I'm attempting to benchmark some water monomer and dipole calculations against the NIST CCCBDB (https://cccbdb.nist.gov/dipole2x.asp), and I'm not certain with which basis set I should compare.

As far I understand, the basis sets listed on the database page are all atomic orbitals. I am using VASP, and hence a plane-wave basis set. So, which basis set would be most comparable?


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