#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000

* xyz 1 1
  C          -0.02788625983565     -2.87312030643369     -0.52577614624217
  C          -0.01672164018127     -2.43858577436770      0.84941241144254
  C           0.39756492274966     -1.17304891765164      1.12883274325068
  C           0.81751499433852     -0.27671405316861      0.08397022275018
  C           0.78935604665331     -0.73769419274798     -1.26616916381975
  C           0.37778611032171     -2.00261273199731     -1.56310764978833
  H           0.41852333459741     -0.81269795241692      2.14891519462761
  H           1.09908710880990     -0.08002063225419     -2.06739768383003
  H           0.36223202646643     -2.34419342509460     -2.58815043745253
  C           1.23266315809321      0.98594135257450      0.41447129939044
  H           1.21941445985358      1.24581831863789      1.47163512948925
  H           2.58385468461805      2.50405669769399     -0.13089269639284
  H           1.75734606612200      1.78458197828621     -1.51896259044735
  C           0.54532113396208      3.15381516194634     -0.34767480709503
  C          -0.69433052611633      2.94610322383595     -0.94685311647598
  C           0.76657462219079      4.30839314909794      0.39574955099247
  C          -1.69770032683591      3.89676148046720     -0.82357707409012
  H          -0.87569197944296      2.04246405596886     -1.52154009039828
  C          -0.23894593975428      5.25778259974790      0.52191264585017
  H           1.73151063678300      4.47675537903532      0.86314684591188
  C          -1.47064264878230      5.05323265614258     -0.08729603872664
  H          -2.65667885283719      3.73603679695660     -1.30244181453908
  H          -0.05729365408902      6.16181979801746      1.09148217379760
  H          -2.25329395965104      5.79670161068766      0.00926196620690
  C           1.63351391717757      2.09353515762420     -0.48265227980697
  O          -0.43208335666926     -4.09742011372821     -0.71337645484766
  C          -0.48332526490364     -4.65241195287522     -2.04513284511578
  H          -1.17989167626128     -4.08218156972499     -2.66120143271208
  H           0.51511258929247     -4.66211424294062     -2.48433744221341
  H          -0.84473133650892     -5.66786002743335     -1.91197545822436
  O          -0.42991714140105     -3.36254253739984      1.72515097044655
  C          -0.44484001654357     -2.99588879662263      3.10637367790217
  H           0.56324617055310     -2.74615977332580      3.44933648505203
  H          -1.12309806954412     -2.15440507269808      3.27394131685647
  H          -0.80726096322500     -3.87124947383921      3.63886438825145
*

