#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod2.hess" end

* xyz 1 1
  C          -0.25223362115379     -3.17797998827742      0.16793995682726
  C           0.36425342906479     -2.63836267737924      1.31337293748392
  C           0.92901366622173     -1.38380191569041      1.23485666563468
  C           0.89433394745270     -0.63669624060671      0.01644480096397
  C           0.26185569665892     -1.21725583168413     -1.12757460714111
  C          -0.30286211598422     -2.46954092984432     -1.05324731570087
  H           0.38471545036996     -3.21749278600414      2.23841054581060
  H           1.41039781152551     -0.94804092120982      2.11517678356450
  H           0.23009592249463     -0.67312635855164     -2.07366405794864
  H          -0.78496268894629     -2.92897267109714     -1.91826626589084
  C           1.49814458526651      0.62344364250507     -0.01221691998705
  H           1.99104868040384      0.95140021759856      0.91237648700893
  H           2.44280392445831      2.12551752178170     -1.18968713022356
  H           1.15555467835528      1.23157809845646     -2.06593761174212
  C           0.43841967585287      2.59030545753415     -0.49575716853905
  C          -0.93038431099869      2.31568774580026     -0.62241748629220
  C           0.85926386645739      3.72544469945520      0.21197415759399
  C          -1.87142397488697      3.19311639053585     -0.08612580405541
  H          -1.26636374690249      1.42040308757029     -1.15512135781559
  C          -0.08418794574093      4.59732377506929      0.75197466963208
  H           1.92669629889029      3.94249064908273      0.31835166988737
  C          -1.44845273806097      4.33268653914344      0.60208458531305
  H          -2.93812812066286      2.98656273943771     -0.20395323638598
  H           0.24597595374374      5.49161265914065      1.28650675431246
  H          -2.18637607901030      5.01933034149998      1.02509900391892
  C           1.47084122594207      1.62199498933739     -1.09135624444159
  Cl         -0.95159391081099     -4.72382484360376      0.25272576821227
*

