#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000

* xyz 1 1
  C          -0.20290095785725     -2.11598019955963     -0.01356230557460
  C          -0.06521058098096     -1.43267441589976      1.19281721593059
  C           0.52441902516040     -0.18529366268851      1.22817393399823
  C           0.98047372570047      0.40394210636396      0.04455720280326
  C           0.85694560899096     -0.28144088005813     -1.15841475816465
  C           0.26260582088944     -1.53661799887598     -1.18098404721808
  H           0.62729857301361      0.33595104032216      2.17278048379337
  H           1.23213015979293      0.13831610189687     -2.08426893965016
  C           1.60982654060047      1.73134594109878      0.12051225004723
  H           2.08720457898642      1.96679714406012      1.06432766815712
  H           2.71097900950634      3.29535512094023     -0.90315222682422
  H           1.66843516479288      2.26434457027383     -1.98852472614063
  C           0.59984401575248      3.12058383997489     -0.24183909207067
  C          -0.67609508922821      2.81084440489590     -0.76480447542076
  C           0.73471960209799      4.14802696765968      0.71961459200101
  C          -1.77462121826297      3.52908471527102     -0.35756888280981
  H          -0.78238976790620      2.00059104258507     -1.47690716847875
  C          -0.37204361879659      4.85351076537728      1.13316806293837
  H           1.71642356318958      4.37899720960501      1.12066595941541
  C          -1.62059419787989      4.54346755089194      0.59179877759666
  H          -2.75449281606998      3.30529992916212     -0.76042740623759
  H          -0.27627586766381      5.64250770530208      1.86850679351712
  H          -2.49319701941121      5.09770191713700      0.92063641909170
  C           1.88427344661254      2.60080724212169     -0.98267726196882
  H          -0.66468708262313     -3.09578604359714     -0.03630398710449
  C          -0.59293719239430     -2.07968151612981      2.45652331425200
  F          -0.26566806403401     -1.37192317743186      3.54863019169419
  F          -0.10339721721758     -3.31808930329438      2.60167072705889
  F          -1.93234692613206     -2.17308084307252      2.41439836279217
  C           0.16001814918053     -2.25799987758618     -2.50830506636459
  F          -0.34295397078041     -1.43634076401595     -3.45125463411718
  F          -0.62811055829456     -3.33354020526995     -2.43437606135597
  F           1.37112816126607     -2.65386642745986     -2.93080191558633
*

