#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts4.gbw" end

* xyz 1 1
  C           0.05217147067104     -3.04574408981778     -0.01215935422545
  C           1.26373799851263     -2.50670457545644     -0.41583088946107
  C           1.41032625433752     -1.12895165713730     -0.46010602743818
  C           0.34373656501747     -0.29704425157955     -0.11016952572771
  C          -0.87201234716302     -0.85526735201194      0.30924971136443
  C          -1.01476770320408     -2.22620279590543      0.35536037158262
  H           2.08560696448877     -3.15538616066968     -0.68907277331910
  H           2.35606141839850     -0.69815200994150     -0.77137687539196
  H          -1.69596291082444     -0.22693238900787      0.62590648288948
  H          -1.94658086469930     -2.66873342364300      0.68660823874151
  C           0.55610416519124      1.14262433668809     -0.17430301008793
  H           1.58725713993901      1.48543156639779     -0.22974330157288
  H           0.00899335914008      1.69703563127127     -1.28815048453110
  H          -1.47004512168399      1.79691461241714     -0.17581289827115
  C          -0.21341507651045      3.57779245341052     -0.04094684260533
  C          -1.26869350813877      4.43162702215712     -0.37514017308470
  C           0.99910714202749      4.10750404287055      0.41293342088803
  C          -1.10677256067735      5.80357990166299     -0.27783784992190
  H          -2.21351199286684      4.01902253008526     -0.71411411713007
  C           1.15365870613514      5.47839483598988      0.51147307948656
  H           1.81205452364633      3.45870428786627      0.71915362477376
  C           0.10436229830600      6.32466500615249      0.16155091644123
  H          -1.92343494590796      6.46543037887551     -0.53911954142304
  H           2.08735591744227      5.89188125494782      0.87300849267576
  H           0.23031407604417      7.39806684587518      0.24435884917461
  C          -0.43626166262384      2.13548886579838     -0.16821551151846
  C          -0.14784991344707     -4.54837175229263      0.05677183732560
  F          -1.15540462295473     -4.92240198959895     -0.74744940015449
  F          -0.46404301306956     -4.92136435589264      1.30652198928660
  F           0.94955724447376     -5.21765276951153     -0.31228343876565
*

