#
#Constrained Opt
#
! opt wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 4000
%geom constraints
{ A 19 12 23 C }
{ A 12 23 8 108.5 C }
end end

* xyz 1 1
  C           0.00668711682035     -3.40667864481603     -0.12474561147597
  C           0.28199712355313     -2.92552319490428      1.16929013327439
  C           0.68819144672253     -1.62442062153061      1.34454837956185
  C           0.83357703454861     -0.76730557194894      0.21198560864031
  C           0.55205453072189     -1.26470468264028     -1.09624377780698
  C           0.14568702463367     -2.56603927667998     -1.25001617078120
  H           0.89489970963417     -1.26713340847276      2.35600775617394
  H           0.64831843544692     -0.64329528897924     -1.98765337488156
  C           1.25984647255432      0.54365583135227      0.42906202947398
  H           1.44449353919287      0.83055657712072      1.47303192887596
  H           2.43255983068090      2.06023692513142     -0.39166715326910
  H           1.39306185897211      1.26460718116479     -1.59174924122919
  C           0.38168275892185      2.69218060952983     -0.28891277207280
  C          -0.96603009973319      2.43442040139518     -0.56394465122135
  C           0.75859239063508      3.92685689791045      0.25073171978561
  C          -1.92399085292603      3.41909742768385     -0.33006000002431
  H          -1.27485814055022      1.46926310294989     -0.97793729127356
  C          -0.20139185788555      4.90728497263717      0.48226144026376
  H           1.80964293300222      4.13355752826226      0.47064424690115
  C          -1.54230659171310      4.65386795919905      0.19358357936526
  H          -2.97346130017763      3.22006206743875     -0.55753673773140
  H           0.10100227436435      5.87653967079271      0.88448904338835
  H          -2.29500511580329      5.42405985492867      0.37592471036169
  C           1.43476801261786      1.61846176633000     -0.55300474500016
  F           0.13645239258334     -3.74813292713660      2.17888840308763
  F          -0.37762786455813     -4.63032347209653     -0.28636344201582
  F          -0.12520502225905     -3.07062604462178     -2.42883071037048
*

