#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm15Frz.gbw" end

* xyz 1 1
  C          -0.52355645015155     -3.26353242248431     -0.11706528577930
  C           0.86167578480815     -3.19155300170822     -0.04709208487216
  C           1.49991995755673     -2.01880570296921      0.31373951334148
  C           0.73780683820147     -0.89782326331804      0.62281727652014
  C          -0.65044551130765     -0.94295443478728      0.54376469718020
  C          -1.26595977592687     -2.12803709928625      0.18237843094022
  H           2.58195535997048     -2.01289572033770      0.36835561836866
  H          -1.27254297089961     -0.08545183452461      0.77339684519872
  C           1.42878923927739      0.39812646358949      1.02812935469673
  H           1.02828679669617      0.77758418731449      1.96667643907780
  H           2.49518686357395      0.19657215915786      1.17257299582764
  H           1.80394896883273      1.06817632020781     -1.00148414897151
  C           0.59208600114762      2.54754297345884     -0.11165217425166
  C           0.58702983940666      3.29204358935941     -1.32872221163001
  C          -0.12669867021162      3.04732198729947      1.01473333413472
  C          -0.10038554159833      4.47759783558641     -1.41388389250029
  H           1.13376083597674      2.90642155184618     -2.18259218307941
  C          -0.81109216594462      4.23046382249989      0.91606779921407
  H          -0.13331709830483      2.49390383278034      1.94491942946706
  C          -0.79535072389492      4.93975610258762     -0.29343655782102
  H          -0.10832659991392      5.04855609127197     -2.33375289968796
  H          -1.36153242087346      4.62090754888293      1.76287205790607
  H          -1.34039767955123      5.87583225022335     -0.36010720580656
  C           1.30274914049367      1.36145604540905     -0.07968326810478
  F          -2.59371980224323     -2.19563369563288      0.11284415996698
  F          -1.12593388599769     -4.39146233425373     -0.46086292766326
  F           1.57190414087777     -4.27868129217290     -0.33182290167258
*

