#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod11.hess" end

* xyz 1 1
  C          -0.83740850129113     -3.51725067138814     -0.21076878345497
  C          -0.02463230447670     -3.12774585325499      0.86786173570592
  C           0.68595119254813     -1.93240407829286      0.76827178258896
  C           0.58247522005761     -1.13070263609479     -0.39741384596632
  C          -0.24450317169070     -1.54575556204513     -1.47798812524013
  C          -0.94224851082524     -2.73553595914682     -1.36983823439333
  H           1.31930722997845     -1.62616303599034      1.60473809857646
  H          -0.31887993724111     -0.94841041061519     -2.38785983635137
  H          -1.57746565657901     -3.07917674270418     -2.18947017118997
  C           1.35114792377091      0.05291048558524     -0.44843420699840
  H           2.02479076266314      0.23488049081147      0.39870996372512
  H           2.27472247738374      1.56966270144076     -1.64308776455715
  H           0.78777484710435      0.86352948338938     -2.38164368336527
  C           0.44595568561504      2.06474326187787     -0.56691385247991
  C          -0.95125268834070      1.93659765719131     -0.54130766718368
  C           1.07488219500603      3.03081482520807      0.23574884891203
  C          -1.71561687515436      2.80426606380006      0.23520340774303
  H          -1.44399832292331      1.16413275214683     -1.13932674621321
  C           0.30707970086683      3.89135117260044      1.01591088459021
  H           2.16507425784454      3.12737779822623      0.22661053519631
  C          -1.08684172858843      3.77965467053234      1.01388562569803
  H          -2.80494015146896      2.71759785423454      0.23700653682591
  H           0.79598434303595      4.65652200898913      1.62395116584640
  H          -1.68740433630160      4.45653064922407      1.62735797569995
  C           1.29175465146197      1.12315271632641     -1.44458010854583
  H          -1.39793626620163     -4.45616132605601     -0.14707577376637
  O           0.10994544221183     -3.84192672027939      1.99405110219842
  H          -0.41297754846563     -4.65337028571631      1.96709631639915
*

