#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod5.hess" end

* xyz 1 1
  C          -0.38887129260049     -3.72092526924011      0.13155351659439
  C           0.26957650983159     -3.21203076004172      1.28342122139535
  C           0.82468510544001     -1.96409615317219      1.23539459063949
  C           0.75709125187093     -1.15699660235475      0.04307538052558
  C           0.08145621985187     -1.70247920192450     -1.10448320065048
  C          -0.47686635983125     -2.95044722196453     -1.06342931617427
  H           0.31163885111313     -3.83755696385414      2.17722847005204
  H           1.33308350067189     -1.56017034551854      2.11571114857713
  H           0.01320693859393     -1.11817226052392     -2.02431099357144
  H          -0.98766166504066     -3.36498930557210     -1.93741397598094
  C           1.34293057962802      0.09424694541287      0.04482116366480
  H           1.83689382964719      0.40542941204104      0.97475362076725
  H           2.33821516489783      1.52410256912471     -1.15505424631373
  H           0.96339905640570      0.74610668817753     -1.98539443149232
  C           0.41003977585849      2.22026682749801     -0.46808148110748
  C          -0.97633950270084      2.02161834883864     -0.44550053640298
  C           0.94845692483920      3.40403701691106      0.04982588421614
  C          -1.81898962621131      3.00897581899132      0.06454983568588
  H          -1.40571958578622      1.09418544102069     -0.83892335466812
  C           0.10440087615368      4.38912957847791      0.56281055467647
  H           2.03049734182165      3.56708700923950      0.03575829110664
  C          -1.27841214695946      4.19306686330086      0.57024727293510
  H          -2.90102055480411      2.85418473006946      0.06727323309400
  H           0.52890157175272      5.31766914747335      0.95323426784870
  H          -1.93778163738666      4.96759954667504      0.97053118900773
  C           1.32204540177205      1.12276200431845     -1.01903675590687
  O          -0.90391751656368     -4.92370026419706      0.22826415033447
  H          -1.33512666226517     -5.21149909920689     -0.59090779885254
*

