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RG18 results

Density functional: B97-1

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 0.04 0.11 0.09
2 ar2 ar -1 2 0.27 -0.09 0.24 0.20
3 kr2 kr -1 2 0.40 -0.21 0.38 0.29
4 ne3 ne -1 3 0.27 0.07 0.26 0.21
5 ar3 ar -1 3 0.77 -0.29 0.44 0.43
6 kr3 kr -1 3 1.18 -0.61 0.77 0.59
7 ne4 ne -1 4 0.54 0.11 0.48 0.39
8 ar4 ar -1 4 1.51 -0.71 0.66 0.67
9 ne6 ne -1 6 1.13 0.15 0.91 0.74
10 hfNe ne hf -1 1 1 0.23 0.13 0.43 0.22
11 hfAr ar hf -1 1 1 0.59 0.09 0.59 0.35
12 hfKr kr hf -1 1 1 0.72 0.11 0.70 0.49
13 c2h2Ne ne c2h2 -1 1 1 0.12 0.04 0.14 0.17
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.12 0.17 0.22
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.01 0.19 0.18
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.24 0.23 0.25
17 bzNe ne bz -1 1 1 0.40 -0.11 0.14 0.23
18 bzAr ar bz -1 1 1 1.12 -0.75 0.26 0.34
MD -0.13 0.39 0.34
MAD 0.22 0.39 0.34
RMSD 0.31 0.46 0.38