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RG18 results

Density functional: B1P86

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 -0.34 -0.22 -0.28
2 ar2 ar -1 2 0.27 -0.72 -0.38 -0.36
3 kr2 kr -1 2 0.40 -0.80 -0.28 -0.23
4 ne3 ne -1 3 0.27 -0.99 -0.64 -0.81
5 ar3 ar -1 3 0.77 -1.66 -0.80 -0.69
6 kr3 kr -1 3 1.18 -2.07 -0.73 -0.53
7 ne4 ne -1 4 0.54 -1.78 -1.10 -1.41
8 ar4 ar -1 4 1.51 -2.77 -1.08 -0.86
9 ne6 ne -1 6 1.13 -3.63 -2.23 -2.84
10 hfNe ne hf -1 1 1 0.23 -0.37 -0.06 -0.26
11 hfAr ar hf -1 1 1 0.59 -0.49 -0.03 -0.20
12 hfKr kr hf -1 1 1 0.72 -0.54 -0.04 -0.16
13 c2h2Ne ne c2h2 -1 1 1 0.12 -0.41 -0.20 -0.22
14 c2h2Ar ar c2h2 -1 1 1 0.33 -0.68 -0.22 -0.18
15 c2h6Ne ne c2h6 -1 1 1 0.24 -0.65 -0.24 -0.38
16 c2h6Ar ar c2h6 -1 1 1 0.54 -0.99 -0.24 -0.31
17 bzNe ne bz -1 1 1 0.40 -0.85 -0.31 -0.36
18 bzAr ar bz -1 1 1 1.12 -1.74 -0.31 -0.22
MD -1.19 -0.51 -0.57
MAD 1.19 0.51 0.57
RMSD 1.49 0.73 0.85