! 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 1
  H      0.964727   -0.666272    2.281428
  C      0.597168   -0.375437    1.305211
  C     -0.705008    0.093368    1.158271
  H     -1.352075    0.170890    2.024142
  C     -1.206026    0.424093   -0.107227
  H     -2.234352    0.750377   -0.206911
  C     -0.395554    0.320305   -1.225676
  H     -0.781780    0.559345   -2.208931
  C      0.931028   -0.086073   -1.073427
  H      1.580737   -0.157274   -1.938039
  C      1.423035   -0.451727    0.193640
  H      2.444614   -0.800417    0.288644
  O      0.772663    2.508974    0.576310
  N      1.513568    2.100779   -0.092581
  O      3.731363    3.339571   -0.152973
  H      3.918801    4.190713   -0.558561
  H      4.408030    3.239695    0.523210
*