#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts7.hess" end

* xyz 1 1
  C           0.12876465621048     -3.89010308116091      0.02507376005122
  C           1.36434624562290     -3.29895633095287     -0.29058134055016
  C           1.50342566188179     -1.91832780277320     -0.34854287163341
  C           0.40198479723947     -1.08333646648112     -0.09512701746045
  C          -0.83724675547975     -1.66680408566900      0.23571131719714
  C          -0.96774388976496     -3.04426733874865      0.29286605009357
  H           2.22820207544208     -3.93776365486209     -0.49132786283873
  H           2.47618050747551     -1.48238946956037     -0.59570260733277
  H          -1.70393500422316     -1.04590205334637      0.47805760620396
  H          -1.93416831128795     -3.47271417780881      0.56449265114538
  C           0.60104143041474      0.36631624306351     -0.17237043672178
  H           1.63810054432941      0.72181894330786     -0.13403620557528
  H           0.18275775235534      0.84573187060126     -1.29207240730917
  H          -1.43930673696170      0.99958004322683     -0.27688591585640
  C          -0.21939238524587      2.79693765828414     -0.04946474779094
  C          -1.30557542029795      3.63240330456665     -0.37287328305088
  C           0.98868523521406      3.36404369116863      0.40339409920060
  C          -1.18100493641862      5.01389247066480     -0.26435709849557
  H          -2.24869758593842      3.19439188161564     -0.71335439424346
  C           1.10642434559294      4.74401713321885      0.51035520190844
  H           1.83035002767801      2.73180827135200      0.69768418556557
  C           0.02474671796261      5.56712242127374      0.17337552612019
  H          -2.02401415767160      5.66092353393389     -0.51771840986578
  H           2.03936223858554      5.18528902745071      0.86899972551015
  H           0.12260124752051      6.65242337068782      0.26341504122063
  C          -0.40611965693691      1.35521521730285     -0.17775870199666
  C           0.03315536175571     -5.36312530164087      0.07469650649205
  C          -1.07349239404250     -6.07198675253296      0.32350064791018
  H           0.97044914656036     -5.89591533648965     -0.11786378154379
  H          -1.04261893191470     -7.16471596512536      0.33660294885919
  H          -2.04513791565734     -5.60958302456698      0.52055014478697
*

