#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts16.gbw" end

* xyz 1 1
  C           0.30136825406924     -3.93917188128299     -0.03942064049561
  C           1.53313564943920     -3.34356767476870     -0.26756109942566
  C           1.63524866591427     -1.96361837784001     -0.29488520444098
  C           0.50979922046026     -1.16322785356007     -0.09981489034063
  C          -0.73831453462283     -1.76432506524139      0.14172414095914
  C          -0.84022820535051     -3.13467881069864      0.17218485665206
  H           2.60127269144314     -1.50398387537549     -0.47357171384840
  H          -1.62294574559988     -1.16687145789549      0.33771177749564
  C           0.68678539053179      0.28416907906008     -0.16363815417091
  H           1.70135614067342      0.65213748660146     -0.03012731914005
  H           0.38086808594398      0.73400876343968     -1.30333394594766
  H          -1.33866224751541      0.89126293436265     -0.41791634292457
  C          -0.17319224712211      2.68785641253828     -0.07445899024056
  C          -1.22609570062624      3.51089313860290     -0.49617407923144
  C           0.97626673387219      3.25921648597412      0.49055532583153
  C          -1.12332746744716      4.88554528688046     -0.37693218043790
  H          -2.12045460973346      3.06724812761640     -0.92158966759006
  C           1.07167601318772      4.63219290286874      0.60919460833715
  H           1.78123151926802      2.63557464751608      0.86160801839086
  C           0.02599198149625      5.44328594794593      0.17169467491150
  H          -1.93562333165042      5.52194278456779     -0.70600118445986
  H           1.95406956392573      5.07699360495834      1.05290310186310
  H           0.10600868498882      6.51984718815817      0.27095340538430
  C          -0.33216891737460      1.25485370882539     -0.22212961239356
  O           0.20706579532118     -5.27329522296650     -0.00451041242244
  H           2.39812646313028     -3.97783149605261     -0.41555615393126
  H          -0.70885106173176     -5.52922516889598      0.17475843822834
  O          -1.98369261662145     -3.83354669152860      0.41222349580143
  H          -2.73016353826966     -3.24869551381003      0.57618202758651
*

