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RG18 results

Density functional: HCTH

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 0.33 0.44 0.43
2 ar2 ar -1 2 0.27 0.23 0.79 0.66
3 kr2 kr -1 2 0.40 0.07 1.06 0.74
4 ne3 ne -1 3 0.27 0.86 1.20 1.15
5 ar3 ar -1 3 0.77 0.64 1.86 1.60
6 kr3 kr -1 3 1.18 0.25 2.56 1.79
7 ne4 ne -1 4 0.54 1.56 2.19 2.11
8 ar4 ar -1 4 1.51 0.91 3.23 2.75
9 ne6 ne -1 6 1.13 3.06 4.35 4.20
10 hfNe ne hf -1 1 1 0.23 0.44 0.94 0.69
11 hfAr ar hf -1 1 1 0.59 0.26 1.10 0.92
12 hfKr kr hf -1 1 1 0.72 0.17 1.16 1.10
13 c2h2Ne ne c2h2 -1 1 1 0.12 0.38 0.56 0.57
14 c2h2Ar ar c2h2 -1 1 1 0.33 0.22 0.70 0.66
15 c2h6Ne ne c2h6 -1 1 1 0.24 0.43 0.77 0.75
16 c2h6Ar ar c2h6 -1 1 1 0.54 0.19 0.98 0.89
17 bzNe ne bz -1 1 1 0.40 0.34 0.76 0.80
18 bzAr ar bz -1 1 1 1.12 -0.61 1.08 0.84
MD 0.54 1.43 1.26
MAD 0.61 1.43 1.26
RMSD 0.92 1.75 1.56