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

* xyz 1 1
  C          -0.21384113130600     -2.61418538965382      0.00674894044205
  C           1.16351632938183     -2.49209179337186     -0.09083483812956
  C           1.80137099484939     -1.30415081051704      0.22340438723770
  C           1.03791836562719     -0.23143124278926      0.66710253481492
  C          -0.34628314135752     -0.33202551259060      0.76805539080730
  C          -0.95779970326798     -1.52787282580231      0.43710637990910
  H           2.87973689242037     -1.25082573776889      0.13601914044177
  H          -0.96334206104979      0.48986081632683      1.11133757830581
  C           1.70596183891500      1.09939701246710      1.01146948167738
  H           1.35635693797390      1.48080580797991      1.96816646263337
  H           2.78894928855966      0.95900107645462      1.05940012671882
  H           1.83644562357052      1.68348226034447     -1.07578414954828
  C           0.54242236858080      3.07466736150249     -0.15954429682482
  C           0.32849775122463      3.71937883684528     -1.41445588350854
  C          -0.11090285654417      3.57906890428302      1.00451753993733
  C          -0.49839216502781      4.81217560932856     -1.50059071945461
  H           0.82687472216853      3.33165057330709     -2.29650689037543
  C          -0.93407123407841      4.66965747927988      0.90507461872193
  H           0.04516790531211      3.10504027371014      1.96512071946482
  C          -1.12503866438189      5.28055229517812     -0.34311696875243
  H          -0.66638227483181      5.30626799801531     -2.44920722330721
  H          -1.43504283199032      5.06369429983620      1.78045234679698
  H          -1.77919402185171      6.14390952492495     -0.41009684594514
  C           1.38570695089617      1.97964833247236     -0.12947671425019
  N          -0.87902465073852     -3.88025654877699     -0.34644580021729
  O          -0.61248421949409     -4.83604326700985      0.34279397215338
  O          -1.62891025728281     -3.83976580141356     -1.29480652660616
  F          -2.27600213199914     -1.64228637325892      0.54638003476624
  F           1.87764937572187     -3.52730315930323     -0.51124079790924
*

