#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts11.gbw" end

* xyz 1 1
  C          -0.70913851754101     -4.24300776117758      0.16390411815239
  C           0.58260218955694     -3.85660753992080     -0.18969379542640
  C           0.89700589894225     -2.50370352068967     -0.25592487625954
  C          -0.08286488203790     -1.55002790395824      0.02150630845152
  C          -1.37640631426262     -1.93746758753657      0.38705115482876
  C          -1.67494473132370     -3.28689657678045      0.45399814339940
  H           1.90585310612871     -2.21423437271903     -0.52870709532887
  H          -2.13119624914384     -1.20657852180619      0.64933139807369
  H          -2.66793815103449     -3.60664105589459      0.74603982564498
  C           0.30792883876155     -0.14668444442410     -0.06834933498991
  H           1.37328193570044      0.07213535219505     -0.04573666796773
  H          -0.07027436229071      0.39967011143684     -1.22389840746551
  H          -1.62132262169652      0.73004372600931     -0.24110624571354
  C          -0.18263139858549      2.36192341131643     -0.05641515225106
  C          -1.11013107195690      3.31671129504111     -0.48454005894848
  C           1.05264430184824      2.76883589671838      0.45995260658995
  C          -0.79806117414733      4.66429781290965     -0.41838901786851
  H          -2.07323315638916      3.00043805747823     -0.87201382471486
  C           1.35742460403772      4.11602979345035      0.52663418673367
  H           1.76502362694186      2.04374642958644      0.83688104809855
  C           0.43568415231826      5.06140817690965      0.08328181859015
  H          -1.51540564161312      5.40389211005486     -0.75257702376463
  H           2.30867112188393      4.43500368388711      0.93510692371617
  H           0.67895284114536      6.11612655138736      0.14126215867578
  C          -0.56014644892321      0.95236870369211     -0.15308661725569
  H          -0.95882396601687     -5.29773548941074      0.22491378528787
  O           1.57125386424474     -4.73190194850920     -0.47553725800415
  H           1.25754605545280     -5.63985147924572     -0.39661685028401
*

