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RG18 results

Density functional: MPW2PLYP

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 0.09 0.12 0.12
2 ar2 ar -1 2 0.27 -0.19 -0.04 -0.05
3 kr2 kr -1 2 0.40 -0.11 0.16 0.10
4 ne3 ne -1 3 0.27 0.18 0.28 0.26
5 ar3 ar -1 3 0.77 -0.36 -0.02 0.01
6 kr3 kr -1 3 1.18 -0.51 0.13 0.06
7 ne4 ne -1 4 0.54 0.42 0.61 0.59
8 ar4 ar -1 4 1.51 0.21 0.86 0.94
9 ne6 ne -1 6 1.13 0.72 1.14 1.08
10 hfNe ne hf -1 1 1 0.23 0.26 0.40 0.31
11 hfAr ar hf -1 1 1 0.59 0.19 0.42 0.32
12 hfKr kr hf -1 1 1 0.72 0.14 0.41 0.30
13 c2h2Ne ne c2h2 -1 1 1 0.12 0.05 0.13 0.13
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.11 0.05 0.08
15 c2h6Ne ne c2h6 -1 1 1 0.24 0.04 0.17 0.16
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.19 0.08 0.09
17 bzNe ne bz -1 1 1 0.40 -0.05 0.13 0.16
18 bzAr ar bz -1 1 1 1.12 -0.55 0.01 0.06
MD 0.01 0.28 0.26
MAD 0.24 0.29 0.27
RMSD 0.31 0.42 0.40