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

* xyz 1 1
  C           0.21209490073485     -2.58557586739500      0.22181767009547
  C           1.32147739498424     -2.36219398925422     -0.58547977001711
  C           1.93190281644615     -1.11849722293668     -0.58541924807115
  C           1.44046704606601     -0.10378168481760      0.23254561781888
  C           0.31764751285842     -0.32861437057803      1.02354613773850
  C          -0.29147595401663     -1.57441049634417      1.02851445369649
  H           1.71243544311374     -3.16176683350869     -1.20274931779383
  H           2.80730379740756     -0.94826931664752     -1.20316583450066
  H          -0.07717349733030      0.46248121318817      1.65264759127096
  H          -1.15187884631335     -1.76030497812869      1.65895488740646
  C           2.10328139125039      1.27944596700019      0.23332616461092
  H           2.14001966577822      1.70653422794137      1.23223498558613
  H           3.11364861211680      1.20133058872718     -0.17178698575887
  H           1.31534571622541      1.69615838439385     -1.74114301125148
  C           0.25844709734297      2.95406716498271     -0.41151936420270
  C          -0.55531763272577      3.42224457216476     -1.48056737720186
  C           0.06204300538502      3.47946401146822      0.89641532148575
  C          -1.52445967206364      4.37013215146255     -1.25166091584236
  H          -0.40124709103550      3.01870476071024     -2.47560365488857
  C          -0.90723201795795      4.42550891529249      1.11307329810252
  H           0.68055580404654      3.14055979861432      1.71763829482107
  C          -1.69616215691105      4.86574694303679      0.04185816486191
  H          -2.14773931961373      4.73001815871048     -2.06053085654860
  H          -1.06367116788796      4.83614879692610      2.10278119700669
  H          -2.45970102967381      5.61492306704760      0.22394776092234
  C           1.23066126343818      2.00454131421122     -0.70027756496408
  C          -0.47614208892342     -3.93290718852982      0.17917374561205
  F          -1.15469554158308     -4.17925592179910      1.30951777000265
  F           0.40513384396930     -4.92794856221282      0.00018848603408
  F          -1.35437777512765     -3.98246346372598     -0.83998648603163
*

