TABLE IV.

Timings (in seconds) for B97M-V, ωB97M-V, and the PT2 component of ωB97M(2) for three systems: (1) hexane from AlkAtom19, (2) adenine-thymine (Watson-Crick geometry) from S22, and (3) the dodecahedron water 20-mer from H2O20Bind4. The number of atomic orbital (AO) basis functions (def2-QZVPPD) is given in the second column, while the number of auxiliary basis functions used for the resolution-of-the-identity (RI) expansions is given in the third column. The calculations are performed in Q-Chem 5.0 with four threads, and the SCF timings are averaged across two iterations and multiplied by 10 in order to represent a full SCF calculation consisting of 10 iterations.

Empty	AO BF	RI BF	B97M-V	ωB97M-V	ωB97M(2)//PT2 only
C6H6	840	1852	2 020	8 840	66
AT-WC	1566	3698	10 770	61 630	729
H2O20	2640	5740	32 430	179 220	6372