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

%maxcore 4096

%geom
  MaxIter 400
  # MaxStep 0.1
  Calc_Hess true
  # Recalc_Hess 2
end

%method
  Z_tol 1e-10
end
  
%chelpg
  grid 0.1
  rmax 3.0
end

* xyz 1 1
  C      1.542449   -0.439589    2.643374
  C      0.901165   -0.140175    1.314411
  C     -0.455740    0.163927    1.224119
  H     -1.053793    0.212987    2.128118
  C     -1.065954    0.379829   -0.010950
  H     -2.129164    0.591854   -0.052693
  C     -0.337783    0.304217   -1.203706
  C     -1.003544    0.472490   -2.545606
  C      1.027993    0.007427   -1.108278
  H      1.615118   -0.074816   -2.017355
  C      1.630280   -0.211260    0.123713
  H      2.682315   -0.479587    0.163418
  O      0.497698    2.968752   -0.049413
  H      1.560354    2.944184   -0.033424
  H      0.140105    3.163902    0.828131
  O      2.957644    2.942513    0.042368
  H      3.405019    2.095412   -0.049016
  H      3.485473    3.614103   -0.401617
  H      0.124732    2.090738   -0.349139
  H      1.153048    0.207393    3.430572
  H      2.625725   -0.324264    2.602360
  H      1.332132   -1.471171    2.935472
  H     -1.999958    0.902145   -2.445354
  H     -1.107422   -0.498468   -3.034145
  H     -0.416443    1.109218   -3.209357
*