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

* xyz 1 1
  C          -0.85692602532246     -2.46911995401661     -1.16279377396823
  C          -0.07812831925631     -2.27672176224840     -0.02055083787222
  C           0.64682266236055     -1.11764747514023      0.12503622105535
  C           0.59490774894760     -0.12280250306998     -0.87977187658368
  C          -0.19725121547819     -0.33553702960743     -2.03196534310922
  C          -0.91426784738428     -1.50324434771011     -2.16737264976700
  H           1.25451446460587     -0.95991716328666      1.00845942417861
  H          -0.23156067201006      0.41022380267932     -2.81609150798313
  H          -1.51735293830546     -1.67848945039107     -3.04937769722965
  C           1.37342288769522      1.03435080373340     -0.69768630018091
  H           2.01763960729686      1.05032812194120      0.17877148301654
  H           2.33766218529496      2.73013143319600     -1.55596941459070
  H           0.88454645830172      2.19173453740929     -2.45678758726131
  C           0.47956531473718      3.02468425523367     -0.46690180192856
  C          -0.91077017234819      2.93708824392938     -0.54424916892214
  C           1.08056868376710      3.77044933402190      0.54965150539141
  C          -1.69633211989854      3.64391310042689      0.35137934848570
  H          -1.37835329437401      2.33232919683144     -1.31420585375089
  C           0.29087131677933      4.46913084056748      1.44810698173890
  H           2.16236935864445      3.82803528543983      0.61623142989206
  C          -1.09556081985311      4.40712973734025      1.34750377646631
  H          -2.77620925476962      3.59781685566212      0.27725008622599
  H           0.75473135125936      5.06644569386980      2.22387802985641
  H          -1.71148762853178      4.95443137137504      2.05165240548400
  C           1.35686136009243      2.26392341603427     -1.48169208163624
  H          -1.42238912318007     -3.38916301936598     -1.26957275664191
  C          -0.05343510364260     -3.36233367011165      1.03681144818187
  F           0.72959616006630     -3.02411512758478      2.06940074723034
  F           0.40521017795615     -4.51161358749717      0.52178240666693
  F          -1.28933913345038     -3.58869798966127      1.50544477755536
*

