#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts16.hess" end

* xyz 1 1
  C           0.30603683577299     -3.96538711651141     -0.01817809528452
  C           1.54769281475373     -3.36415972528843     -0.22236946904308
  C           1.64774421866315     -1.97697349256672     -0.26668173295332
  C           0.51115077847614     -1.17059890887315     -0.10999029652002
  C          -0.74930444449563     -1.77737490447893      0.10588440081255
  C          -0.85038342837153     -3.15416405705682      0.15234798455983
  H           2.62660977270702     -1.51649357033656     -0.42746545666808
  H          -1.65028240306473     -1.17831990471376      0.26785776037824
  C           0.68892206804629      0.28151777927679     -0.18129359643771
  H           1.71371084772040      0.64913674028506     -0.04906521810243
  H           0.38150358155598      0.72959314080899     -1.32077799038749
  H          -1.34861817126324      0.89759288888501     -0.41775672837250
  C          -0.17098065242797      2.69861105093093     -0.07953948896762
  C          -1.24640979273679      3.52598121044464     -0.46080468887851
  C           1.00073490748717      3.27699747906816      0.45196380738700
  C          -1.14631009057207      4.90709956948390     -0.33168504962361
  H          -2.16101779575091      3.08007499752243     -0.86321208251070
  C           1.09414071415728      4.65667687291072      0.57853285440627
  H           1.83075922955516      2.65173700768733      0.79041880409243
  C           0.02408072305515      5.46984253885411      0.18407669334002
  H          -1.97996133072141      5.54706095415942     -0.62990370988531
  H           1.99790051000768      5.10602297965189      0.99685274917550
  H           0.10264690858200      6.55531739339266      0.29006493522687
  C          -0.33058243108155      1.26091268865627     -0.22950648106939
  O           0.19976100787475     -5.29064134844361      0.03294734466534
  H           2.42374905335577     -4.00483910997007     -0.34023357620684
  H          -0.72605890341832     -5.53339957498179      0.19185804041576
  O          -1.98795524344903     -3.85870206991406      0.36544558696416
  H          -2.75272865441747     -3.28813209888301      0.50428497948717
*

