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PArel results

Density functional: HSE06

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 A0 A1 -1 1 1.61 -0.32 -0.35 -0.34
2 A0 A2 -1 1 8.50 -0.26 -0.36 -0.34
3 T1 T0 -1 1 2.94 0.08 0.10 0.12
4 T1 T2 -1 1 6.22 1.69 1.75 1.77
5 T1 T3 -1 1 7.19 1.78 1.84 1.86
6 arg2 arg0 -1 1 2.38 0.87 0.89 0.92
7 his1 his2 -1 1 1.19 -1.90 -1.59 -1.49
8 his1 his0 -1 1 0.79 0.23 0.27 0.28
9 his1 his3 -1 1 7.05 0.18 -0.02 0.05
10 sugar0 sugar2 -1 1 2.98 0.72 0.56 0.64
11 sugar0 sugar4 -1 1 3.41 0.52 0.56 0.53
12 sugar0 sugar3 -1 1 3.21 0.67 0.53 0.58
13 aminocoohbz2 aminocoohbz1 -1 1 0.60 5.89 5.82 5.78
14 aminocoohbz2 aminocoohbz3 -1 1 7.21 3.42 3.29 3.41
15 h4p2o71 h4p2o72 -1 1 2.36 0.60 0.17 0.47
16 h2s2o71 h2s2o72 -1 1 17.88 -0.59 -0.85 -0.56
17 s4o42 s4o41 -1 1 11.20 0.25 0.15 0.33
18 c2h2f41 c2h2f42 -1 1 1.27 -1.67 -1.55 -1.71
19 c2cl43 c2cl42 -1 1 2.47 1.64 1.59 1.46
20 c2cl43 c2cl41 -1 1 2.15 -0.25 -0.25 -0.51
MD 0.68 0.63 0.66
MAD 1.18 1.12 1.16
RMSD 1.80 1.75 1.76