! 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
N       -4.4057586715      0.0844653604      0.8264052394                 
O       -3.2234616665     -0.0681569416      0.5791674718                 
O       -6.1811937071      0.4684164751     -0.0326472655                 
H       -6.7384858386      1.2065042763     -0.3245671262                 
H       -6.8463628719     -0.2561489793      0.0190227156                 
O       -8.2281598542     -1.3487699507      0.0397674079                 
H       -9.1460024195     -1.3148151766      0.3598909963                 
H       -8.0919275626     -2.3005849613     -0.1123749494   
*