#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts3.hess" end

* xyz 1 1
  C          -1.50213812672679     -3.11410354037478      0.30730574619080
  C          -0.14505541372807     -2.89045961493355      0.05493726234529
  C           0.33975220591500     -1.59183256093545     -0.04385716574278
  C          -0.53937432056190     -0.50302417464973      0.09703122927763
  C          -1.90315643100818     -0.73338192803263      0.35894255327487
  C          -2.37810631857069     -2.03606835493699      0.46097928523073
  H           1.40432972640246     -1.42727613473567     -0.22942653288914
  H          -2.59461607776773      0.09925742121608      0.51142879643339
  H          -3.43375630842280     -2.21771588984040      0.67510705564687
  C           0.02469423626029      0.84191836231484     -0.00887291104377
  H           1.11620350847838      0.92524093230882      0.06731719014915
  H          -0.22426346431553      1.41771066714150     -1.20721628746631
  H          -1.77326563864503      1.96229130591769     -0.31467233868973
  C          -0.13824418285373      3.40479828676377     -0.08231159609852
  C          -0.92741852075360      4.46676287197846     -0.55826744940037
  C           1.12581164850611      3.66741525554044      0.47770351121817
  C          -0.45173798877468      5.77329347262055     -0.49296393003619
  H          -1.91564929588537      4.26719419566830     -0.98365236344458
  C           1.59456006461889      4.97452514224659      0.54159095936479
  H           1.73818290665796      2.86148627445576      0.89098616385034
  C           0.80884181728930      6.02495653490989      0.05334004442855
  H          -1.06527554913032      6.59719111483908     -0.86492142422570
  H           2.57169280753958      5.18115425715833      0.98463122085045
  H           1.18144641387851      7.05127853613184      0.10979015750581
  C          -0.68792432747922      2.04608492314557     -0.17722153583378
  C           0.78376694137921     -4.07611734923701     -0.13236686728988
  H          -1.87365649127381     -4.13849212141651      0.39820708251996
  F           0.56829546831909     -4.99849673145425      0.80781075182342
  F           2.06619014244122     -3.69919977535790     -0.06791982290510
  F           0.58011602821142     -4.64719997845267     -1.32297935504437
*

