#
#Constrained Opt
#
! opt wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 4000
%geom constraints
{ A 0 3 8 C }
{ A 3 8 23 108.5 C }
end end

* xyz 1 1
  C          -0.68201810920967     -2.38267502798262     -0.10139737465777
  C           0.69173896304811     -2.50521987358833      0.11131931606621
  C           1.44267792348215     -1.40731993907474      0.51177344155470
  C           0.82170258616001     -0.16966503510938      0.71238359346826
  C          -0.54784795112351     -0.04135686128885      0.48755782955879
  C          -1.29583924883443     -1.14975412696391      0.08844982815158
  H           2.51524819440801     -1.52694982752381      0.68017572135975
  H          -1.05205844315221      0.91975380519651      0.62333236605882
  C           1.64181283728020      1.03728275314610      1.15620924113217
  H           1.23071840537880      1.48086528772660      2.07241957397195
  H           2.67018086366128      0.70653995748538      1.37913491220562
  H           2.22503872305718      1.60923448114637     -0.86151699718816
  C           1.18046732003316      3.27001270862019     -0.05392215337056
  C           1.33737089500072      3.98552295904745     -1.28469272809533
  C           0.48177338637156      3.89351727444478      1.02997511851931
  C           0.82193577996173      5.25702876517326     -1.42222207874516
  H           1.86700183729603      3.50920904550777     -2.11421419734732
  C          -0.02752828492506      5.16364246288393      0.87896428939098
  H           0.35240304432567      3.36554197487706      1.97657807918987
  C           0.14308414270145      5.83940491179917     -0.34241960260938
  H           0.93643478334274      5.80555249691318     -2.35865172412514
  H          -0.55997047924027      5.64772698706073      1.69952545008713
  H          -0.26751687458521      6.84718119795541     -0.45230608311663
  C           1.71587683301777      1.99053780697431      0.03435814948169
  C           1.34715999325368     -3.85269076794924     -0.11370119764465
  F           2.64483089579225     -3.82164224897654      0.19240241658101
  F           1.23328249556784     -4.21883506258648     -1.39014170163835
  F           0.76633091604025     -4.78993742135729      0.63140112948594
  H          -1.27215786268166     -3.24527702437206     -0.41884583971691
  C          -2.79030337318157     -0.99640694588876     -0.09810161617254
  F          -3.07773438342462      0.19807829243170     -0.62908510032960
  F          -3.42375134920963     -1.07496158528192      1.07191029788536
  F          -3.28219360961273     -1.93565754044598     -0.89869357939164
*

