#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod10.hess" end

* xyz 1 1
  C          -0.82364311561651     -3.56110252319252     -0.36069956808046
  C          -0.07273661227054     -3.23252097855147      0.78595712611505
  C           0.62846716285015     -2.03535386905512      0.76134428536594
  C           0.59080657989643     -1.17177583840370     -0.37496736817297
  C          -0.18012040547761     -1.54593406538692     -1.51414774039986
  C          -0.87933853134914     -2.73696043754677     -1.49595679643980
  H           1.22508376112159     -1.73697695350902      1.62888846234262
  H          -0.21194256503537     -0.90581248129291     -2.39788990827762
  H          -1.47184341616484     -3.04418756033811     -2.36073227996515
  C           1.34136995832555      0.01146315726350     -0.33201020673282
  H           1.94177344790316      0.17859477524220      0.57192164860823
  H           2.36030195877997      1.52924274786381     -1.42780295845665
  H           0.91599910863469      0.87517866188662     -2.27524801662367
  C           0.47939752846685      2.10592794370802     -0.50687923320280
  C          -0.91715365054702      1.98751156172056     -0.53797529271025
  C           1.07794422576426      3.10121252015931      0.27972372769887
  C          -1.70997965239914      2.88690774313140      0.17293489978550
  H          -1.39031453315206      1.19806008206966     -1.13016913658259
  C           0.28229916832879      3.99464153818325      0.99382713829377
  H           2.16789154741435      3.19466622660931      0.31212978896063
  C          -1.11054349086529      3.88902348088250      0.93944914471271
  H          -2.79890396848393      2.80442767649146      0.13057441024438
  H           0.75032965313867      4.78182909261584      1.59027355701414
  H          -1.73235652481743      4.59228388353615      1.49965817525728
  C           1.34983753313442      1.11743382942663     -1.29851367688815
  H          -1.38458363263252     -4.50180134154226     -0.36706003777388
  C          -0.04578172231561     -4.15634430221758      1.97638496362808
  H           0.58841969109297     -3.75813320840515      2.78015914787863
  H          -1.06027028267070     -4.30060508311465      2.37900828017787
  H           0.34259231894584     -5.14612825823402      1.69090943422294
*

