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RG18 results

Density functional: PW91

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(BJ)
1 ne2 ne -1 2 0.08 0.24 0.28
2 ar2 ar -1 2 0.27 0.06 0.25
3 kr2 kr -1 2 0.40 -0.09 0.14
4 ne3 ne -1 3 0.27 0.59 0.71
5 ar3 ar -1 3 0.77 0.09 0.59
6 kr3 kr -1 3 1.18 -0.36 0.29
7 ne4 ne -1 4 0.54 1.02 1.26
8 ar4 ar -1 4 1.51 -0.14 0.84
9 ne6 ne -1 6 1.13 1.90 2.42
10 hfNe ne hf -1 1 1 0.23 0.37 0.44
11 hfAr ar hf -1 1 1 0.59 0.31 0.47
12 hfKr kr hf -1 1 1 0.72 0.38 0.57
13 c2h2Ne ne c2h2 -1 1 1 0.12 0.24 0.36
14 c2h2Ar ar c2h2 -1 1 1 0.33 0.00 0.29
15 c2h6Ne ne c2h6 -1 1 1 0.24 0.23 0.41
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.08 0.32
17 bzNe ne bz -1 1 1 0.40 0.13 0.45
18 bzAr ar bz -1 1 1 1.12 -0.70 0.15
MD 0.23 0.57
MAD 0.39 0.57
RMSD 0.59 0.77