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

* xyz 1 1
  C          -0.54015388462938     -2.16829420144748     -0.23612192295678
  C           0.83305498259761     -2.25174065125401     -0.01850866268161
  C           1.52603178287126     -1.19385730297844      0.54073442298116
  C           0.84012547249053     -0.03421267096150      0.90101974786554
  C          -0.52372332974921      0.06129046712250      0.67103992443071
  C          -1.21062303389564     -1.00982909196577      0.11095879942129
  H           2.59293515206275     -1.27902861051780      0.71041273705275
  H          -1.06716183605526      0.96377157918491      0.93140781979612
  C           1.58773950991197      1.15652633045205      1.50884045587957
  H           1.03775599031255      1.58638969761004      2.34254448055236
  H           2.57154715733108      0.83162540968499      1.85344200693208
  H           2.42927783644211      1.72544135839629     -0.40901426035887
  C           1.03899163444870      3.23291381483183      0.09192420285386
  C           1.27327270334229      3.88042665248645     -1.15576456325186
  C           0.10991702989776      3.80290776727608      1.01029853546206
  C           0.60696133193558      5.03957681796109     -1.47157246142074
  H           1.98153919703342      3.44244348571304     -1.85092345112421
  C          -0.54977371791618      4.95899428128989      0.68342398239165
  H          -0.07211500265346      3.32795485794435      1.96589098235891
  C          -0.30090807796391      5.57123114350796     -0.55319281577142
  H           0.77862748598872      5.53627225151785     -2.41817288393177
  H          -1.25767886970454      5.40285002033690      1.37217172794389
  H          -0.82870606306071      6.48618044089792     -0.80199385996562
  C           1.73415353478299      2.06442162241438      0.35784845916989
  C           1.54748090736077     -3.53341045980889     -0.39280849986566
  F           2.87979036814847     -3.40853014441111     -0.28522999606104
  F           1.26767380546324     -3.88246474918809     -1.65839878426997
  F           1.16382227297706     -4.54416339313199      0.40111836088358
  H          -1.07521499232401     -3.00035476116053     -0.67701615635933
  C          -2.69983553556722     -0.86398349081329     -0.10921522685536
  F          -2.96046131191143      0.21444053413478     -0.87707044793676
  F          -3.33903070234652     -0.67709347171094      1.05894757088098
  F          -3.23093279762141     -1.93283453341349     -0.70742522404542
*

