back to GMTKN55 main page back to GMTKN55 database sorted by functionals
back to AL2X6 main page back to N12SX main page

AL2X6 results

Density functional: N12SX

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(BJ)
1	al2h6	alh3		-1	2		38.5	0.91	2.50
2	al2f6	alf3		-1	2		51.6	-3.08	-1.18
3	al2cl6	alcl3		-1	2		32.5	-4.35	1.47
4	al2me4	alme2		-1	2		38.4	-1.09	2.37
5	al2me5	alme2	alme3	-1	1	1	31.2	-2.18	2.62
6	al2me6	alme3		-1	2		23.1	-3.17	3.18
MD								-2.16	1.83
MAD								2.46	2.22
RMSD								2.75	2.32