%chk=000085071.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085071

0 1
 O  -0.4617000      0.2878000     -5.2700002E-02
 O   0.8348000      -1.486900      0.6467000    
 C    1.862500      0.4526000     -0.4067000    
 C    2.389700       1.364900      0.6943000    
 C    2.972900     -0.4393000     -0.9561000    
 C   0.7139000     -0.3849000      0.1276000    
 C   -1.634700     -0.3834000      0.4181000    
 C   -2.822400      0.4793000      0.1473000    
 C   -3.854900      0.1100000     -0.6186000    
 H    1.486000       1.061100      -1.238500    
 H    3.202600       1.997300      0.3230000    
 H    2.767000      0.7855000       1.544300    
 H    1.596200       2.019500       1.070800    
 H    3.772100      0.1632000      -1.400200    
 H    2.584100      -1.111100      -1.729100    
 H    3.414000      -1.061600     -0.1696000    
 H   -1.723700      -1.354300     -8.3499998E-02
 H   -1.550100     -0.5463000       1.498700    
 H   -2.841000       1.463200      0.6085000    
 H   -4.690700      0.7832000     -0.7753000    
 H   -3.886200     -0.8612000      -1.099900    


%chk=000085071-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085071

0 1
O -0.412728 -0.241019 -0.890594
O 0.535527 -0.930680 1.127243
C 1.891994 0.358537 -0.498811
C 2.059274 1.701928 0.264555
C 3.131274 -0.549214 -0.315856
C 0.643400 -0.346497 0.023329
C -1.719828 -0.858693 -0.465183
C -2.504307 0.083422 0.410448
C -3.696525 0.622653 0.054644
H 1.732337 0.572867 -1.570410
H 2.947982 2.238171 -0.113601
H 2.197438 1.515918 1.344675
H 1.178725 2.355380 0.130539
H 4.040679 -0.018991 -0.651191
H 3.041081 -1.482219 -0.900670
H 3.253127 -0.821600 0.747092
H -2.234602 -1.066101 -1.415999
H -1.486956 -1.797847 0.069824
H -2.060707 0.305197 1.390009
H -4.250555 1.285487 0.728371
H -4.156231 0.411902 -0.919314


