! UKS 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 50
end

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

* xyz 1 3
  H      1.302813    1.149221    2.189281
  C      0.893977    0.725433    1.280904
  C     -0.165811   -0.128652    1.310256
  H     -0.635902   -0.414670    2.242594
  C     -0.665130   -0.662068    0.084274
  H     -1.504236   -1.348409    0.110374
  C     -0.086080   -0.318223   -1.170471
  H     -0.495106   -0.741872   -2.078826
  C      0.973996    0.535545   -1.198256
  H      1.444665    0.820805   -2.130580
  C      1.474114    1.064667    0.027432
  H      2.319240    1.744337    0.002340
  O      1.811607   -4.011363    0.385579
  N      1.171423   -3.070292    0.362377
*