#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts13.hess" end

* xyz 1 1
  C          -0.97868268195666     -3.88345343995181      0.26992814966999
  C           0.36197036331481     -3.55465214391134      0.03021634202162
  C           0.74133353436784     -2.21845481568502     -0.06075005167072
  C          -0.21963688419871     -1.20074117858339      0.08034273254609
  C          -1.56234259150288     -1.54296589093658      0.33485764456410
  C          -1.93713512384082     -2.87990844238332      0.42602521874695
  H           1.79103617692403     -1.96493212018580     -0.24583784650153
  H          -2.31804876353217     -0.76800631000460      0.48814123250407
  H          -2.97796997457234     -3.14124661648100      0.63096244804934
  C           0.23082813172893      0.18745165103259     -0.02136649762230
  H           1.31112897612405      0.36139156405895      0.05993102012435
  H          -0.05771721583536      0.73350675976246     -1.21025706582703
  H          -1.65361082501312      1.15741304996366     -0.31937931632621
  C          -0.14585202111258      2.72849768011171     -0.08007735380249
  C          -1.02803948102040      3.72210066880285     -0.54093707954410
  C           1.09771869815593      3.09551178182628      0.46795990280920
  C          -0.66493700968411      5.06407306403145     -0.47261134861045
  H          -2.00051651315798      3.44111048222484     -0.95654757127246
  C           1.45403358448309      4.43729144704784      0.53451357646556
  H           1.78117927254441      2.34247583225677      0.86927016504149
  C           0.57581745695764      5.41937927314696      0.06131866132716
  H          -1.35072040327001      5.83460432359888     -0.83253701965597
  H           2.41500088832707      4.72457594228935      0.96786976370265
  H           0.86015739363353      6.47347534743872      0.11999124067522
  C          -0.57959013487117      1.33026771180859     -0.17677770522011
  H          -1.24544691799141     -4.94196681911454      0.34038062940583
  C           1.37367363698597     -4.65489167642456     -0.12145964026541
  O           1.08047239678170     -5.81747508168820     -0.05579771270348
  H           2.42489421123074     -4.31992730405175     -0.30092253863136
*

