#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts20.hess" end

* xyz 1 1
  C          -0.06000038886865     -2.17301494200407      0.00511699165023
  C           1.24976703058911     -1.68946741265258     -0.06400921208290
  C           1.44926603167079     -0.31329919335755     -0.10219957114556
  C           0.35878178229824      0.57072706450246     -0.05832470461102
  C          -0.94695367648713      0.05817863587983      0.03416990667777
  C          -1.16536585049120     -1.31284354392968      0.05254216952010
  H           2.47118720355775      0.06732086893569     -0.17171220436356
  H          -1.81319505583734      0.71718433290046      0.11528888637096
  C           0.63574535199618      2.00315669985879     -0.07634946924910
  H           1.68057740538183      2.30258633937566      0.07733495846176
  H           0.31916250040552      2.62748672906740     -1.31732167903495
  H          -1.32958158021019      2.74671761065866     -0.50185254533012
  C          -0.04701141586150      4.48278307394197     -0.10557160635324
  C          -1.00080646609054      5.38124944800649     -0.61328412112384
  C           1.08500578518283      4.97001845133888      0.57187233095949
  C          -0.81716786748282      6.75283925048966     -0.46009885323666
  H          -1.88838380252449      5.00537973045109     -1.13137129906854
  C           1.26182011839354      6.34088139359561      0.72280900648357
  H           1.81940928779150      4.28901185390734      1.01077652003973
  C           0.31444213958437      7.23094422236107      0.20407768909135
  H          -1.55918438521473      7.45015864802124     -0.85601308524904
  H           2.13531680873698      6.72077549550005      1.25805762289896
  H           0.45711367160911      8.30761688382813      0.32927447505972
  C          -0.29174796665022      3.04177232570505     -0.30152454631452
  N          -0.28802251565416     -3.63886372234443      0.03619434598252
  O          -0.85821823720655     -4.09794471555843     -0.91986748260987
  O           0.12007523867702     -4.21263309281965      1.01245485776569
  C          -2.60430789062650     -1.82885372872232      0.12465450976135
  F          -3.40784050495286     -0.85481290242303      0.57254883844985
  F          -2.69488301515524     -2.86007150458601      0.95983454054229
  F          -3.03648860489884     -2.19770910768955     -1.07479073873216
  C           2.46869101225722     -2.61451468797092     -0.08932313059023
  F           3.52749391951067     -1.94587811921522     -0.56273862179480
  F           2.24722921775039     -3.66026431576524     -0.88228761269355
  F           2.76509371881989     -3.04496706928685      1.12995683386831
*

