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G21EA results

Density functional: OLYP

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 1.86 1.86 1.86
2 EA_o EA_o- 1 -1 33.7 2.17 2.17 2.17
3 EA_f EA_f- 1 -1 78.4 3.22 3.22 3.22
4 EA_si EA_si- 1 -1 32.1 -2.93 -2.93 -2.93
5 EA_p EA_p- 1 -1 17.3 0.43 0.43 0.43
6 EA_s EA_s- 1 -1 48.0 -1.51 -1.51 -1.51
7 EA_cl EA_cl- 1 -1 83.5 -1.96 -1.96 -1.96
8 EA_8n EA_8 1 -1 27.9 2.68 2.68 2.68
9 EA_9n EA_9 1 -1 13.4 0.60 0.43 0.65
10 EA_10n EA_10 1 -1 1.2 -0.86 -1.11 -0.80
11 EA_11n EA_11 1 -1 8.3 0.60 0.60 0.60
12 EA_12n EA_12 1 -1 16.8 -0.49 -0.50 -0.49
13 EA_13n EA_13 1 -1 41.7 0.39 0.39 0.39
14 EA_14n EA_14 1 -1 29.3 -2.14 -2.14 -2.13
15 EA_15n EA_15 1 -1 25.1 -0.85 -0.86 -0.86
16 EA_16n EA_16 1 -1 31.4 -4.53 -4.31 -4.31
17 EA_17n EA_17 1 -1 23.5 -2.15 -2.14 -2.15
18 EA_18n EA_18 1 -1 28.8 -3.29 -3.29 -3.30
19 EA_19n EA_19 1 -1 54.2 -3.75 -3.75 -3.75
20 EA_20n EA_20 1 -1 9.5 -5.65 -5.64 -5.66
21 EA_21n EA_21 1 -1 -0.2 3.80 3.81 3.80
22 EA_22n EA_22 1 -1 89.5 -6.24 -6.24 -6.24
23 EA_23n EA_23 1 -1 24.9 0.01 0.03 0.01
24 EA_24n EA_24 1 -1 38.0 -6.12 -6.07 -6.15
25 EA_25n EA_25 1 -1 54.7 2.76 3.86 2.18
MD -0.96 -0.92 -0.97
MAD 2.44 2.48 2.41
RMSD 3.02 3.05 2.99