#
#Single point
#
! b3lyp d3bj def2-tzvppd def2/J verytightscf defgrid3
%pal nprocs 6 end
%maxcore 8000
%cpcm epsilon 3.90
refrac 1.491 # Average from doi.org/10.1016/j.optmat.2006.07.010
rsolv 1.3 end

* xyz 0 2
  C          -0.44195069750672      2.54678546455122     -0.00004083656094
  H          -0.99577514607191      2.86866264824566      0.90527646907227
  H          -0.99065253103418      2.86931059663335     -0.90822399347692
  O           0.87105329616355      2.94260168082104      0.00388704119603
  C          -0.30689374649904      1.02410031034165     -0.00027221087041
  C          -0.19044142805447      0.32360177179192     -1.20963828968522
  C          -0.18933927245641      0.32392249617879      1.20921906277103
  C          -0.02043369479463     -1.06081069817008     -1.20617063774406
  H          -0.24464344954805      0.86691151403752     -2.15671625698800
  C          -0.01927972959247     -1.06045609691741      1.20603429976367
  H          -0.24267884166715      0.86755230690547      2.15616336988906
  C           0.06429687568755     -1.77781605565307     -0.00000928510910
  H           0.05332574471511     -1.59757364824313     -2.15616584272510
  H           0.05542183636833     -1.59693660413060      2.15611170520659
  C           0.21752938986441     -3.27658482446100      0.00011983943688
  H          -0.77115824879819     -3.76908331588685     -0.00007635951970
  H           0.75602617116424     -3.62639435388168     -0.89375563318970
  H           0.75565602205999     -3.62627542216279      0.89425762853362
*