#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000

* xyz 1 1
  C          -0.03598319083212     -2.42483865586416      0.13338203049299
  C           0.51466424331126     -1.83863425573457      1.26934231063738
  C           1.05384120192496     -0.57322545145240      1.17385302549372
  C           1.04060142063585      0.11759222769245     -0.05819312426567
  C           0.48133771679316     -0.50371352730456     -1.19820980918139
  C          -0.05081754340251     -1.76812570068319     -1.09949584290566
  H           0.51278068441125     -2.37097511010864      2.21185745830425
  H           1.48624313266741     -0.09767972564255      2.04737194882603
  H           0.47986849534471      0.00293592085264     -2.15478352833799
  H          -0.48052525633870     -2.25569420938142     -1.96521772153430
  C           1.62645298676539      1.39916959882367     -0.10520207603342
  H           2.12029987737514      1.73890944149135      0.80245242781347
  H           2.47735056778663      2.97114679492281     -1.27046677844673
  H           1.27226224470397      1.98081016037930     -2.15682995443879
  C           0.44845115762979      3.18447144136242     -0.51496634344626
  C          -0.88692584839728      2.83848906469224     -0.72739635773644
  C           0.77284261921463      4.24709602798814      0.33242305408488
  C          -1.89372295776044      3.59308757389298     -0.14855127050669
  H          -1.13871460899297      1.99234048578863     -1.35790320897471
  C          -0.23748978620771      4.99383397362118      0.91529896003985
  H           1.81216594788060      4.50672539012985      0.50676065433390
  C          -1.56866717604226      4.66801897921861      0.67309084611756
  H          -2.93151512891275      3.34258922509419     -0.33276316642826
  H           0.01064105484943      5.83298700131917      1.55402883148647
  H          -2.35774151319335      5.25356872693284      1.13053898743105
  C           1.57337961987828      2.37079092280293     -1.18946830017505
  C          -0.59293994951428     -3.83825963145497      0.22540061703877
  F          -1.56623695160600     -4.03357828942414     -0.67144574102918
  F          -1.08835764275161     -4.08346978638174      1.44318679842191
  F           0.38359951277953     -4.72389199357302     -0.01637022708170
*

