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RG18 results

Density functional: τHCTH

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 0.06 0.19 0.15
2 ar2 ar -1 2 0.27 -0.15 0.26 0.34
3 kr2 kr -1 2 0.40 -0.30 0.30 0.56
4 ne3 ne -1 3 0.27 0.15 0.50 0.40
5 ar3 ar -1 3 0.77 -0.32 0.62 0.81
6 kr3 kr -1 3 1.18 -0.79 0.65 1.19
7 ne4 ne -1 4 0.54 0.26 0.93 0.75
8 ar4 ar -1 4 1.51 -0.90 0.91 1.28
9 ne6 ne -1 6 1.13 0.43 1.82 1.47
10 hfNe ne hf -1 1 1 0.23 0.06 0.50 0.24
11 hfAr ar hf -1 1 1 0.59 -0.14 0.55 0.40
12 hfKr kr hf -1 1 1 0.72 -0.15 0.62 0.65
13 c2h2Ne ne c2h2 -1 1 1 0.12 0.08 0.28 0.28
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.16 0.28 0.34
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.02 0.36 0.29
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.36 0.38 0.40
17 bzNe ne bz -1 1 1 0.40 -0.18 0.31 0.32
18 bzAr ar bz -1 1 1 1.12 -1.27 0.19 0.40
MD -0.21 0.53 0.57
MAD 0.32 0.53 0.57
RMSD 0.46 0.66 0.68