#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts8.hess" end

* xyz 1 1
  C          -0.04351979443838     -3.95865897230939      0.03607492210082
  C           1.19909616921738     -3.41588797493546     -0.33641448453097
  C           1.36559950069611     -2.03907341991672     -0.39724724175947
  C           0.29564678800029     -1.17724290248196     -0.09431826088219
  C          -0.94468816488050     -1.72152038474498      0.29095902481879
  C          -1.11216932102994     -3.09610653398592      0.35344160069949
  H           2.02848942311936     -4.08510493177414     -0.57352611043545
  H           2.33644989218735     -1.62557982681124     -0.68629633924914
  H          -1.78123041403624     -1.07561976214684      0.57004614989217
  H          -2.06939938170594     -3.52210209145953      0.66068946934199
  C           0.53106807694846      0.26565114713674     -0.17714311559156
  H           1.57800860568537      0.59301449552464     -0.19284274490326
  H           0.05945621695610      0.77683582563508     -1.28570737295320
  H          -1.49389699828293      0.95457738129112     -0.20874314754875
  C          -0.21387067021697      2.72031828356923     -0.04344289816833
  C          -1.28347074121668      3.58594056676153     -0.33833422909477
  C           1.02314160467910      3.25180533191627      0.37049420996126
  C          -1.11432382516638      4.96369928854872     -0.23994031507192
  H          -2.24921127111344      3.17556517002381     -0.64857389430630
  C           1.18532122292776      4.62831694948697      0.46790194662794
  H           1.85412788814904      2.59600863048466      0.64318641672121
  C           0.11962683850134      5.48244966244841      0.15935133112501
  H          -1.94499520814421      5.63452792987367     -0.47127310087747
  H           2.14133874255875      5.04227080134741      0.79718072584328
  H           0.25248422999217      6.56461616635631      0.24158472781441
  C          -0.44757615988141      1.28121802313610     -0.16160361132017
  C          -0.22156864953473     -5.38318320171960      0.10443743464920
  C          -0.37195555883793     -6.58190433577107      0.16223792388920
  H          -0.50538327113287     -7.65041158548386      0.21358868320820
*

