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RG18 results

Density functional: M062X

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 ne2 ne -1 2 0.08 0.09 0.09
2 ar2 ar -1 2 0.27 -0.13 -0.13
3 kr2 kr -1 2 0.40 -0.25 -0.25
4 ne3 ne -1 3 0.27 0.23 0.24
5 ar3 ar -1 3 0.77 -0.24 -0.24
6 kr3 kr -1 3 1.18 -0.59 -0.58
7 ne4 ne -1 4 0.54 0.42 0.45
8 ar4 ar -1 4 1.51 -0.43 -0.41
9 ne6 ne -1 6 1.13 0.80 0.87
10 hfNe ne hf -1 1 1 0.23 0.02 0.03
11 hfAr ar hf -1 1 1 0.59 -0.07 -0.07
12 hfKr kr hf -1 1 1 0.72 -0.04 -0.04
13 c2h2Ne ne c2h2 -1 1 1 0.12 0.06 0.09
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.15 -0.11
15 c2h6Ne ne c2h6 -1 1 1 0.24 0.04 0.09
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.23 -0.17
17 bzNe ne bz -1 1 1 0.40 0.12 0.20
18 bzAr ar bz -1 1 1 1.12 -0.24 -0.14
MD -0.03 0.00
MAD 0.23 0.23
RMSD 0.31 0.32