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

%maxcore 4096

%geom
  MaxIter 400
  Step qn
  # MaxStep 0.1
  Calc_Hess true
  # Recalc_Hess 2
  ConnectFragments
     { 1 3 O 4 10 }
     { 2 3 O 7 10 }
   end
end

%method
  Z_tol 1e-12
end
  
%chelpg
  grid 0.1
  rmax 3.0
end

* xyz 1 1
 C(1)                 -0.48422900    1.54270500    0.20384400
 H(1)                  0.55216800    1.74277300   -0.04280700
 H(1)                 -1.13608700    2.26695700   -0.27048800
 H(1)                 -0.63042100    1.52562500    1.27950200
 O(1)                 -0.79932800    0.24933900   -0.35119700
 H(1)                 -1.72408200   -0.05231500   -0.20427700
 H(1)                 -0.10354900   -0.45819800   -0.17048100
 O(2)                  3.34564400    0.19955200   -0.07090300
 H(2)                  3.86069100    0.29792600   -0.86065100
 H(2)                  3.92757200    0.41179200    0.64677100
 O(3)                  1.06705000   -1.32838400    0.17056800
 H(3)                  1.14399100   -2.27009400    0.10450100
 H(3)                  1.94392900   -0.94094800    0.09954600
*