#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm6.hess" end

* xyz 1 1
  C          -0.21874017991816     -2.83008041401708     -0.12113146567709
  C           1.02356143213317     -2.65400435038627     -0.80470762326196
  C           1.72249149000791     -1.49597212259833     -0.64425899288856
  C           1.23162289446457     -0.43197607195369      0.19913405890583
  C          -0.02579799605652     -0.64100243091682      0.86651947463374
  C          -0.73509839785946     -1.80131440877621      0.72131123806322
  H           1.37811030231294     -3.46758657907955     -1.44037734217201
  H           2.67801688646470     -1.35995896656849     -1.16068566703053
  H          -0.42657041077637      0.16443890070617      1.48842281728855
  H          -1.68689712213295     -1.92725172443383      1.23713946863404
  C           2.27041030544161      0.53292872913701      0.85613144708266
  H           1.99683426014872      0.85267793623360      1.86392051933682
  H           3.30816985340209      0.21119304409530      0.74251947898829
  H           2.07737433867854      1.04275242549077     -1.24737807340657
  C           0.48052918812346      2.10646576442161     -0.19127472565742
  C          -0.38604211355804      2.27427235386221     -1.28111668485286
  C           0.32311729857629      2.91039336783010      0.94414420485291
  C          -1.40544894062001      3.22177030848168     -1.22909898288472
  H          -0.25967527342950      1.65702272408340     -2.17613682310288
  C          -0.69858424465978      3.86122576946455      0.99396184181592
  H           1.01158889186427      2.82024271600434      1.78868806901482
  C          -1.56503394746407      4.01464768331066     -0.08864263220138
  H          -2.07585886007570      3.34823751103428     -2.08312241740215
  H          -0.80940430034924      4.49223403359208      1.87954701954323
  H          -2.36192611091203      4.76195172543456     -0.04941711719495
  C           1.56107198417659      1.08042805897432     -0.28296174869092
  O          -0.82101595658301     -3.96702562772780     -0.33179920674639
  C          -2.07332652445346     -4.28447009622053      0.29345997437502
  H          -1.96280345871210     -4.28717625225436      1.38800696618712
  H          -2.84778565099396     -3.56858234140536     -0.01966512436669
  H          -2.33113670724054     -5.28958464581832     -0.05756230118506
*

