476

0 1
O 0.950951 -0.534111 0.051520
O -0.924595 -2.404893 -0.308159
C 3.364162 -0.324007 0.143575
C 2.041304 0.440967 0.227726
C -0.377764 -0.055567 0.082113
C 4.575076 0.622602 0.298707
C -1.345001 -1.083941 -0.113045
C -0.782805 1.278919 0.278644
C -2.715529 -0.770475 -0.110967
C -2.166158 1.589389 0.279832
C -3.124849 0.570619 0.086129
H 3.382037 -1.099283 0.932212
H 3.412620 -0.848791 -0.828952
H 1.930679 0.939518 1.213278
H 1.975118 1.210976 -0.569118
H 4.556332 1.145513 1.273279
H 5.521823 0.057767 0.239500
H 4.590892 1.389722 -0.497932
H -0.045239 2.073009 0.429832
H -3.439837 -1.576161 -0.263417
H -2.485282 2.625671 0.432282
H -4.192655 0.813137 0.087319
H 0.069321 -2.420381 -0.277559


