#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts4.hess" end

* xyz 1 1
  C           0.04692557268033     -3.07113219849520     -0.01061090497728
  C           1.27692154203039     -2.52760750742848     -0.37752059648700
  C           1.42470006159566     -1.14360876333746     -0.42826662893648
  C           0.34085447894103     -0.30430931958545     -0.11949700952367
  C          -0.89451234150505     -0.86669312237298      0.26128359708143
  C          -1.03858008304239     -2.24476032339711      0.31195675796058
  H           2.11421603644310     -3.18437004891381     -0.62040753471289
  H           2.38904055872671     -0.71306897588600     -0.71342448523168
  H          -1.73986240245996     -0.23418028332393      0.54293653763354
  H          -1.99147293885387     -2.68753887530865      0.61188366990603
  C           0.55629854091568      1.14030404646169     -0.18434215885363
  H           1.59854768162689      1.48064323220537     -0.22905803741777
  H           0.01967086153367      1.70012282590370     -1.30238066418548
  H          -1.47787155484690      1.80657026288152     -0.19634659272977
  C          -0.21057899568207      3.58973877635127     -0.04809451106004
  C          -1.28300457610297      4.44864752006929     -0.34580267505231
  C           1.01844477482136      4.12550158889095      0.37884620614203
  C          -1.12395658679253      5.82726418779716     -0.23634545360046
  H          -2.24376589602908      4.03469280872118     -0.66671005114986
  C           1.17059783013156      5.50303280856439      0.48772067474543
  H           1.85232591946237      3.47445756061583      0.65478425310460
  C           0.10250647531515      6.35242897075173      0.17662733677893
  H          -1.95779287791535      6.49344471259623     -0.46986400656776
  H           2.12123583172913      5.92028048003328      0.82830437945334
  H           0.22709935427968      7.43480187152657      0.26768691416841
  C          -0.43380071273342      2.14328354673111     -0.18250708513737
  C          -0.14547713192658     -4.57700576219606      0.07039998246776
  F          -1.18063713759093     -4.95082887986781     -0.68738558624344
  F          -0.40534601436421     -4.94066933956032      1.32942290526961
  F           0.93892272961261     -5.23418780042799     -0.34222423284481
*

