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AL2X6 results

Density functional: r2SCAN-3c

Reference values and deviations (result - reference) of the respective functional in kcal/mol.

# Systems Stoichiometry Ref. r2SCAN-3c
1 al2h6 alh3 -1 2 38.5 2.04
2 al2f6 alf3 -1 2 51.6 0.31
3 al2cl6 alcl3 -1 2 32.5 -0.06
4 al2me4 alme2 -1 2 38.4 0.58
5 al2me5 alme2 alme3 -1 1 1 31.2 1.03
6 al2me6 alme3 -1 2 23.1 1.60
MD 0.92
MAD 0.94
RMSD 1.17