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G21EA results

Density functional: O3LYP

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 3.79 3.79 3.79
2 EA_o EA_o- 1 -1 33.7 2.80 2.80 2.80
3 EA_f EA_f- 1 -1 78.4 4.38 4.38 4.38
4 EA_si EA_si- 1 -1 32.1 -0.94 -0.94 -0.94
5 EA_p EA_p- 1 -1 17.3 1.59 1.59 1.59
6 EA_s EA_s- 1 -1 48.0 0.64 0.64 0.64
7 EA_cl EA_cl- 1 -1 83.5 0.74 0.74 0.74
8 EA_8n EA_8 1 -1 27.9 4.42 4.42 4.42
9 EA_9n EA_9 1 -1 13.4 0.77 0.75 0.78
10 EA_10n EA_10 1 -1 1.2 -0.11 -0.14 -0.11
11 EA_11n EA_11 1 -1 8.3 1.15 1.15 1.15
12 EA_12n EA_12 1 -1 16.8 0.77 0.76 0.77
13 EA_13n EA_13 1 -1 41.7 1.49 1.49 1.49
14 EA_14n EA_14 1 -1 29.3 -0.36 -0.36 -0.36
15 EA_15n EA_15 1 -1 25.1 0.77 0.78 0.77
16 EA_16n EA_16 1 -1 31.4 -2.33 -2.38 -2.32
17 EA_17n EA_17 1 -1 23.5 -0.24 -0.24 -0.24
18 EA_18n EA_18 1 -1 28.8 -1.02 -1.01 -1.02
19 EA_19n EA_19 1 -1 54.2 -1.33 -1.33 -1.33
20 EA_20n EA_20 1 -1 9.5 -4.61 -4.60 -4.61
21 EA_21n EA_21 1 -1 -0.2 4.72 4.72 4.72
22 EA_22n EA_22 1 -1 89.5 -0.88 -0.88 -0.88
23 EA_23n EA_23 1 -1 24.9 1.77 1.77 1.77
24 EA_24n EA_24 1 -1 38.0 -3.78 -3.78 -3.81
25 EA_25n EA_25 1 -1 54.7 2.28 2.44 2.08
MD 0.66 0.66 0.65
MAD 1.91 1.92 1.90
RMSD 2.42 2.42 2.41