#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod3Frz.gbw" end

* xyz 1 1
  C          -0.73343282878091     -2.71170277482142     -1.42676995161497
  C          -0.01661449352081     -2.62109122664440     -0.22911401831756
  C           0.60164567186771     -1.44321824012491      0.10393998610323
  C           0.51261695095410     -0.32388910663274     -0.77000486623072
  C          -0.22215837024736     -0.43961792257681     -1.98147429066442
  C          -0.83762176152204     -1.62652132667461     -2.29959072183622
  H           1.15856150296967     -1.35724696310531      1.02988546907610
  H          -0.29825738339494      0.40552605309585     -2.65331437791977
  H          -1.39984895854300     -1.72746818984778     -3.21929479770772
  C           1.16268314913102      0.84658905670589     -0.39553945201021
  H           1.68817897377544      0.82529599444964      0.55870389622789
  H           2.22315929586820      2.47068080044540     -1.14415115660434
  H           0.78411899702290      2.08750615218047     -2.09731143420070
  C           0.40443497845993      3.14878380654995     -0.24177149054991
  C          -0.98404048285875      3.07479304991953     -0.17524656619867
  C           1.08767276135331      4.12402076617491      0.47921270434585
  C          -1.68889962093277      3.99934897832261      0.58391141439663
  H          -1.52042054096162      2.30937446922094     -0.72829787950948
  C           0.38049296774486      5.04503352242906      1.23768274961445
  H           2.17019548994457      4.17976987416911      0.43041077658424
  C          -1.00686008467245      4.98285599574313      1.29034123634496
  H          -2.77073402303759      3.95154260146746      0.62442187191218
  H           0.91253114521156      5.81554531836525      1.78313707734836
  H          -1.55882456156850      5.70380071826515      1.88197967267659
  C           1.18081173017075      2.13983024074650     -1.08461194984640
  H          -1.21927064356845     -3.64905555754620     -1.67964318955865
  C           0.05587695095533     -3.83916404186867      0.67168173881672
  F           0.75087187441557     -3.58101588870895      1.78556645005929
  F           0.64633921677293     -4.85796527150195      0.03245908955792
  F          -1.17539051300862     -4.23330086819715      1.02410878970532
*

