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

* xyz 1 1
  C          -0.23889865424879     -1.85681015031378      0.05859773836628
  C           1.12576490021804     -1.84863061933850      0.32254417436496
  C           1.71380975483459     -0.67974190932174      0.78498095144784
  C           0.94772135554552      0.45735674465430      0.99953187828989
  C          -0.41307375108961      0.43079656174716      0.72643488457074
  C          -1.01943888369161     -0.72390110699566      0.25595548175338
  H           2.77785652533476     -0.67311938059320      0.98742819161071
  H          -1.02450955586314      1.31032531940774      0.88867239752663
  C           1.58785637598497      1.75244887000371      1.49964360572138
  H           1.00340679008065      2.19356969401489      2.30394993840734
  H           2.59491563660320      1.54077049317409      1.86737117553813
  H           2.38838351660870      2.26439950602784     -0.45502378609803
  C           0.93243715703098      3.72522988948003     -0.01719172330772
  C           1.13962005463849      4.32987387546766     -1.29371519439887
  C          -0.02937291726318      4.28917367029815      0.87434808904438
  C           0.41853358538921      5.43894213562932     -1.66079705813144
  H           1.87168233093149      3.89741023112174     -1.96740504782625
  C          -0.74313753499792      5.39502030944129      0.49549891461443
  H          -0.19287990182081      3.84784589607252      1.84922007820516
  C          -0.51828949240346      5.96417650345710     -0.76706823349659
  H           0.56859228669431      5.90235469329346     -2.62772480503204
  H          -1.47561529651769      5.83352503369717      1.16160534927619
  H          -1.08958524401921      6.84031081719546     -1.05666836443017
  C           1.67986817748410      2.60678904348168      0.29817900545383
  C           2.00700454389465     -3.07895007259873      0.13591074390479
  F           3.29339083826438     -2.70844290411577      0.00347124325705
  F           1.66955131660938     -3.76367433516668     -0.96090908519370
  F           1.92691375881308     -3.89167361360911      1.19133985520992
  C          -2.51190048758878     -0.68528310124560     -0.04672315721225
  F          -3.09708774085697      0.31570960510216      0.63929401406921
  F          -3.12107966009128     -1.82070646458094      0.29719732986623
  F          -2.73050016637509     -0.45657862103406     -1.34657001054771
  N          -0.87603328377408     -3.09641187966679     -0.44922220423200
  O          -1.25241022121467     -3.06454611560275     -1.59700432391946
  O          -0.95662411314422     -4.01212361858419      0.33281995332775
*

