#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod24Frz.gbw" end

* xyz 1 1
  C          -0.06550546870579     -2.44883352981427     -0.15496936159884
  C           0.15066174529222     -2.04472038481645      1.16176537365981
  C           0.60059896125195     -0.77131203301417      1.41652923395220
  C           0.84744145932219      0.12235513437878      0.34106046609081
  C           0.62337181984111     -0.30796809888648     -0.99354073849637
  C           0.16911570182379     -1.58096819672778     -1.22644816083566
  H           0.76926343214570     -0.44412518021981      2.43616174417020
  H           0.80483816670723      0.35802106061865     -1.82627104353481
  C           1.30685102170615      1.40284357089751      0.64444699642302
  H           1.43109658585307      1.63418800340165      1.70192306029421
  H           2.54557946495718      2.94130189553725     -0.00246955735451
  H           1.62141570745521      2.19863265359460     -1.31470596659231
  C           0.50359531373232      3.58010948749259     -0.06826382370518
  C          -0.78032829557586      3.37802432863032     -0.56684068720031
  C           0.80614388082906      4.73932360131595      0.64083839392778
  C          -1.74951079158983      4.35639593850584     -0.39052678124585
  H          -1.02291569216197      2.47036382809986     -1.11153427836847
  C          -0.16550073219771      5.71297153663590      0.81687365401393
  H           1.80588035219738      4.89405274665194      1.03313611366827
  C          -1.44236622762849      5.52155383221144      0.30213318742250
  H          -2.74458393865358      4.20860128331243     -0.79322877951104
  H           0.07585475662674      6.62455862465833      1.35067962867487
  H          -2.20049718870158      6.28376371755540      0.43894219225560
  C           1.57579537155124      2.51039837515093     -0.27234789376939
  H          -0.42265691943217     -3.45544711327009     -0.35322806264109
  C          -0.13341095603636     -3.02763554834779      2.28377497863737
  F           0.22003867750652     -2.52180978793555      3.47060396531025
  F           0.54317093542060     -4.16571288417069      2.08822672871296
  F          -1.43880797982743     -3.32326674145408      2.32137597844258
  C          -0.08502329709890     -2.08586577736630     -2.63568131198669
  F           0.11747184328028     -1.12059905379458     -3.54034156578789
  F          -1.34683359964740     -2.51791551767396     -2.75341295581067
  F           0.73083809975714     -3.10848638115738     -2.91806323721724
*

