#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts17.hess" end

* xyz 1 1
  C          -0.60244649559126     -3.24116901656131      0.08234232536356
  C           0.75327231086437     -2.80631147315494     -0.08305559831965
  C           1.02748354818059     -1.44917383709777     -0.11939249062452
  C          -0.01615660646881     -0.49611775507416     -0.00203677892604
  C          -1.33184867519855     -0.92884392605820      0.17164533542622
  C          -1.62160226111840     -2.29389589623443      0.21378809572031
  H           2.05565765392936     -1.10506493366279     -0.24374681138540
  H          -2.14891753525341     -0.21666517376951      0.31195733100919
  H          -2.65175670229311     -2.61571309383710      0.36667886639558
  C           0.33776962829392      0.92488976437826     -0.05651912194138
  H           1.36474030826949      1.19324537903037      0.22193717179072
  H           0.25021647287619      1.38031511959871     -1.23208472547630
  H          -1.56548334604148      1.72312360267190     -0.61510639103170
  C          -0.28974615861621      3.41498339362967     -0.09334443398967
  C          -1.20064477394017      4.33536008679622     -0.64929722022996
  C           0.82669918014016      3.88622618272951      0.62827669931979
  C          -0.98932948499055      5.70241611345321     -0.50467811821931
  H          -2.07436156645936      3.97250923008122     -1.19894565408596
  C           1.03168181785271      5.25251355988501      0.76954555640605
  H           1.52175137190489      3.18848377643037      1.10219042252761
  C           0.12725164937401      6.15823637167806      0.20097722246363
  H          -1.69529346854060      6.41468024650121     -0.93799648462506
  H           1.89144872767383      5.61964105206544      1.33497505146614
  H           0.29194414370518      7.23269350732670      0.31973320635500
  C          -0.56068454214129      1.99669187885872     -0.26838899149596
  O          -0.77512451846381     -4.55786301942246      0.11185653217402
  O           1.65772889669923     -3.78745207243229     -0.18723641124909
  C          -2.07922010432035     -5.09054510927330      0.28206699386185
  H          -2.51141331872198     -4.77735073766952      1.24702157758792
  H          -2.74341127427111     -4.78278209470997     -0.54266259581792
  H          -1.96664097344861     -6.18111654604909      0.27091529993917
  C           3.02108356575580     -3.44796432633625     -0.34110797706011
  H           3.18824635513777     -2.87340894070789     -1.26902314885336
  H           3.38946079052681     -2.86919209897727      0.52391195824126
  H           3.57101356469479     -4.39498327408635     -0.40080662271661
*

