! 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        0.2873095673     -2.1642353697     -0.9013041165                 
C       -0.1281668346     -1.2290938545     -0.5554688747                 
C        0.5185442662      0.0014877286     -0.9373990492                 
H        0.9980615989      0.0024093051     -1.9191326655                 
C       -0.1306070248      1.2304106694     -0.5543634995                 
H        0.2829332170      2.1667483310     -0.8992729802                 
C       -1.2375644593      1.2148414605      0.2574068170                 
H       -1.7043160607      2.1389376203      0.5620672996                 
C       -1.7869696048     -0.0015705678      0.6631008248                 
H       -2.6701059455     -0.0026995599      1.2851733445                 
C       -1.2350716612     -1.2165160541      0.2564046778                 
H       -1.6999462147     -2.1418188877      0.5602476201                 
O        2.7726177949     -0.0000774027      0.6644954977                 
H        3.3437969215     -0.7748858457      0.6948505562                 
H        3.3351253438      0.7801426177      0.7121567792                 
H        1.4800841885      0.0018812576     -0.2715161794                 
O        0.4550239724      0.1369653296     -3.9133850260                 
H        0.1129503147     -0.5556525000     -4.5000417866                 
H        0.5920009139      0.9521025202     -4.4210154802  
*