%chk=000086207.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086207

0 1
 O    2.066100       1.566600      -1.475400    
 O   -2.069500     -0.3098000      -2.066400    
 C    2.258500       1.214500     -7.6499999E-02
 C   -2.227700     -0.8906000     -0.7415000    
 C    1.107700      0.4300000      0.4572000    
 C   -1.060000     -0.5873000      0.1357000    
 C   1.5699999E-02  0.1473000     -0.3634000    
 C    3.592300      0.4306000     -2.3700001E-02
 C   -3.555000     -0.3158000     -0.1902000    
 C    2.336800       2.605200      0.6172000    
 C   -2.298600      -2.415400      -1.044100    
 C    1.124000     -2.1900000E-02   1.776800    
 C   -1.043500      -1.039100       1.455400    
 C    3.695700     -0.7489000     -0.7081000    
 C   -3.934200      0.9460000     -0.5570000    
 C   4.8400000E-02 -0.7564000       2.275900    
 C    4.605700      0.9755000      0.7186000    
 C   -4.281900      -1.119900      0.6464000    
 C    4.906600      -1.438600     -0.6466000    
 C   -5.133800       1.444000     -4.8400000E-02
 C    2.574500      -1.323300      -1.510400    
 C   -3.122500       1.804400      -1.471000    
 C    5.816600      0.2858000      0.7799000    
 C   -5.481500     -0.6219000       1.154800    
 C    5.967000     -0.9211000      9.7499996E-02
 C   -5.907400      0.6600000      0.8075000    
 H   3.8000001E-03  0.5070000      -1.386100    
 H    3.111300       3.242600      0.1733000    
 H    2.496200       2.538400       1.699200    
 H    1.393100       3.147400      0.4695000    
 H   -3.150200      -2.645200      -1.696200    
 H   -2.373500      -3.036400     -0.1459000    
 H   -1.399200      -2.746500      -1.579700    
 H    1.964400      0.1874000       2.433100    
 H   -1.854700      -1.626400       1.872400    
 H   6.3000001E-02  -1.111100       3.302300    
 H    4.547000       1.901100       1.275300    
 H   -3.982000      -2.117000      0.9435000    
 H    2.910900       1.897200      -1.826900    
 H   -1.367200     -0.7910000      -2.536700    
 H    5.040700      -2.381500      -1.170200    
 H   -5.481800       2.439800     -0.3102000    
 H    2.113800     -0.6184000      -2.202700    
 H    2.956000      -2.122900      -2.159500    
 H    1.833700      -1.804800     -0.8677000    
 H   -3.462700       2.846000      -1.388100    
 H   -2.067300       1.858200      -1.194800    
 H   -3.273100       1.544100      -2.523400    
 H    6.642300      0.6868000       1.360800    
 H   -6.083700      -1.231400       1.822500    
 H    6.909500      -1.458600      0.1463000    
 H   -6.841500       1.047600       1.203400    


%chk=000086207-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086207

0 1
O 2.182460 0.917212 -2.032959
O -2.423869 -0.073212 -2.254438
C 2.334248 1.037915 -0.547766
C -2.456860 -0.797593 -0.953600
C 1.133273 0.295134 0.066708
C -1.190282 -0.501800 -0.109723
C -0.051051 0.106256 -0.683728
C 3.692050 0.427407 -0.128270
C -3.737342 -0.303894 -0.243662
C 2.185538 2.542375 -0.200236
C -2.462814 -2.314296 -1.276830
C 1.169999 -0.115005 1.420577
C -1.142714 -0.907241 1.248081
C 4.022184 -0.933182 -0.447891
C -3.936833 1.087408 0.038926
C 0.030971 -0.710932 2.006689
C 4.645939 1.214795 0.566316
C -4.734402 -1.230321 0.149374
C 5.296220 -1.426791 -0.068912
C -5.133814 1.479452 0.690749
C 3.063775 -1.876216 -1.156932
C -2.924758 2.162756 -0.318926
C 5.907560 0.702724 0.941281
C -5.916407 -0.822089 0.806058
C 6.237766 -0.629461 0.618585
C -6.120074 0.545992 1.077810
H -0.067900 0.459305 -1.718073
H 2.990242 3.149337 -0.656435
H 2.186527 2.714707 0.890211
H 1.218778 2.891948 -0.599440
H -3.319985 -2.569236 -1.923999
H -2.494753 -2.936093 -0.365816
H -1.528807 -2.572975 -1.810993
H 2.084022 0.022465 2.009876
H -2.027025 -1.358065 1.713740
H 0.059276 -1.022637 3.057020
H 4.407675 2.249988 0.827211
H -4.601455 -2.295189 -0.061866
H 2.950465 1.387936 -2.446398
H -1.726908 -0.490639 -2.823941
H 5.549218 -2.464401 -0.319012
H -5.289715 2.545138 0.898932
H 2.579397 -1.384641 -2.016178
H 3.594312 -2.780140 -1.503693
H 2.253136 -2.198161 -0.476569
H -3.358399 3.167577 -0.174892
H -2.023686 2.088246 0.318732
H -2.589346 2.057257 -1.362949
H 6.620068 1.338961 1.477828
H -6.667426 -1.565779 1.095011
H 7.212824 -1.045100 0.896711
H -7.032498 0.885102 1.581402


