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G21EA results

Density functional: revPBE

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 6.14 6.14 6.14
2 EA_o EA_o- 1 -1 33.7 5.10 5.10 5.10
3 EA_f EA_f- 1 -1 78.4 3.15 3.15 3.15
4 EA_si EA_si- 1 -1 32.1 1.90 1.90 1.90
5 EA_p EA_p- 1 -1 17.3 3.09 3.09 3.09
6 EA_s EA_s- 1 -1 48.0 0.84 0.84 0.84
7 EA_cl EA_cl- 1 -1 83.5 -0.75 -0.75 -0.75
8 EA_8n EA_8 1 -1 27.9 6.12 6.12 6.12
9 EA_9n EA_9 1 -1 13.4 2.35 2.28 2.36
10 EA_10n EA_10 1 -1 1.2 0.53 0.45 0.54
11 EA_11n EA_11 1 -1 8.3 3.52 3.52 3.52
12 EA_12n EA_12 1 -1 16.8 0.94 0.93 0.94
13 EA_13n EA_13 1 -1 41.7 1.27 1.27 1.27
14 EA_14n EA_14 1 -1 29.3 2.23 2.23 2.23
15 EA_15n EA_15 1 -1 25.1 3.34 3.35 3.34
16 EA_16n EA_16 1 -1 31.4 -1.40 -1.41 -1.34
17 EA_17n EA_17 1 -1 23.5 0.42 0.42 0.42
18 EA_18n EA_18 1 -1 28.8 -1.05 -1.05 -1.05
19 EA_19n EA_19 1 -1 54.2 -2.00 -2.00 -2.00
20 EA_20n EA_20 1 -1 9.5 -1.13 -1.13 -1.13
21 EA_21n EA_21 1 -1 -0.2 5.74 5.74 5.74
22 EA_22n EA_22 1 -1 89.5 -4.35 -4.35 -4.35
23 EA_23n EA_23 1 -1 24.9 3.21 3.21 3.21
24 EA_24n EA_24 1 -1 38.0 -3.00 -2.99 -3.01
25 EA_25n EA_25 1 -1 54.7 5.30 5.61 5.17
MD 1.66 1.67 1.66
MAD 2.76 2.76 2.75
RMSD 3.29 3.31 3.28