#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts3.gbw" end

* xyz 1 1
  C          -1.49393485202151     -3.09005437969125      0.30701061064810
  C          -0.14707960116424     -2.86755880567085      0.03907274446877
  C           0.33913742505018     -1.57736815008443     -0.05230354044668
  C          -0.53175967118917     -0.49526629364095      0.11670731303479
  C          -1.88354790723097     -0.72176561204065      0.39963692541182
  C          -2.35919041149947     -2.01749570887677      0.49176986911573
  H           1.39079978411320     -1.40939975370571     -0.25437758292462
  H          -2.56041588541921      0.10588160152949      0.57727112473161
  H          -3.40211840647670     -2.19798485955652      0.72080688467307
  C           0.02901043182076      0.84553275843818      0.01431835366927
  H           1.11042344135866      0.93429317834690      0.09495387213158
  H          -0.21336707919508      1.41321494256046     -1.18702976918730
  H          -1.76168150709823      1.94963694473561     -0.31184910660752
  C          -0.14187609960927      3.39465846012804     -0.07579521792711
  C          -0.90829911502942      4.44150753442969     -0.59700460996691
  C           1.09513599192423      3.66201645543579      0.52076641745129
  C          -0.43322133099476      5.74113601287160     -0.54278700012430
  H          -1.87379328682561      4.23460736667228     -1.04738555807784
  C           1.56265537816909      4.96240158382718      0.57509109363856
  H           1.68158030664341      2.86822865393918      0.96968774495221
  C           0.80216317323165      5.99899499665999      0.03939440961721
  H          -1.02546386685602      6.55201249745115     -0.94894578523209
  H           2.51503386664763      5.17458293330669      1.04562411528007
  H           1.17243124210675      7.01656707974508      0.08807328091964
  C          -0.68736562059826      2.03925073431552     -0.16566882439313
  C           0.76906032053733     -4.05519219304232     -0.17036729726289
  H          -1.86391037859173     -4.10601655931364      0.38661781357014
  F           0.58479379786365     -4.97796126592075      0.78380299907562
  F           2.06062524919809     -3.69046291695975     -0.15226251586507
  F           0.52442007113500     -4.63880583588929     -1.35436933437405
*

