%chk=000086229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086229

0 1
 O  -0.1328000      0.8389000      0.2843000    
 O   -1.288100      0.9324000       2.273300    
 C    2.100300       1.703800     -0.1492000    
 C    2.655800      0.3548000     -0.6675000    
 C    3.150000     -0.5750000      0.4480000    
 C    3.720100      -1.907100     -7.6800004E-02
 C    1.657800       2.548500      -1.366000    
 C   0.9699000       1.512400      0.8742000    
 C    4.202800      -2.819300       1.051800    
 C    2.661200      -2.632100     -0.9109000    
 C    1.162500       3.941000      -1.001600    
 C   -1.201100      0.6110000       1.098400    
 C   -2.280800     -9.7700000E-02  0.3658000    
 C   -3.591800      0.1164000      0.7391000    
 C   -1.939400     -0.9485000     -0.6653000    
 C   -4.606000     -0.5497000      5.0999999E-02
 C   -2.953600      -1.614600      -1.353500    
 C   -4.286900      -1.415200     -0.9952000    
 H    2.918700       2.234400      0.3552000    
 H    1.865800     -0.1359000      -1.246400    
 H    3.484100      0.5483000      -1.360700    
 H    2.331600     -0.8097000       1.137100    
 H    3.921400     -5.8699999E-02   1.032400    
 H    4.579500      -1.690900     -0.7241000    
 H   0.8730000       2.027400      -1.927800    
 H    2.509700       2.658600      -2.048800    
 H   0.6367000       2.488200       1.246600    
 H    1.323600      0.9538000       1.747200    
 H    3.379300      -3.093400       1.719700    
 H    4.637800      -3.741100      0.6515000    
 H    4.971200      -2.318200       1.649700    
 H    2.466000      -2.117300      -1.856400    
 H    3.001100      -3.640600      -1.172500    
 H    1.716500      -2.730200     -0.3652000    
 H   0.2107000       3.902300     -0.4640000    
 H    1.893600       4.470000     -0.3824000    
 H    1.000100       4.529400      -1.910500    
 H   -3.852900      0.7903000       1.549600    
 H  -0.9088000      -1.131500     -0.9546000    
 H   -5.644200     -0.3940000      0.3294000    
 H   -2.705300      -2.291100      -2.166100    
 H   -5.076400      -1.934300      -1.530600    


%chk=000086229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086229

0 1
O -0.198499 0.874797 0.192080
O -1.379692 1.050187 2.192553
C 2.091170 1.648954 -0.188272
C 2.580735 0.245297 -0.639743
C 3.116612 -0.652198 0.498891
C 3.823567 -1.947148 0.011996
C 1.712150 2.520327 -1.418244
C 0.954128 1.567986 0.841264
C 4.456987 -2.696377 1.208591
C 2.860830 -2.879992 -0.762027
C 1.390502 3.995590 -1.093452
C -1.323706 0.674799 0.993712
C -2.420489 -0.025133 0.261534
C -3.622480 -0.297418 0.965184
C -2.291517 -0.417085 -1.096485
C -4.686565 -0.956394 0.316307
C -3.359139 -1.076231 -1.741775
C -4.557026 -1.347131 -1.038183
H 2.930962 2.152399 0.341969
H 1.748827 -0.263328 -1.163369
H 3.387429 0.389089 -1.388656
H 2.289065 -0.944811 1.177969
H 3.835744 -0.067368 1.111760
H 4.641186 -1.646235 -0.678795
H 0.847062 2.055336 -1.930146
H 2.558008 2.485380 -2.133969
H 0.614993 2.566325 1.170079
H 1.239253 0.995147 1.741112
H 3.676358 -3.011414 1.928195
H 4.993788 -3.604131 0.875342
H 5.176206 -2.053940 1.750813
H 2.462516 -2.399565 -1.673580
H 3.375553 -3.809466 -1.069535
H 2.000649 -3.164491 -0.124935
H 0.478649 4.094450 -0.476642
H 2.223804 4.476214 -0.545894
H 1.221256 4.572975 -2.020747
H -3.698032 0.014931 2.012066
H -1.360614 -0.200678 -1.627899
H -5.613374 -1.165679 0.861259
H -3.259775 -1.378777 -2.789935
H -5.384382 -1.859394 -1.542194


