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

* xyz 1 1
  C          -0.47871817554477     -2.97234555765351      0.00649377438695
  C          -0.33766096526038     -2.42410457351832      1.28440758262028
  C           0.28450948918612     -1.21323766239257      1.45024016514953
  C           0.78098924354136     -0.52175131585862      0.31988437165873
  C           0.64070030028917     -1.07919187209364     -0.97376790699666
  C           0.01741517364673     -2.28861641723888     -1.11397124460621
  H           0.38377297249611     -0.80023442697320      2.44728659237720
  H           1.02290023646172     -0.58609546261062     -1.85752723914618
  C           1.42841487309177      0.70481332859553      0.53618791232939
  H           1.55375174431339      1.00923887349755      1.57271505554923
  H           2.78739445347639      2.18472305612944     -0.16976242376346
  H           1.93773804729480      1.30402787020000     -1.47699202666896
  C           0.65793885779166      2.60989075724913     -0.26384602547165
  C          -0.51538468870412      2.38834757893148     -0.98550719285521
  C           0.72630839234885      3.65313620069179      0.66193458882686
  C          -1.59300730342897      3.24454984607704     -0.82797014854189
  H          -0.57988730255335      1.56110509853146     -1.68463590242740
  C          -0.35679301121599      4.50205690004168      0.82189177961042
  H           1.63601851905461      3.81844129521102      1.23040554685000
  C          -1.51401133129148      4.29866815475262      0.07654148718663
  H          -2.49555802449690      3.09018306782478     -1.40709200072384
  H          -0.29795964223471      5.32617270427300      1.52271958423932
  H          -2.35990320131234      4.96440273427584      0.20280238253768
  C           1.86894500246844      1.67681777390875     -0.45920181650548
  F          -0.81650047897001     -3.10124869839549      2.31638370269334
  F          -1.06832457191233     -4.12791827775217     -0.14810049212960
  F          -0.13367208853581     -2.85212133570412     -2.30288100617905
*

