back to GMTKN55 main page back to GMTKN55 database sorted by functionals
back to AL2X6 main page back to M11 main page

AL2X6 results

Density functional: M11

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	1.47	1.94
2	al2f6	alf3		-1	2		51.6	3.62	4.17
3	al2cl6	alcl3		-1	2		32.5	-0.21	1.71
4	al2me4	alme2		-1	2		38.4	1.04	2.10
5	al2me5	alme2	alme3	-1	1	1	31.2	0.79	2.09
6	al2me6	alme3		-1	2		23.1	0.75	2.34
MD								1.24	2.39
MAD								1.31	2.39
RMSD								1.71	2.53