! 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        1.1390008148     -0.2095611772     -0.0137155271                 
C        0.8748512943     -1.5799999040     -0.0622274882                 
C       -0.4519370560     -2.0554032027     -0.0809121984                 
C       -1.5020968922     -1.1152325391     -0.0770033768                 
C       -1.2312898741      0.2539455850     -0.0291492275                 
C        0.0893027550      0.7164608935      0.0185627084                 
C        0.3782955131      2.1882154726      0.0351805205                 
H        2.1715179908      0.1318807938     -0.0031089614                 
H        1.7029962866     -2.2856029442     -0.0891296538                 
H        0.4922119184      2.5588977792     -0.9881097365                 
H        1.2966409075      2.3985592254      0.5934282110                 
H       -0.4314096086      2.7409019670      0.5232017233                 
H       -2.0594573668      0.9588562248     -0.0308778956                 
H       -0.6021025974     -2.7970725064      0.7535169987                 
H       -2.5346381419     -1.4570647364     -0.1149522601                 
H       -0.6133057494     -2.9029266187     -0.7908126618   
*