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AL2X6 results

Density functional: M062X

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 0.70 0.72
2 al2f6 alf3 -1 2 51.6 3.46 3.50
3 al2cl6 alcl3 -1 2 32.5 -0.58 -0.51
4 al2me4 alme2 -1 2 38.4 -0.25 -0.02
5 al2me5 alme2 alme3 -1 1 1 31.2 -0.16 0.13
6 al2me6 alme3 -1 2 23.1 0.11 0.52
MD 0.55 0.72
MAD 0.88 0.90
RMSD 1.47 1.49