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G21EA results

Density functional: rPW86PBE

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 EA_c EA_c- 1 -1 29.2 8.75 8.75 8.75
2 EA_o EA_o- 1 -1 33.7 11.65 11.65 11.65
3 EA_f EA_f- 1 -1 78.4 8.26 8.26 8.26
4 EA_si EA_si- 1 -1 32.1 3.44 3.44 3.44
5 EA_p EA_p- 1 -1 17.3 6.87 6.87 6.87
6 EA_s EA_s- 1 -1 48.0 4.32 4.32 4.32
7 EA_cl EA_cl- 1 -1 83.5 2.31 2.31 2.31
8 EA_8n EA_8 1 -1 27.9 8.58 8.58 8.58
9 EA_9n EA_9 1 -1 13.4 6.75 6.73 6.75
10 EA_10n EA_10 1 -1 1.2 3.61 3.60 3.62
11 EA_11n EA_11 1 -1 8.3 9.13 9.13 9.13
12 EA_12n EA_12 1 -1 16.8 5.00 5.00 5.00
13 EA_13n EA_13 1 -1 41.7 5.90 5.90 5.90
14 EA_14n EA_14 1 -1 29.3 3.77 3.77 3.77
15 EA_15n EA_15 1 -1 25.1 5.10 5.10 5.10
16 EA_16n EA_16 1 -1 31.4 2.21 2.18 2.23
17 EA_17n EA_17 1 -1 23.5 3.94 3.94 3.94
18 EA_18n EA_18 1 -1 28.8 1.92 1.92 1.92
19 EA_19n EA_19 1 -1 54.2 0.91 0.91 0.91
20 EA_20n EA_20 1 -1 9.5 5.91 5.91 5.91
21 EA_21n EA_21 1 -1 -0.2 9.44 9.44 9.44
22 EA_22n EA_22 1 -1 89.5 0.18 0.18 0.18
23 EA_23n EA_23 1 -1 24.9 5.88 5.88 5.88
24 EA_24n EA_24 1 -1 38.0 0.24 0.24 0.24
25 EA_25n EA_25 1 -1 54.7 11.04 11.13 11.01
MD 5.40 5.41 5.40
MAD 5.40 5.41 5.40
RMSD 6.28 6.28 6.27