#
#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          -0.05572633031324     -2.47903690044675     -0.15549338887830
  C           0.14837673109306     -2.06048244506130      1.16427509275773
  C           0.59170385312216     -0.77630688830463      1.41155043423732
  C           0.83736084135804      0.11649824082189      0.32925487369408
  C           0.62154389410389     -0.32941454693682     -1.00658178911670
  C           0.17960372414930     -1.61460953636710     -1.23581956361556
  H           0.75690323645492     -0.44544459118182      2.44012133830420
  H           0.80230188509218      0.33352469903165     -1.85435782976785
  C           1.29240999441070      1.40773246783001      0.62447727171738
  H           1.42029949342120      1.64576595054856      1.68960717349017
  H           2.54080807473078      2.93745673351398     -0.04272931274837
  H           1.58660665267717      2.20138596374616     -1.34883335335089
  C           0.49350943498860      3.59185120533330     -0.07512475685697
  C          -0.79894325882043      3.41461278342040     -0.58080211866492
  C           0.80596525649506      4.74218049362977      0.65821057920004
  C          -1.76057837335973      4.40435430635131     -0.38764098558805
  H          -1.05673115415564      2.51426257065389     -1.14719990135178
  C          -0.15910237657908      5.72554418526715      0.85188359367227
  H           1.81309399612181      4.88304899795057      1.06047844409571
  C          -1.44159001061054      5.55722243649367      0.32949534768106
  H          -2.76355267613657      4.27420911166682     -0.79957979721589
  H           0.09308730185561      6.63029530220537      1.40902576363349
  H          -2.19808296206595      6.33026284840388      0.48178365582007
  C           1.55453203057508      2.51423054137220     -0.29697960139025
  H          -0.40193541068647     -3.49961185841727     -0.34940597463159
  C          -0.14223892458404     -3.02750505712150      2.30062644576559
  F           0.30258761198774     -2.54530025089810      3.45694499778905
  F           0.44551568240954     -4.19582321527300      2.06939323565494
  F          -1.45075900526614     -3.23244823835842      2.40220283293088
  C          -0.04847431370032     -2.12983286938465     -2.64729204176995
  F           0.13327562574354     -1.16171444418496     -3.54114904668778
  F          -1.28683421250445     -2.59504044199115     -2.76921168108744
  F           0.79614589799222     -3.11907416431311     -2.91453244772166
*

