#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod1.hess" end

* xyz 1 1
  C          -0.36116734159770     -3.64753216329856      0.40206771555031
  C           0.89692454897406     -3.16015157362626      0.82039145408533
  C           1.35526736472329     -1.94077777567286      0.37231338863583
  C           0.56713810720469     -1.14760921193743     -0.52098354251825
  C          -0.70696694912806     -1.65143055988520     -0.93679458765608
  C          -1.15166387055502     -2.87039172801747     -0.48129546195609
  H           1.50389128151184     -3.75764081965709      1.50500260434788
  H           2.32915385129325     -1.56432550125590      0.69890110627370
  H          -1.32848526435533     -1.07103077591722     -1.62177962683367
  H          -2.12458039061415     -3.25204019776729     -0.80106911640724
  C           1.07778998698064      0.07149661449356     -0.95991375578911
  H           2.07747707480858      0.34499798073550     -0.59701009104641
  H           1.10508795833010      1.50470138207539     -2.52638551685252
  H          -0.50202641507538      0.75273008446943     -2.27684041616443
  C           0.11062792116866      2.17155792422642     -0.72051813504867
  C          -0.97351024904196      2.00502199749271      0.15139320270428
  C           0.93882940955304      3.29475530053066     -0.59434523670040
  C          -1.25041053970432      2.97293828910323      1.11632045573436
  H          -1.61512165047821      1.12164370613676      0.07053959283565
  C           0.66217041209086      4.25846512611648      0.37414097081676
  H           1.78866516305591      3.42935706868555     -1.27061322374117
  C          -0.43205393313681      4.09889553816840      1.22854985434168
  H          -2.10725895278915      2.84767737239250      1.78319188614360
  H           1.29955164025111      5.14240256374329      0.45814148611157
  H          -0.64803908194469      4.85720896765666      1.98571120110152
  C           0.40956758006816      1.10046748254454     -1.77635034761620
  C          -0.84498163301119     -4.98725679957558      0.86016251456585
  H          -1.94102506154335     -5.01649612897654      0.93734096116951
  H          -0.54700538087654     -5.74627012857626      0.11503688745790
  H          -0.39923601616232     -5.27408144440743      1.82246048645450
*

