#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts1.gbw" end

* xyz 1 1
  C          -0.11271710390631     -4.22336115833320      0.05107790967403
  C           1.11871778748193     -3.69267271373930     -0.33081027373328
  C           1.31153134286855     -2.32376846821101     -0.38926834755671
  C           0.26697885635063     -1.45121135304478     -0.07356406086245
  C          -0.96986098148974     -1.97600669533382      0.32157248428418
  C          -1.15050848736637     -3.34217490868402      0.37906983675139
  H           1.93491616484454     -4.36036088007813     -0.58190354202135
  H           2.27720433771291     -1.92717656840814     -0.68657419441402
  H          -1.78572456878245     -1.32304576440459      0.61121869971787
  H          -2.10782932500875     -3.74253994578870      0.69435535827505
  C           0.52111899776675     -0.01555859309493     -0.16013436640938
  H           1.56194959180014      0.30039154209840     -0.15009326691227
  H           0.09389873102132      0.47338443676158     -1.27259428997341
  H          -1.48504722918787      0.68645398028276     -0.22931952712359
  C          -0.20172579997123      2.43268263631769     -0.04260990659458
  C          -1.24376116652303      3.30247731476141     -0.38508805240689
  C           1.01956261005276      2.94875636212237      0.41020086582418
  C          -1.06085998024546      4.67185405132484     -0.29852948194053
  H          -2.19378290461988      2.90089324310591     -0.72249654970540
  C           1.19510317549454      4.31675912071228      0.49735114743672
  H           1.82113365148862      2.28852789154109      0.72081967225144
  C           0.15840890749846      5.17609173716025      0.13874654869302
  H          -1.86592375816549      5.34515688356363     -0.56629424844269
  H           2.13449413487027      4.71972111557682      0.85590370238709
  H           0.30138289305316      6.24810284952950      0.21284803465490
  C          -0.44695126386320      1.00303270680929     -0.15366745721433
  C          -0.32474104051631     -5.70783920800301      0.14236478118477
  H          -0.37234986021088     -6.01532220385905      1.19068859860980
  H          -1.26759048536560     -5.99479099159553     -0.32739883228005
  H           0.48610877291799     -6.25691041908961     -0.33609824215348
*

