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AL2X6 results

Density functional: B97-D3

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. D3(0) D3(BJ)
1 al2h6 alh3 -1 2 38.5 -5.20 -3.55
2 al2f6 alf3 -1 2 51.6 -11.10 -9.53
3 al2cl6 alcl3 -1 2 32.5 -8.15 -4.29
4 al2me4 alme2 -1 2 38.4 -5.55 -3.51
5 al2me5 alme2 alme3 -1 1 1 31.2 -6.91 -4.21
6 al2me6 alme3 -1 2 23.1 -8.26 -4.84
MD -7.53 -4.99
MAD 7.53 4.99
RMSD 7.78 5.41