#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm5Frz.gbw" end

* xyz 1 1
  C          -0.61155404158141     -3.68267861528692     -0.03853807740737
  C           0.73282535607169     -3.60646615809792     -0.40773089747941
  C           1.43093678454360     -2.43262844157106     -0.20959666054004
  C           0.81263902740491     -1.32420067000224      0.37140105492731
  C          -0.53385382252511     -1.40067989155916      0.71480817841605
  C          -1.24476054027853     -2.57468526545463      0.52380385589656
  H           1.20917867079868     -4.47918025713931     -0.83724143304492
  H           2.47866470297975     -2.38540669121873     -0.48837960568573
  H          -1.03677101806426     -0.54458374486944      1.15464623340464
  H          -2.28954340416401     -2.63193528985618      0.81152126587941
  C           1.59096893173126     -0.03527873789733      0.59543528399208
  H           1.46558127697794      0.33154893168156      1.61316567171816
  H           2.65544455139186     -0.24235404174728      0.44347535303034
  H           1.43284639878715      0.68139073766253     -1.44193235229771
  C           0.44031947708998      2.10781642160825     -0.23981939158982
  C           0.10997257249090      2.87193315320293     -1.39420258335110
  C           0.02545081561208      2.56689975767964      1.04193247480324
  C          -0.59779110730618      4.04391167751837     -1.27218968152963
  H           0.42627299608593      2.51583128583647     -2.36875648463321
  C          -0.68299233959450      3.73680848015011      1.15143447427795
  H           0.26780872882903      1.99501568833765      1.92828151676918
  C          -0.99041580310055      4.46994887530813     -0.00190495189846
  H          -0.85037094443571      4.63103214756606     -2.14614025034045
  H          -1.00332134790869      4.09700884005903      2.12109442751470
  H          -1.54960988209139      5.39470762024261      0.09588767365193
  C           1.17428798495755      0.94193776678122     -0.41623904704665
  O          -1.24150994959960     -4.85845263342078     -0.25253320523093
  H          -2.15506529510240     -4.81263978551362      0.05045271779389
*

