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RG18 results

Density functional: PBEhPBE

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) D3(BJ)
1 ne2 ne -1 2 0.08 0.05 0.12 0.09
2 ar2 ar -1 2 0.27 -0.13 0.16 0.20
3 kr2 kr -1 2 0.40 -0.28 0.22 0.35
4 ne3 ne -1 3 0.27 0.09 0.28 0.21
5 ar3 ar -1 3 0.77 -0.36 0.27 0.46
6 kr3 kr -1 3 1.18 -0.80 0.38 0.73
7 ne4 ne -1 4 0.54 0.16 0.51 0.40
8 ar4 ar -1 4 1.51 -0.91 0.30 0.69
9 ne6 ne -1 6 1.13 0.22 0.97 0.75
10 hfNe ne hf -1 1 1 0.23 0.18 0.44 0.26
11 hfAr ar hf -1 1 1 0.59 0.13 0.55 0.36
12 hfKr kr hf -1 1 1 0.72 0.20 0.70 0.55
13 c2h2Ne ne c2h2 -1 1 1 0.12 0.04 0.17 0.18
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.17 0.12 0.21
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.02 0.21 0.17
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.31 0.16 0.20
17 bzNe ne bz -1 1 1 0.40 -0.14 0.17 0.21
18 bzAr ar bz -1 1 1 1.12 -0.94 0.04 0.27
MD -0.17 0.32 0.35
MAD 0.29 0.32 0.35
RMSD 0.40 0.40 0.40