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AL2X6 results

Density functional: M08HX

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 2.93 2.95
2 al2f6 alf3 -1 2 51.6 3.13 3.17
3 al2cl6 alcl3 -1 2 32.5 1.54 1.61
4 al2me4 alme2 -1 2 38.4 2.37 2.59
5 al2me5 alme2 alme3 -1 1 1 31.2 1.71 2.00
6 al2me6 alme3 -1 2 23.1 1.55 1.94
MD 2.21 2.38
MAD 2.21 2.38
RMSD 2.30 2.44