#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm14Frz.gbw" end

* xyz 1 1
  C          -0.10820510441043     -3.08341301169902      0.07255423057560
  C           1.20709428162123     -2.91146826096256     -0.31797792438154
  C           1.78733842028654     -1.66371941987725     -0.14802952169127
  C           1.05533005213584     -0.62110288324466      0.41338452921434
  C          -0.27106056461239     -0.81836179316131      0.78759677779869
  C          -0.86210833845977     -2.06239246151046      0.62409152782886
  H           1.75628751520772     -3.74280023072556     -0.73904301750698
  H           2.82135635584552     -1.51198663979242     -0.43768196557877
  H          -0.84649469843585     -0.00771649769403      1.22292836705317
  H          -1.88682131160334     -2.25001855379938      0.91491695802574
  C           1.70206153587435      0.74753052960513      0.60282950191872
  H           1.54519803945823      1.11481196562826      1.61547326410093
  H           2.78054436310087      0.65175273034482      0.43807955056874
  H           1.41363797604115      1.38168783488442     -1.45171937418732
  C           0.38145144204258      2.78083032399826     -0.25894123678689
  C          -0.04191351220976      3.48061515548597     -1.42807899452066
  C          -0.02222956568112      3.25733875970366      1.02377276994890
  C          -0.82794587591894      4.60122929358585     -1.31942294031340
  H           0.26659936004811      3.11294908524492     -2.40088520879295
  C          -0.80828667757601      4.37574985858537      1.11871145551514
  H           0.29105173119618      2.73770561870952      1.92005562074218
  C          -1.20683329009218      5.04216461068244     -0.04902303841828
  H          -1.15287053945853      5.13787605380263     -2.20182906701381
  H          -1.12194356259820      4.74844429619042      2.08578229288468
  H          -1.82876678380705      5.92725961370334      0.03819039571806
  C           1.17442452012617      1.66022240728066     -0.42588537753801
  N          -0.73869116247011     -4.41543781659222     -0.10804939607243
  O          -0.05167880844924     -5.28862063601914     -0.59113819517746
  O          -1.89454504720158     -4.52898721235766      0.23899196608602
*

