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RG18 results

Density functional: X3LYP

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 -0.01 0.10 0.06
2 ar2 ar -1 2 0.27 -0.35 -0.02 0.06
3 kr2 kr -1 2 0.40 -0.49 -0.04 0.23
4 ne3 ne -1 3 0.27 -0.09 0.23 0.11
5 ar3 ar -1 3 0.77 -0.82 -0.03 0.18
6 kr3 kr -1 3 1.18 -1.31 -0.17 0.45
7 ne4 ne -1 4 0.54 -0.14 0.46 0.24
8 ar4 ar -1 4 1.51 -1.35 0.18 0.59
9 ne6 ne -1 6 1.13 -0.37 0.88 0.45
10 hfNe ne hf -1 1 1 0.23 0.11 0.44 0.23
11 hfAr ar hf -1 1 1 0.59 -0.02 0.45 0.34
12 hfKr kr hf -1 1 1 0.72 -0.07 0.42 0.43
13 c2h2Ne ne c2h2 -1 1 1 0.12 -0.08 0.09 0.09
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.39 0.00 0.08
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.17 0.17 0.09
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.56 0.10 0.11
17 bzNe ne bz -1 1 1 0.40 -0.35 0.09 0.10
18 bzAr ar bz -1 1 1 1.12 -1.32 -0.06 0.17
MD -0.43 0.18 0.22
MAD 0.44 0.22 0.22
RMSD 0.63 0.31 0.27