! 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-12
end
  
%chelpg
  grid 0.1
  rmax 3.0
end

* xyz 0 1
 C -0.0139968  0.7314187 0.0000000
 H 0.4585845 1.1292884 0.8736513 
 H 0.4585845 1.1292884 -0.8736513 
 H -1.0492508  1.0018798 0.0000000  
 O 0.1064059 -0.6935035  0.0000000
 H -0.3175922  -1.0504707  -0.7838367
*