! 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
C        1.2881873086     -0.1452374127      0.0325703935                 
C        1.0194947418     -1.5333679663      0.0322542666                 
C       -0.2942813113     -2.0139068071      0.0030768355                 
C       -1.3519052598     -1.0991719265     -0.0451449163                 
C       -1.1058284114      0.2757042660     -0.0591747646                 
C        0.2045020944      0.7655573780     -0.0103794850                 
C        0.4562858351      2.2452549045     -0.0846570194                 
H        1.9611056321      0.1020685916      0.9025829230                 
H        1.8551561871     -2.2313680482      0.0546283161                 
C       -0.5780753974     -3.4865568390      0.0009894980                 
H       -2.3793781557     -1.4541456891     -0.0802317098                 
H       -1.9465380447      0.9636219540     -0.1120263446                 
H        0.4933817089      2.5655450129     -1.1303635451                 
H        1.4045233883      2.5048325418      0.3976038718                 
H       -0.3342277306      2.8005849617      0.4308233624                 
H        0.3396315628     -4.0728899213      0.1150367645                 
H       -1.0506038846     -3.7773706165     -0.9426301282                 
H       -1.2430154517     -3.7446858132      0.8316061610                 
H        2.1383601855      0.1363665104     -0.6369849063   
*