#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod7Frz.gbw" end

* xyz 1 1
  C          -0.01798920821609     -3.47556980416166      0.24672777620527
  C           0.78079544313213     -2.90201161519485      1.25927719451425
  C           1.21207800960546     -1.61035713771292      1.15420167150145
  C           0.86570283874902     -0.81573833690198      0.01911535106786
  C           0.05283066670929     -1.40740809848365     -0.99798787590224
  C          -0.37336137349913     -2.69602512174907     -0.88173316683521
  H           1.04785298808405     -3.50040944805635      2.12205876759322
  H           1.82514591395149     -1.17058683670797      1.93362944116626
  H          -0.22888339341583     -0.82710382990842     -1.86717158303209
  H          -0.98995134246792     -3.12389270569367     -1.66038608992613
  C           1.33017187454373      0.47904489044008     -0.04486086623273
  H           1.93104258641591      0.82410951523577      0.79543528321875
  H           2.03186038631289      1.91654526560149     -1.38781727091769
  H           0.58554434995092      1.08172640425920     -1.96320477037224
  C           0.22531693855186      2.60666537680501     -0.46484239981772
  C          -1.11975583255255      2.38481703511135     -0.18369359788071
  C           0.80230972279141      3.83687184615307     -0.16471597545775
  C          -1.88922942960595      3.39937395095373      0.36961415631920
  H          -1.57393938128020      1.42437952034875     -0.40929684103531
  C           0.03224109398722      4.84931561897647      0.39012357372239
  H           1.85072588495763      4.01257700400999     -0.38295145438641
  C          -1.31347596897153      4.63154939599749      0.65654472732226
  H          -2.93948785032094      3.22887284938492      0.57586839080310
  H           0.48218031660256      5.81083528856313      0.60813867222766
  H          -1.91596689967600      5.42302510988208      1.08681737230349
  C           1.06926406793178      1.49612284899334     -1.07986448100593
  C          -0.44732165034803     -4.86065948826096      0.41151560043075
  C          -1.16995047226849     -5.54971800978551     -0.47327395491367
  H          -0.13440921851330     -5.34325845296185      1.33189622516005
  H          -1.44422216647094     -6.57905057688428     -0.27469842874029
  H          -1.51038459467043     -5.13301592825280     -1.41387761709985
*

