! 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
H        1.3000642134     -0.0113067775      2.1010367350                 
C        0.7333787099     -0.0009853422      1.1750825933                 
C       -0.6089127319      0.0222804880      1.2139714998                 
H       -1.1569263765      0.0316038787      2.1494280561                 
C       -1.3420513527      0.0369727493     -0.0297770178                 
H       -2.4255073052      0.0733197798      0.0031655639                 
C       -0.6860436776      0.0098611281     -1.3150425630                 
H       -1.2902895105      0.0101677540     -2.2152848064                 
C        0.6556300097     -0.0134286642     -1.3587936555                 
H        1.1643767887     -0.0330071133     -2.3176469680                 
C        1.5180519544     -0.0148895098     -0.1171046208                 
H        2.1559305127     -0.9057980212     -0.1322982501                 
H        2.1730476796      0.8633426696     -0.1415114944  
*