#
#Opt TS
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 8 end
%maxcore 8000
%geom inhess read
inhessname "inhessts5.hess" end

* xyz 1 1
  C          -0.11475293252517     -4.25195952446407      0.06748354045413
  C           1.13584928090489     -3.73322461915275     -0.31625128395500
  C           1.31580876088534     -2.36463411770815     -0.39230174030484
  C           0.26139342219569     -1.47521095891892     -0.09647783843276
  C          -0.98134738359603     -2.00467872169284      0.29806562360781
  C          -1.17133121151450     -3.37499358290216      0.37929435483306
  H           1.94483878177489     -4.43031416347576     -0.54337866921579
  H           2.29276295987714     -1.97111936009453     -0.68951037736421
  H          -1.81106185078072     -1.34782281762642      0.57327972342897
  H          -2.13698432641341     -3.77629446375060      0.70055470053347
  C           0.51527211150322     -0.03633085640224     -0.20144005618066
  H           1.56568785826666      0.27912307294484     -0.17376847202739
  H           0.12062538595850      0.43090957644827     -1.31369365868928
  H          -1.50018172169328      0.68055031646479     -0.26721688960689
  C          -0.20647526210926      2.42326276737752     -0.05455528396943
  C          -1.26504910440003      3.30283107142493     -0.35637592714575
  C           1.03310067885805      2.94203660558823      0.37359115171130
  C          -1.08268861337110      4.67776392558262     -0.25176478725687
  H          -2.23161194665951      2.90286302476073     -0.67737755524254
  C           1.20836892820156      4.31579936669776      0.47661397762466
  H           1.85387134500535      2.27578509153963      0.65117965449404
  C           0.15355782388190      5.18147877663070      0.16080595864509
  H          -1.90353952572442      5.35867377299827     -0.48848424038623
  H           2.16524380917609      4.71967456020042      0.81569205583826
  H           0.29692845937318      6.26200956542811      0.24779788466670
  C          -0.45239270179639      0.99386382491892     -0.17617106273325
  O          -0.23376151023445     -5.57966485425794      0.12862295992251
  H          -1.12196294504419     -5.84099756855935      0.40456014675090
*

