#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts0.gbw" end

* xyz 1 1
  C          -0.24505336009921     -4.67608219763175      0.08929035086470
  C           1.01572805737358     -4.19614479306872     -0.24507970968812
  C           1.23785185535257     -2.83042446840266     -0.29604568369055
  C           0.19406801037751     -1.94057759293272     -0.02122453121855
  C          -1.06985153501957     -2.43099241301343      0.32789783685870
  C          -1.28469634454382     -3.79569826602874      0.38041110280037
  H          -0.41892114825251     -5.74503024845087      0.13566098975171
  H           1.82299926938736     -4.88538235531143     -0.46064252141133
  H           2.22076257018994     -2.44885870443848     -0.55299209682109
  H          -1.87716720468022     -1.75545288719690      0.58698707914507
  H          -2.25851673170896     -4.17909783398102      0.65988809080506
  C           0.48122286003043     -0.51131229670594     -0.09336454972843
  H           1.52765393033758     -0.21650503034755     -0.05341211928158
  H           0.08675746371906      0.00976250992473     -1.23621369811024
  H          -1.50449403212783      0.23115643236957     -0.26397721565950
  C          -0.18864397168293      1.95468424128186     -0.03933922697796
  C          -1.18353141047133      2.84628733125566     -0.45420720099582
  C           1.01394305895272      2.44284965952496      0.48535948147916
  C          -0.97048288308835      4.21163805782545     -0.36742175137808
  H          -2.12078150499628      2.46636465566361     -0.84782625517755
  C           1.21951790370228      3.80720250713105      0.57275676869015
  H           1.77680595832807      1.76581015896327      0.85259463645357
  C           0.23112219918469      4.68941358574245      0.14211065576244
  H          -1.73945310268729      4.90227976440301     -0.69132199881306
  H           2.14457575173800      4.18883519094036      0.98755585855798
  H           0.39697472078919      5.75805719460780      0.21647273201166
  C          -0.46277511010464      0.52587565787641     -0.15689670422870
*

