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PArel results

Density functional: HSE03

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 -0.31 -0.26 -0.35
2 A0 A2 -1 1 8.50 -0.24 -0.20 -0.34
3 T1 T0 -1 1 2.94 0.07 0.13 0.12
4 T1 T2 -1 1 6.22 1.70 1.78 1.77
5 T1 T3 -1 1 7.19 1.79 1.87 1.87
6 arg2 arg0 -1 1 2.38 0.86 0.65 0.91
7 his1 his2 -1 1 1.19 -1.92 -1.47 -1.47
8 his1 his0 -1 1 0.79 0.22 0.16 0.25
9 his1 his3 -1 1 7.05 0.20 -0.02 0.04
10 sugar0 sugar2 -1 1 2.98 0.67 0.50 0.60
11 sugar0 sugar4 -1 1 3.41 0.43 0.43 0.46
12 sugar0 sugar3 -1 1 3.21 0.61 0.49 0.54
13 aminocoohbz2 aminocoohbz1 -1 1 0.60 5.90 5.85 5.78
14 aminocoohbz2 aminocoohbz3 -1 1 7.21 3.36 3.21 3.41
15 h4p2o71 h4p2o72 -1 1 2.36 0.64 0.12 0.52
16 h2s2o71 h2s2o72 -1 1 17.88 -0.52 -0.82 -0.20
17 s4o42 s4o41 -1 1 11.20 0.32 0.40 0.73
18 c2h2f41 c2h2f42 -1 1 1.27 -1.64 -1.41 -1.68
19 c2cl43 c2cl42 -1 1 2.47 1.58 1.75 1.22
20 c2cl43 c2cl41 -1 1 2.15 -0.23 0.13 -0.70
MD 0.67 0.66 0.67
MAD 1.16 1.08 1.15
RMSD 1.79 1.74 1.75