#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm24Frz.gbw" end

* xyz 1 1
  C          -0.68690439257871     -2.34245047584447     -0.09275024410892
  C           0.68745643297087     -2.46152544069661      0.07924581073969
  C           1.44283560476907     -1.37749425392769      0.49048068774179
  C           0.82088487286675     -0.15753023152957      0.74611440050955
  C          -0.54790516369305     -0.02772761163776      0.56380086737977
  C          -1.29674372413175     -1.12280228394973      0.14917591994529
  H           2.51169575260107     -1.48997594631309      0.62826228571001
  H          -1.04473194870051      0.91921552929456      0.74706040806254
  C           1.64698445498831      1.03956137220278      1.20571803647652
  H           1.21187023971216      1.49150969667066      2.09541869221942
  H           2.65468389377984      0.69450700831084      1.45810345932322
  H           2.32782286506918      1.61698870093708     -0.77377836032146
  C           1.20309437844189      3.24351377765722     -0.04379844803914
  C           1.41565605048438      3.95110925804269     -1.26492530324516
  C           0.42347613233263      3.84905155625520      0.98694302183329
  C           0.87586178244845      5.20039744915831     -1.44555452397822
  H           2.00763958466138      3.48541968088028     -2.04556097266203
  C          -0.11189428794391      5.09520323818427      0.79314095913609
  H           0.25433838272667      3.32615873783058      1.91943593908607
  C           0.11548666872909      5.76472334363546     -0.41806311954490
  H           1.03211036789880      5.74348947039291     -2.36903947903068
  H          -0.70656879875596      5.56588257270965      1.56599548425455
  H          -0.31318903967314      6.75153148374351     -0.56043372928096
  C           1.76366689613294      1.98655949799216      0.08191401630260
  C           1.34420794736650     -3.79318862198797     -0.21697020614075
  F           2.62299592784903     -3.81794002929987      0.19047812045757
  F           1.33195473327791     -4.04379283453221     -1.53740781215811
  F           0.69661619848257     -4.79672918270014      0.39135785168624
  H          -1.27407496744836     -3.19371366337143     -0.41518843714413
  C          -2.79451295158805     -0.96868659705898      0.00263689424816
  F          -3.10457086052008      0.23885423056755     -0.51145981058803
  F          -3.40500806004817     -1.05924456193466      1.19634369790198
  F          -3.31708412250777     -1.90259098968156     -0.79873732677184
*

