I am using G09 to single point and optimization calculation using B3PW91. What is the correct way/keywords to add D3.

I tried followings:

  • Added “Empiricaldispersion=GD3” => produce “Syntax error”
  • Added D3 into the functional: B3PW91-D3 => error
  • Gaussian gives a table with the list of functionals for which GD3 parameters are defined.  It seems I am missing something. Can anyone know how to solve this problem?

    Thank you in advance.

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