#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithessprod3.hess" end

* xyz 1 1
  C          -0.85057817470894     -2.46949368950294     -1.17259495887410
  C          -0.07967497063351     -2.26821898450526     -0.01869508216800
  C           0.65086981549701     -1.10139324254528      0.12387056014989
  C           0.60942236298864     -0.10745523359409     -0.88987820727391
  C          -0.17848027680478     -0.32828703761526     -2.05187486694447
  C          -0.89874412665729     -1.50308464230325     -2.18670705369040
  H           1.26005345038033     -0.94554071743592      1.01791202145608
  H          -0.20642916443237      0.41639454832542     -2.85021920155007
  H          -1.49718221471400     -1.68442290554028     -3.08221407390076
  C           1.39581463649823      1.05708391408938     -0.71096674775629
  H           2.05083425186848      1.06979234703497      0.16929227985230
  H           2.36235896647872      2.76874140273637     -1.57100217509895
  H           0.90816053806863      2.21140995369593     -2.48781598082275
  C           0.48811075412140      3.01247221154742     -0.47589233655132
  C          -0.91068208407037      2.91052094809084     -0.55727934600735
  C           1.07695487946620      3.75932844543437      0.55988711304033
  C          -1.71145793682164      3.59783668132218      0.35001074245068
  H          -1.37453497668740      2.30412818307597     -1.34095380358721
  C           0.27164364464770      4.43864450641816      1.46959425597494
  H           2.16663254750811      3.83145099353183      0.63397149447272
  C          -1.12054181553906      4.35948972003298      1.36326611910072
  H          -2.79966162751887      3.53729312922934      0.27176557741528
  H           0.72942439105102      5.03609571932106      2.26177191567594
  H          -1.75111123354164      4.89299977825473      2.07952110459667
  C           1.38022508923447      2.28475586741928     -1.50239678438167
  H          -1.41433799842748     -3.40066546701525     -1.28416631650322
  C          -0.07600142301100     -3.32970748886940      1.06794442215298
  F           0.90590737145529     -3.11208286590812      1.94725034723195
  F           0.08987556541145     -4.54169706502072      0.53552286394913
  F          -1.23694417110734     -3.32364605970447      1.72744753759085
*

