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

* xyz 1 1
  C           0.03012241381596     -2.38250686356525      0.08074630646373
  C           0.53916625951328     -1.61601057284220      1.11835417851837
  C           0.98636905940035     -0.32769243827270      0.89658376778840
  C           0.92420957265217      0.19733601287121     -0.39250035646266
  C           0.43442207081967     -0.56420573632974     -1.44991126251622
  C          -0.01243028170501     -1.84945070837200     -1.19647285271192
  H           1.36975059306568      0.24583454334742      1.73201643750610
  H           0.41648457079219     -0.20727906759233     -2.47145209204101
  C           1.41744727011740      1.57760174114541     -0.60937982882004
  H           2.26458307540158      1.86623235022064      0.00136061363367
  H           1.83657771591856      3.14829689898386     -2.05469361794146
  H           0.50364097091113      1.99648477372076     -2.54317141933582
  C           0.27956186806213      2.82943714230602     -0.48957169949312
  C          -1.07826538611585      2.43117023745369     -0.41230684326375
  C           0.72815840034673      3.94308314036645      0.26432438042185
  C          -1.95444785050948      3.13576915629619      0.37547332680804
  H          -1.41211893618995      1.56223360981888     -0.96773515229614
  C          -0.15219524982134      4.63577983256192      1.05976826289005
  H           1.76929638970608      4.24337884300285      0.20192200370686
  C          -1.48871014079819      4.23082019571159      1.11026866771271
  H          -2.99509914701400      2.84285610823938      0.43603942773287
  H           0.18250715147067      5.48699391415719      1.63918978773526
  H          -2.18252591574275      4.77705198232558      1.74076782626664
  C           1.12743038785352      2.38937456368410     -1.75110433677515
  N          -0.45665245701166     -3.75034970289417      0.33319471408830
  O           0.37490270854012     -4.56123455123759      0.66359917170563
  O          -1.64430238572430     -3.92406611377703      0.18563019878862
  F          -0.46930035879577     -2.59304499419828     -2.19549360930921
  F           0.57482963104109     -2.12483429713185      2.34233199919940
*

