! 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 2
C        1.2080336374     -0.0806290722      0.0693599902                 
C        0.9889112681     -1.4606573917      0.0625175924                 
C       -0.3115516427     -1.9718886054      0.0006597532                 
C       -1.3889493621     -1.0806692222     -0.0594098930                 
C       -1.1697057160      0.2989840034     -0.0527324074                 
C        0.1301434145      0.8104745929      0.0251327707                 
C        0.3680438644      2.2908314079     -0.0033076603                 
H        2.2282139593      0.2940499045      0.1104721053                 
H        1.8433946834     -2.1320473563      0.1031051067                 
C       -0.5613255026     -3.4505137975     -0.0087832207                 
H       -2.4078907106     -1.4569560264     -0.1149603182                 
H       -2.0221814556      0.9720108194     -0.1078832768                 
H        0.4787524517      2.6323023927     -1.0370697652                 
H        1.2733669230      2.5517012575      0.5548746474                 
H       -0.4651386026      2.8294649112      0.4602806731                 
H        0.3740369707     -4.0166407687      0.0507212442                 
H       -1.0715527560     -3.7408198611     -0.9328083035                 
H       -1.1798150733     -3.7339856700      0.8488857963  
*