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AL2X6 results

Density functional: MPWB1K

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) D3(BJ)
1 al2h6 alh3 -1 2 38.5 1.15 1.77 2.61
2 al2f6 alf3 -1 2 51.6 -0.12 0.80 1.57
3 al2cl6 alcl3 -1 2 32.5 -1.66 0.87 3.15
4 al2me4 alme2 -1 2 38.4 -0.22 1.47 2.59
5 al2me5 alme2 alme3 -1 1 1 31.2 -0.70 1.91 3.11
6 al2me6 alme3 -1 2 23.1 -0.93 2.73 4.03
MD -0.41 1.59 2.84
MAD 0.80 1.59 2.84
RMSD 0.96 1.72 2.94