#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts21.gbw" end

* xyz 1 1
  C          -0.02628994229919     -3.05354705652655      0.00851318021037
  C           1.22469247437707     -2.52062597227483     -0.25445357009672
  C           1.41191007392623     -1.15182887397938     -0.29188423193827
  C           0.31693392939002     -0.31321018824444     -0.06085623594515
  C          -0.94918288332548     -0.83949655925658      0.22090421109258
  C          -1.10331713736936     -2.20946921803262      0.24567900755563
  H           2.40014636028445     -0.76116252875542     -0.50374924108422
  H          -1.80719344461207     -0.22069687967822      0.44907809281966
  C           0.55412181626652      1.12143363945249     -0.10439158243745
  H           1.59161201256127      1.44796512219836     -0.07183553166035
  H           0.08733153442713      1.72359537267568     -1.30060559100072
  H          -1.45439375216426      1.80521533820922     -0.31454600517645
  C          -0.18535641276808      3.56993709727556     -0.06874863648529
  C          -1.17652422178485      4.44236322039990     -0.52601882743039
  C           0.97485776001537      4.07602474350571      0.52483634463381
  C          -1.00016410923530      5.81124638176273     -0.40979596695533
  H          -2.08261301428856      4.04820368944444     -0.97497103054957
  C           1.14345686289394      5.44421971005832      0.64147106543617
  H           1.73339716346268      3.41326978169473      0.92661944786349
  C           0.16024942423066      6.31013676115262      0.16977097984736
  H          -1.76727535595074      6.48796050641998     -0.76597503561452
  H           2.03560436241096      5.83972874725781      1.11171214736521
  H           0.29650087285636      7.38101554195566      0.26696614938278
  C          -0.41872778690213      2.12720301488752     -0.22749056743510
  N          -0.21452015512389     -4.51602111971742      0.04863545004195
  O          -0.80248602722899     -4.99433469279184     -0.89088027393123
  O           0.23826944421153     -5.07909954395001      1.01507650560368
  F          -2.28535261803522     -2.73946592593947      0.52050279037308
  F           2.24178076977396     -3.33700210920402     -0.48026404448497
*

