%chk=000086572.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086572

0 1
 O  -0.9315000      -1.387400     -0.2667000    
 O  -0.8962000       1.295000      0.4693000    
 O    1.731000      -1.957800      0.3733000    
 O    1.804300       2.043900     -0.2110000    
 O    3.526100     -7.9499997E-02 -0.7851000    
 C   -2.112700     -0.7374000      0.2192000    
 C   -2.025700      0.7372000     -0.2153000    
 C   -3.358100      -1.416500     -0.3543000    
 C   -3.313300       1.489800      0.1345000    
 C   -4.630800     -0.6567000     -3.0000001E-04
 C   -4.549100      0.8020000     -0.4354000    
 C  -0.5721000      -2.554900      0.4735000    
 C  -0.5067000       2.590700      1.3200000E-02
 C   0.8123000      -2.990300      1.7200001E-02
 C   0.8979000       2.857600      0.5350000    
 C    3.075700      -2.274100      1.3200000E-02
 C    3.109900       2.020600      0.3653000    
 C    3.910500      -1.019200      0.2188000    
 C    4.028600       1.237000     -0.5643000    
 H   -2.124500     -0.7794000       1.316700    
 H   -1.834200      0.7814000      -1.295700    
 H   -3.432700      -2.445100      1.6200000E-02
 H   -3.262900      -1.500000      -1.444700    
 H   -3.267600       2.516700     -0.2458000    
 H   -3.403100       1.578800       1.224800    
 H   -4.797000     -0.7068000       1.082800    
 H   -5.492200      -1.136400     -0.4784000    
 H   -4.523500      0.8558000      -1.530800    
 H   -5.450000       1.334500     -0.1106000    
 H   -1.299000      -3.350300      0.2843000    
 H  -0.5499000      -2.318700       1.543400    
 H   -1.199300       3.334200      0.4188000    
 H  -0.5191000       2.624600      -1.081800    
 H    1.098100      -3.924300      0.5122000    
 H   0.8294000      -3.125000      -1.070000    
 H    1.165900       3.908500      0.3850000    
 H   0.9628000       2.606100       1.599800    
 H    3.113000      -2.588800      -1.035900    
 H    3.435800      -3.083000      0.6569000    
 H    3.050900       1.545900       1.349800    
 H    3.484300       3.043700      0.4804000    
 H    3.731400     -0.6066000       1.216800    
 H    4.974900      -1.245700      9.9600002E-02
 H    4.047700       1.726300      -1.544000    
 H    5.055000       1.203300     -0.1827000    


%chk=000086572-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086572

0 1
O -0.761930 -1.649010 0.587225
O -1.412514 1.208844 1.527804
O 2.228801 -1.665740 0.897340
O 1.236154 1.969620 0.178469
O 2.437494 -0.014187 -1.845573
C -1.997520 -0.865670 0.387687
C -1.743758 0.646453 0.185707
C -2.626981 -1.515161 -0.863892
C -3.006770 1.362954 -0.354486
C -3.883415 -0.777782 -1.374936
C -3.559743 0.709071 -1.640149
C -0.075113 -1.499870 1.876544
C -0.722064 2.503897 1.517611
C 1.239142 -2.279022 1.797779
C 0.801296 2.364968 1.518814
C 2.078914 -2.096872 -0.507745
C 2.631257 1.502459 0.167367
C 3.023061 -1.288661 -1.395958
C 3.031139 1.196901 -1.276325
H -2.665774 -0.983374 1.272066
H -0.877743 0.782317 -0.492819
H -2.849665 -2.571714 -0.628186
H -1.854599 -1.519438 -1.658549
H -2.773451 2.430257 -0.533037
H -3.779662 1.329627 0.440034
H -4.697424 -0.847094 -0.624075
H -4.252647 -1.268686 -2.295532
H -2.810582 0.784010 -2.454533
H -4.461993 1.252915 -1.979399
H -0.706725 -1.916113 2.696150
H 0.111859 -0.434864 2.091435
H -1.038516 3.014016 2.446690
H -1.032111 3.124241 0.652498
H 1.713530 -2.282474 2.796914
H 1.041401 -3.328977 1.493302
H 1.268059 3.339031 1.800196
H 1.105812 1.607151 2.273190
H 1.034861 -1.956848 -0.839938
H 2.345879 -3.176364 -0.578110
H 2.728774 0.596740 0.801248
H 3.298333 2.305931 0.559979
H 3.989403 -1.128441 -0.872807
H 3.214875 -1.869726 -2.319355
H 2.683353 2.014579 -1.931582
H 4.141604 1.139803 -1.331861


