#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightscf tightopt
%pal nprocs 4 end
%maxcore 8000
%geom inhess read
inhessname "inithesssm15.hess" end

* xyz 1 1
  C          -0.61288731780132     -3.12684540594777      0.12911307532940
  C           0.77662110742153     -3.14253779004414     -0.02963230455149
  C           1.54556149054946     -2.02208185433379      0.26426270452413
  C           0.91676237605431     -0.86705154584305      0.74373702913668
  C          -0.47544129699847     -0.82907370710271      0.89081757982366
  C          -1.22583245112305     -1.96176836074455      0.59575008849446
  H           2.62880259503040     -2.08815713900955      0.13771743359891
  H          -1.00336857566033      0.05880957930732      1.24735307530334
  C           1.73848898389540      0.38632241781639      1.06020362094043
  H           1.42820797361045      0.85056460486935      2.00372785020107
  H           2.80503279099892      0.12373317314165      1.11749849305634
  H           1.94153806705699      0.84516135509341     -1.06027844552079
  C           0.66098557313725      2.33710457877522     -0.24641307813280
  C           0.46832698691852      2.90623381300164     -1.54499996427465
  C           0.02271548793172      2.94233694662942      0.88280909383946
  C          -0.32630687015679      4.02553706139430     -1.70626510532322
  H           0.95630556579644      2.44346835807279     -2.40786541914630
  C          -0.76842549337058      4.05888968199194      0.70916156693009
  H           0.16483361890168      2.52754760887699      1.88287715168430
  C          -0.94089277570548      4.59534041879452     -0.58102227002798
  H          -0.47658314524543      4.46349204997767     -2.69545040622669
  H          -1.25760026384445      4.52977395309714      1.56479662142189
  H          -1.56995734051006      5.48194499756794     -0.70817650882250
  C           1.48103196608607      1.21323801696606     -0.13352687883923
  F          -2.54131528491431     -1.94907610340291      0.74289053601222
  F          -1.33095079952376     -4.19405145553221     -0.15682062759211
  F           1.34933016146488     -4.25057613341312     -0.46775825183861
*

