back to GMTKN55 main page back to GMTKN55 database sorted by functionals
back to AL2X6 main page back to M052X main page

AL2X6 results

Density functional: M052X

Reference values and deviations (result - reference) of the respective functional
w/o dispersion correction, D3(0) dispersion correction, and D3(BJ) dispersion correction in kcal/mol.

#	Systems			Stoichiometry			Ref.	without	D3(0)
1	al2h6	alh3		-1	2		38.5	0.22	0.27
2	al2f6	alf3		-1	2		51.6	2.82	2.90
3	al2cl6	alcl3		-1	2		32.5	-0.16	0.04
4	al2me4	alme2		-1	2		38.4	-0.66	-0.15
5	al2me5	alme2	alme3	-1	1	1	31.2	-0.41	0.27
6	al2me6	alme3		-1	2		23.1	0.07	0.99
MD								0.31	0.72
MAD								0.72	0.77
RMSD								1.20	1.26