#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm13Frz.gbw" end

* xyz 1 1
  C          -1.25132932175938     -3.23789513407808     -0.40174380209298
  C           0.05893986619751     -3.35656402491506      0.05495130082421
  C           0.70718707599361     -2.26000250709353      0.60568416570083
  C           0.04589967577507     -1.04060656444363      0.71442816090744
  C          -1.25888537722877     -0.92137013002069      0.24540494795905
  C          -1.90887296298019     -2.02142003941388     -0.30472595286812
  H           1.72614348357855     -2.36731757193353      0.96782654943902
  H          -1.78095954663397      0.02806613410722      0.32064120539780
  H          -2.92928446955383     -1.92412330829781     -0.65600953987047
  C           0.75657547833426      0.16315917349742      1.32591352192781
  H           0.15489285470868      0.61459369481507      2.11308495156058
  H           1.69732821318470     -0.17718448345299      1.77106852363795
  H           1.80136506206369      0.73330128648543     -0.48630482082033
  C           0.57008739617208      2.37048996177745      0.01871541911047
  C           1.01952938523022      3.07935588960855     -1.13360161857481
  C          -0.38093902871151      2.98190610902747      0.88696690985092
  C           0.54366208564526      4.33949227383673     -1.40242108298807
  H           1.74160626501397      2.60817540434109     -1.79182570957972
  C          -0.85026376756021      4.23909883163777      0.60666190242520
  H          -0.73213079269794      2.45550315335224      1.76506287477898
  C          -0.38737343559014      4.91197683388656     -0.53262834586610
  H           0.88132868134588      4.88451334974454     -2.27487500964875
  H          -1.57255378668797      4.71528396306244      1.25787237373936
  H          -0.76455189133863      5.90727360916470     -0.74427253050960
  C           1.08798771652196      1.10668511185775      0.24766786471917
  H          -1.73611956533706     -4.10944391460775     -0.82618844963281
  C           0.77030342884634     -4.66757476546366     -0.04273136308199
  O           0.27848652338828     -5.65080579318152     -0.52806559634877
  H           1.80052240407954     -4.67946222330028      0.36629682990372
*

