rankings / method / M06-L / def2-QZVP

M06-L / def2-QZVP

M06-L / def2-QZVP is a DFT method — meta-GGA class · M06-L + def2-QZVP. ScoreMol scores it on 3 benchmark suites covering Reaction energy, Non-covalent interactions, Atomization energy, each run under the same protocol on held-out reference data with cluster-bootstrap confidence intervals.

Suites: MTK-55, NCI-M-300, QM9-X.