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

* xyz 1 1
  C          -1.70378427133231     -2.23894052060873      0.26671550809859
  C          -0.33563519211114     -2.49262459730087      0.24791156116091
  C           0.56547019468601     -1.52110754488572      0.64777973674248
  C           0.09285643099278     -0.28375570965935      1.08049741855143
  C          -1.27265971696773     -0.01819625090277      1.07588584862318
  C          -2.17091349839580     -1.00143909029678      0.68335192466591
  H           1.62792600063498     -1.73535830855555      0.64219166595163
  H          -1.64124531256407      0.95155372754669      1.39480483632937
  H          -3.23542909512602     -0.80162095755537      0.70013754018093
  C           1.08251890207428      0.80551021146178      1.51499283367137
  H           0.68345730623986      1.40907716835109      2.32591449928081
  H           2.02356121348621      0.34708673773808      1.82250545392273
  H           1.80758301489609      0.99296850250063     -0.51738552162637
  C           0.69714603359949      2.74943209039047     -0.12789100958957
  C           0.88721448971931      3.18240239149347     -1.46910646881035
  C          -0.02091937299557      3.57885752341564      0.77770688762155
  C           0.37848920799509      4.38947097043075     -1.88771422296359
  H           1.43612705019389      2.54652149850414     -2.15545147227873
  C          -0.52330068605013      4.78146480392468      0.34965682195301
  H          -0.16300494714001      3.26775703495939      1.80477469169602
  C          -0.32389873986940      5.18148283897928     -0.97836136925099
  H           0.51926992617074      4.72460462234853     -2.90759662573975
  H          -1.06734115825301      5.42395762564890      1.03072272685785
  H          -0.72441947400216      6.13503185733439     -1.30650737633241
  C           1.24544294614715      1.52775912928529      0.24656095933454
  C           0.14490406074297     -3.85281084092538     -0.20785859340714
  F           1.48584715170317     -3.92279889646183     -0.24571325246392
  F          -0.31333787720655     -4.13353329630194     -1.43976683152799
  F          -0.29289675957377     -4.81905554024120      0.61407562863262
  H          -2.39888922769433     -3.00952131061776     -0.04616117928410
*

