#
#Constrained Opt
#
! opt wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 4000
%geom constraints
{ A 0 3 10 C }
{ A 3 10 25 108.5 C }
end end

* xyz 1 1
  C           0.11791244323440     -2.75769171915448      0.13665322600687
  C           1.36818749552652     -2.51038310679234     -0.42722728317553
  C           1.91938903845382     -1.23542441844021     -0.35301758753647
  C           1.22895334755960     -0.20667043217168      0.29430737391479
  C          -0.02864364673513     -0.45910339763106      0.85142425447331
  C          -0.57933386434089     -1.73500354696782      0.78030576937522
  H           1.91484893405409     -3.31823627940450     -0.91715623352936
  H           2.90584110147943     -1.05103635865890     -0.78670754707776
  H          -0.57991866583220      0.33632650861762      1.36175961650693
  H          -1.55294711090157     -1.93845788909584      1.23058582977278
  C           1.83743370246041      1.19043937198050      0.38064939525976
  H           1.81405612683451      1.56990604761091      1.41034824512381
  H           2.89366348626664      1.13678380511751      0.06763282533659
  H           1.24812248756065      1.78244549242097     -1.62764308220555
  C           0.30874756776042      3.15355551914603     -0.30836653876111
  C          -0.31524774217013      3.81242974916416     -1.41502385895133
  C           0.06028554784850      3.63265420716447      1.01699244379322
  C          -1.14503331438088      4.89421835423728     -1.20531079009616
  H          -0.12767088604881      3.44655292851032     -2.42813076021194
  C          -0.77076606340372      4.71340738493360      1.21251243964574
  H           0.52856814890874      3.14508824791236      1.87403369625304
  C          -1.36942710139674      5.33892937025785      0.10490893221198
  H          -1.62416035885556      5.39858220506226     -2.04616293218082
  H          -0.96582025143216      5.08615170425668      2.21955392208781
  H          -2.02841181309930      6.19572646335197      0.27139410629490
  C           1.13525671157510      2.06525610702050     -0.57187351535984
  C          -0.51537374421010     -4.12704976371577      0.00783717135353
  F          -1.25578762711740     -4.41825773463994      1.07731387446546
  F           0.40626719568684     -5.07816164156432     -0.13273030023790
  F          -1.31390301528509     -4.17251311852813     -1.06136701255195
*

