I am trying to reproduce the properties of several molecules that were originally computed with a ‘superfine’ numerical integration grid in Gaussian16. This keyword employs a grid composed of (i) 974 spherical points and 175 radial points for first-row atoms and (ii) 974 spherical points and 250 radial points for subsequent-row atoms. In this case, I would like to use a 175,974 grid for carbon and fluorine atoms and a 250,974 grid for iodine atoms.

Is it possible to set the DFT integration grid via ‘dft_spherical_points’ and ‘dft_radial_points’ (or any other keyword) on a per atom basis?

I should point out that this is simply to reproduce the data generated in Gaussian16 before moving to PSI4 for subsequent production level computations.