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

* xyz 1 1
  C          -0.10339052949361     -2.99879208641250     -0.28856562622628
  C           0.70424182509317     -2.52956663179245      0.77273970762768
  C           1.19054772109272     -1.25598419825765      0.75502621811655
  C           0.90049744637105     -0.36933817767636     -0.32876014733630
  C           0.08314761279421     -0.85536360561080     -1.39543757875605
  C          -0.39907765498019     -2.12940187417113     -1.36800995127710
  H           0.93781973235794     -3.18213819891199      1.60424964930618
  H           1.80837667193255     -0.89525379597988      1.57057843674054
  H          -0.15229435069044     -0.21018403507864     -2.23222497353087
  H          -1.01665400916317     -2.49660625913005     -2.17897598552727
  C           1.42312932172562      0.90354841933314     -0.29967158903583
  H           2.03850945173882      1.16038893837777      0.56093786961736
  H           2.13691566940646      2.49700581395268     -1.48341771334636
  H           0.70733252779112      1.70039553360381     -2.16959903342508
  C           0.30610680691821      2.97963841050756     -0.45429068556246
  C          -1.05069178200220      2.70554440048327     -0.30319810514384
  C           0.85625009213460      4.10716914088581      0.14812762673054
  C          -1.85950837520845      3.57088866322415      0.41958676127235
  H          -1.48192951825395      1.82070739851539     -0.76175865344259
  C           0.04679003205440      4.96953739739396      0.87448638480514
  H           1.91327038987684      4.32450196529844      0.03251259223113
  C          -1.31034877751738      4.70258721821730      1.01007690296300
  H          -2.91815978622486      3.36266802353386      0.52186587341338
  H           0.47514525086351      5.85515771582832      1.32914631844819
  H          -1.94129328756532      5.37898929508085      1.57485902000062
  C           1.18755424540112      2.01234933407202     -1.24456770541114
  C          -0.64196863966497     -4.35177265049406     -0.30900748866173
  C           0.16758697799172     -5.50190607376720      0.28686783633077
  C          -1.03806158787922     -5.03352185240276      0.99914674176463
  H          -1.24585008040727     -4.59097836369362     -1.17461556956740
  H           1.14287235287081     -5.25742136565302      0.68832493115098
  H           0.12015354017699     -6.43362511543672     -0.26145833489762
  H          -1.93670285633203     -5.63468063658355      0.95373025053173
  H          -0.92024994320881     -4.45615600725592      1.90736358009716
*

