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AL2X6 results

Density functional: SOGGA11X

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 -2.49 1.29
2 al2f6 alf3 -1 2 51.6 -2.77 1.43
3 al2cl6 alcl3 -1 2 32.5 -6.58 3.76
4 al2me4 alme2 -1 2 38.4 -4.34 1.47
5 al2me5 alme2 alme3 -1 1 1 31.2 -6.12 1.88
6 al2me6 alme3 -1 2 23.1 -7.82 2.65
MD -5.02 2.08
MAD 5.02 2.08
RMSD 5.39 2.26