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

* xyz 1 1
  C          -0.97043117628893     -3.25390159226541     -1.06559502089753
  C           0.09612639986822     -3.46879452069509     -0.19139423406471
  C           0.44412517214733     -2.48779247512080      0.73158088660708
  C          -0.28841255878999     -1.30795023641164      0.78517063210377
  C          -1.33566650360334     -1.07496147665036     -0.10345095459084
  C          -1.67922570608236     -2.06352561154936     -1.01547672665029
  H           1.26307306830825     -2.68042172960415      1.41567510291345
  H          -1.88971009191094     -0.14345978612725     -0.07354689921560
  H          -2.50577308067088     -1.90574539385910     -1.69819342077436
  C           0.09697500829134     -0.22204603860619      1.80076989307094
  H          -0.77685546070187      0.26231760144049      2.22785200185150
  H           0.70926824113174     -0.65823810150607      2.59074729731212
  H           1.85959771790806      0.21209521492169      0.62600854588158
  C           0.55307406383676      1.85635608279699      0.35162800404578
  C           1.45287300291862      2.43515137215569     -0.58189223864683
  C          -0.64192057005930      2.54663073442955      0.68817667643911
  C           1.16918605096669      3.65235750695577     -1.15728078876472
  H           2.36396681219282      1.90384231936281     -0.83532331732218
  C          -0.91528382181392      3.76098153134561      0.10900237706925
  H          -1.33258377467039      2.12135090048811      1.40505289986243
  C          -0.01216097976303      4.30834563111431     -0.81047210283432
  H           1.85157943063021      4.09855587348471     -1.86973498860877
  H          -1.82085627737399      4.29837959009021      0.36163567706590
  H          -0.23676580144424      5.26902894539150     -1.26187362321329
  C           0.89989155297907      0.63207429846144      0.92180141683526
  H          -1.24363644630330     -4.02029372078926     -1.78405250142989
  O           0.83023146463861     -4.60542688782854     -0.18685206536526
  H           0.48949322365876     -5.22915344142562     -0.83756689867959
*

