#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts21.hess" end

* xyz 1 1
  C          -0.03100937190573     -3.07956019337813      0.01687123221382
  C           1.24372277919171     -2.54835441323294     -0.18367245488016
  C           1.42826290401816     -1.17046046422371     -0.23238891412509
  C           0.31904239501854     -0.32281110809198     -0.07063849397662
  C          -0.96652015833807     -0.85125109679014      0.14790446874744
  C          -1.12981706071107     -2.22867412408701      0.18113558369143
  H           2.43668389428540     -0.78441096727417     -0.39903288376347
  H          -1.84669620677943     -0.22951881895795      0.32035829901104
  C           0.56187645111781      1.11620327759779     -0.11209596761454
  H           1.60994249910080      1.43817969734239     -0.06218466404485
  H           0.10447644786943      1.73431052382395     -1.32220408956414
  H          -1.45153491241556      1.81179076223449     -0.34529858770370
  C          -0.17681890626219      3.58021448192237     -0.08128897949355
  C          -1.19603332807756      4.45483293453571     -0.49395592603179
  C           1.00441119116339      4.09550451860832      0.48104911030783
  C          -1.03020770291376      5.83087025755270     -0.36070935956082
  H          -2.12111705638727      4.05700445436219     -0.92227099713038
  C           1.16345024120220      5.47068951428419      0.61264816442146
  H           1.79414363573008      3.43301929947105      0.84598870649950
  C           0.14958404909573      6.33718254685508      0.18867891022283
  H          -1.82351083467541      6.50956844391448     -0.68267546419818
  H           2.07638538096521      5.87211832449397      1.05901685605785
  H           0.27886457529374      7.41724717182131      0.29811921376181
  C          -0.40625597866902      2.13221360197248     -0.25153924648420
  N          -0.22187901752216     -4.54169004071660      0.06314627502431
  O          -1.04932210822375     -4.98735886542020     -0.69218131181083
  O           0.46843616296139     -5.14026827870727      0.84913258764909
  F          -2.32130146843443     -2.74034739602117      0.40003422348709
  F           2.27020950430183     -3.35268604389124     -0.34864729071315
*

