#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod12.hess" end

* xyz 1 1
  C          -0.10437991993664     -3.00954171154249     -0.28926066076304
  C           0.70461764489741     -2.53832698819736      0.77924445998285
  C           1.19652992189609     -1.25781337889690      0.76472919098143
  C           0.91084795936615     -0.36525081822555     -0.32371015481928
  C           0.09182716470696     -0.85285194777464     -1.39745117062609
  C          -0.39570333039971     -2.13397652099986     -1.37282056474549
  H           0.93845455097788     -3.19509804415426      1.61948020102485
  H           1.81750575661800     -0.89961526513745      1.59101077484924
  H          -0.14308619277195     -0.20285431915829     -2.24273330348652
  H          -1.01627842210693     -2.49996438030971     -2.19392551862984
  C           1.43854384265688      0.91510008808862     -0.29624679386656
  H           2.05824825581985      1.17459260093507      0.57232573759770
  H           2.15941543367843      2.51490531049511     -1.48230076419732
  H           0.72618663400813      1.70805185784055     -2.18070261502328
  C           0.31530053912504      2.99026758659579     -0.45621947118223
  C          -1.04187806714900      2.69356927116842     -0.27671637228372
  C           0.85454015673758      4.14603730184171      0.12144792704462
  C          -1.85949118265743      3.56039380205868      0.44798575095298
  H          -1.46891439790928      1.78531146950447     -0.71451960981543
  C           0.03601344356562      5.00965001554719      0.84918165540073
  H           1.91405207043978      4.38415901469818     -0.01398892792873
  C          -1.32034067334603      4.71835985306817      1.01234296096111
  H          -2.92102330391305      3.33152558150776      0.57251603050194
  H           0.45834308685947      5.91847684555486      1.28562063704074
  H          -1.96027994252317      5.39811727235646      1.58102503400950
  C           1.20313606932301      2.02442649641376     -1.24471402026199
  C          -0.64734016526254     -4.36918663153822     -0.31167608022539
  C           0.15393210744162     -5.52672097929252      0.28227216842888
  C          -1.05552202156773     -5.05605793726955      0.99072002375802
  H          -1.25266511428962     -4.60159799487051     -1.19119874264951
  H           1.13887690987358     -5.29072319020576      0.69513101732776
  H           0.10942732256265     -6.46579614729523     -0.27550538103468
  H          -1.96665247016128     -5.65797711169335      0.94046997982554
  H          -0.94217717655977     -4.48120426111314      1.91425416185122
*

