#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts12.gbw" end

* xyz 1 1
  C          -0.27857582775013     -3.42739433161581      0.12573937672184
  C           0.80906740339614     -2.92808981891740     -0.59970669358062
  C           1.01277019577937     -1.56869653012092     -0.72056419811746
  C           0.12893288012588     -0.66147844012804     -0.12508239863928
  C          -0.95371732820472     -1.15147183183145      0.61268038485699
  C          -1.14916455872411     -2.51221025186401      0.73147680907017
  H           1.50685131031308     -3.60931967988487     -1.07169536656493
  H           1.86384961685615     -1.20125129055992     -1.28541148767755
  H          -1.63261662278462     -0.47656696125992      1.12235510902096
  H          -1.98397900404954     -2.88325740634381      1.31505551791483
  C           0.38672364368655      0.76623744036691     -0.29445383148892
  H           1.39903833550527      1.05344901261285     -0.57007230898045
  H          -0.30617952066513      1.25289020269513     -1.24786942525160
  H          -1.53858589696549      1.52273106096211      0.19890961891358
  C          -0.20796136563554      3.23140501619643      0.01960766334930
  C          -1.28138830223967      4.13025785260121     -0.01419327929357
  C           1.10514921171468      3.71416988602201      0.10533373574389
  C          -1.04564543520924      5.49377971906960      0.01355434936923
  H          -2.29823596012724      3.75489552954185     -0.06653121412533
  C           1.33389949231393      5.07646465089029      0.13554688853396
  H           1.94406543827951      3.03160939564664      0.17656522158413
  C           0.26059739260810      5.96395049662725      0.08465444740902
  H          -1.87550917279326      6.18918871894984     -0.01568320144688
  H           2.34659164477271      5.45350955447996      0.21091453699916
  H           0.44674895582779      7.03154495193113      0.11241271095057
  C          -0.51116429329541      1.81154238365293     -0.01251341959416
  C          -0.52371290521696     -4.87633949025209      0.28137225171529
  C          -0.18909644910433     -5.83289885860415     -0.84295003598151
  C           0.63808190299686     -5.83997244211157      0.39565435104562
  H          -1.40234355806213     -5.11706044734980      0.86726928129923
  H           0.23415023205848     -5.40710948037718     -1.74458913863874
  H          -0.87760483517795     -6.65125341324656     -1.00904036135357
  H           0.52342273995461     -6.66318147870197      1.08882103153702
  H           1.63505066981638     -5.41849897907668      0.35373836469978
*

