! wB97X-D3BJ Opt Freq def2-TZVPP def2/J RIJCOSX VeryTightSCF
! PAL8 VeryTightOpt defgrid3

%maxcore 4096

%geom
  MaxIter 400
  Step qn
  # MaxStep 0.1
  Calc_Hess true
  # Recalc_Hess 2
  ConnectFragments
     { 1 2 O 4 7 }
     { 2 3 O 7 14 }
   end
end

%method
  Z_tol 1e-12
end
  
%chelpg
  grid 0.1
  rmax 3.0
end

* xyz 1 1
 C(1)                 -1.34313900   -1.60852400   -0.62553700
 H(1)                 -0.83317900   -2.49017400   -0.25548000
 H(1)                 -2.41347600   -1.77616700   -0.65557100
 H(1)                 -0.96457700   -1.32034000   -1.60153400
 O(1)                 -1.10068000   -0.55310000    0.32431900
 H(1)                 -1.61378000    0.27206700    0.17460600
 H(1)                 -0.13254400   -0.40210000    0.57612500
 O(2)                  1.29474700   -0.28626500    0.94839500
 H(2)                  2.03170500    0.02700700    0.41308800
 H(2)                  1.62471600   -0.46170000    1.81934100
 C(3)                  4.38419752   -0.24973803   -1.19851146
 H(3)                  5.30207498   -0.23720855   -0.64874425
 H(3)                  4.00908198   -1.25081573   -1.24358656
 H(3)                  4.55780368    0.11110954   -2.19075635
 O(3)                  3.42680800    0.58915200   -0.54692200
 H(3)                  3.80421169    1.45803557   -0.53281390
*