#
#Constrained Opt
#
! opt wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 4000
%geom constraints
{ A 21 14 25 C }
{ A 14 25 10 108.5 C }
end end

* xyz 1 1
  C           0.17460081997595     -2.77409453871576     -0.00175776807498
  C           0.60880693535569     -2.26736797431792      1.22746326078811
  C           1.00288868202347     -0.94520814239377      1.30563712214901
  C           0.96821372643776     -0.11055908620492      0.15034967148497
  C           0.51879600692075     -0.65754398469775     -1.08944343274401
  C           0.12580420434256     -1.97564081254163     -1.15788753901003
  H           0.62829000036508     -2.91131375567999      2.10798307624732
  H           1.34496788618111     -0.53084271570510      2.25771291104362
  H           0.48375428215411     -0.03656639698616     -1.98636116390627
  H          -0.22690783532132     -2.40218606133585     -2.09904254066616
  C           1.37874564443163      1.21979090406086      0.28185174141228
  H           1.69642854776162      1.53570202413741      1.28515854847860
  H           2.36905137721084      2.76305562934758     -0.70899926775453
  H           1.21300884279241      1.90352138172294     -1.74881881000802
  C           0.32759254272167      3.31874386601589     -0.34347540754409
  C          -1.03372239230795      3.01297554734986     -0.45193999202786
  C           0.72409641176620      4.56918133521862      0.14350000970486
  C          -1.98983584725932      3.96641176409142     -0.10687329819061
  H          -1.35674384462845      2.03510120291025     -0.82276756439381
  C          -0.23425270869063      5.51771991634357      0.48750922624946
  H           1.78626773653032      4.81270192921517      0.23430590792849
  C          -1.59069288364722      5.21699487913309      0.36351382803153
  H          -3.05165486277887      3.73097181604045     -0.20603990344541
  H           0.08055059316840      6.49898569432956      0.84905904516377
  H          -2.34182307498790      5.96258581210015      0.63337418112178
  C           1.37788698680041      2.27941857440862     -0.73056420503084
  C          -0.23673622157678     -4.23733610199126     -0.12282713630700
  F          -1.38074723077472     -4.33348947346166     -0.79083871966922
  F          -0.38956856750873     -4.79752133471148      1.06902454726586
  F           0.69981633254191     -4.90193455768218     -0.79081020829685
*

