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PArel results

Density functional: revTPSS

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 -0.47 -0.40 -0.49
2 A0 A2 -1 1 8.50 -0.67 -0.61 -0.78
3 T1 T0 -1 1 2.94 -0.22 -0.13 -0.12
4 T1 T2 -1 1 6.22 1.89 2.00 2.04
5 T1 T3 -1 1 7.19 2.06 2.16 2.20
6 arg2 arg0 -1 1 2.38 1.06 0.80 1.22
7 his1 his2 -1 1 1.19 -1.54 -0.96 -1.07
8 his1 his0 -1 1 0.79 0.07 -0.01 0.09
9 his1 his3 -1 1 7.05 -0.41 -0.71 -0.67
10 sugar0 sugar2 -1 1 2.98 1.37 1.15 1.32
11 sugar0 sugar4 -1 1 3.41 1.55 1.57 1.64
12 sugar0 sugar3 -1 1 3.21 1.41 1.26 1.32
13 aminocoohbz2 aminocoohbz1 -1 1 0.60 4.97 4.90 4.75
14 aminocoohbz2 aminocoohbz3 -1 1 7.21 1.31 1.12 1.25
15 h4p2o71 h4p2o72 -1 1 2.36 0.03 -0.71 -0.26
16 h2s2o71 h2s2o72 -1 1 17.88 -5.46 -5.89 -5.37
17 s4o42 s4o41 -1 1 11.20 2.20 2.30 2.37
18 c2h2f41 c2h2f42 -1 1 1.27 -1.74 -1.45 -1.89
19 c2cl43 c2cl42 -1 1 2.47 1.20 1.45 1.02
20 c2cl43 c2cl41 -1 1 2.15 -0.36 0.13 -0.73
MD 0.41 0.40 0.39
MAD 1.50 1.48 1.53
RMSD 2.05 2.08 2.04