#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts9.hess" end

* xyz 1 1
  C          -0.04168237085112     -3.95835981490667      0.03968173960788
  C           1.20219064646902     -3.42715041194995     -0.33147843033346
  C           1.36469357747125     -2.04845114851629     -0.39097642375331
  C           0.28952498092561     -1.19205790626046     -0.08922168286691
  C          -0.95196683690137     -1.73557821827112      0.29530876964593
  C          -1.11793315825290     -3.11129678676668      0.35759421920329
  H           2.03187801395506     -4.09648518221766     -0.56775262643544
  H           2.33451752915360     -1.63184920277460     -0.67784370794327
  H          -1.78891534064079     -1.09016376513648      0.57252356849190
  H          -2.07414660210622     -3.54181207968957      0.66202356249712
  C           0.52248120121736      0.24859978152741     -0.16375977409972
  H           1.56889852190111      0.57585561930795     -0.21063296283824
  H          -0.01092426354106      0.81555827220443     -1.29239428386345
  H          -1.50384933474694      0.94082963707989     -0.19000462422531
  C          -0.21370038285387      2.70888180177017     -0.05071873972792
  C          -1.27227180328571      3.58001609671191     -0.36191869618425
  C           1.01941822835319      3.23079474212244      0.38125563567353
  C          -1.09528522186132      4.95707504144683     -0.26054477544119
  H          -2.23630889413680      3.17709077428469     -0.68705706875409
  C           1.18943143763773      4.60689281483147      0.48203940921093
  H           1.84254853453962      2.57064942121763      0.66779031386627
  C           0.13521562731416      5.46852568495647      0.15762795688663
  H          -1.91838029733617      5.63280605065903     -0.50449809896781
  H           2.14317860514994      5.01351726493909      0.82676939468669
  H           0.27381114939329      6.54970499442007      0.24233677952259
  C          -0.45542437868864      1.26400226268214     -0.17823444229077
  C          -0.21816171736186     -5.39078348757231      0.10662097501145
  N          -0.36148632091618     -6.53699819609984      0.15897509342092
*

