#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm0Frz.gbw" end

* xyz 1 1
  C          -0.36156559250488     -3.97407304730815      1.14602058179339
  C          -0.46680322410748     -4.05207195948717     -0.23727173236561
  C          -0.10757834757283     -2.96636780976187     -1.02253170252791
  C           0.37242332737716     -1.80481029807723     -0.42452255070894
  C           0.46245461058513     -1.72075376935292      0.96201681890651
  C           0.10343336970208     -2.80951444395931      1.74535542875132
  H          -0.64041494966247     -4.82313876994104      1.75906802418311
  H          -0.82335576399144     -4.96163854350826     -0.70622026429124
  H          -0.18027370303878     -3.03226803180998     -2.10318890954418
  H           0.82781265259720     -0.81332384287108      1.43374228593088
  H           0.18668771946228     -2.74881007727351      2.82415856099943
  C           0.77580321735487     -0.61264448114451     -1.28764902950009
  H           1.77306910163070     -0.26087998158626     -1.02816055495297
  H           0.78980820265808     -0.93254965410114     -2.33475968095364
  H          -1.23039428759903      0.16279755662433     -1.54489708697309
  C          -0.14521697882032      1.66814204849768     -0.53816281601334
  C          -1.30685163276867      2.49092875757698     -0.48967935006297
  C           1.06996302583203      2.14227133864836      0.03392570359778
  C          -1.25473510068870      3.73102530761348      0.09967520224226
  H          -2.22994363762126      2.12305112857982     -0.92463142813588
  C           1.10908411678218      3.38059196852620      0.62216046170338
  H           1.95985935993018      1.52690050753056      0.00571827346667
  C          -0.04907592562904      4.16881597564313      0.65197384099345
  H          -2.13324578958422      4.36261281076952      0.13906546969790
  H           2.02640918271910      3.75289749453502      1.06084037252218
  H          -0.00677879686959      5.14769510949906      1.11840880928019
  C          -0.24979555617230      0.42906623613830     -1.15180179803858
*

