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G21EA results

Density functional: τHCTH

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 5.12 5.12 5.12
2 EA_o EA_o- 1 -1 33.7 2.59 2.59 2.59
3 EA_f EA_f- 1 -1 78.4 6.35 6.35 6.35
4 EA_si EA_si- 1 -1 32.1 0.92 0.92 0.92
5 EA_p EA_p- 1 -1 17.3 2.70 2.70 2.70
6 EA_s EA_s- 1 -1 48.0 1.68 1.68 1.68
7 EA_cl EA_cl- 1 -1 83.5 2.10 2.10 2.10
8 EA_8n EA_8 1 -1 27.9 6.29 6.29 6.29
9 EA_9n EA_9 1 -1 13.4 2.66 2.60 2.66
10 EA_10n EA_10 1 -1 1.2 2.26 2.20 2.26
11 EA_11n EA_11 1 -1 8.3 1.56 1.56 1.56
12 EA_12n EA_12 1 -1 16.8 2.58 2.58 2.58
13 EA_13n EA_13 1 -1 41.7 3.57 3.57 3.57
14 EA_14n EA_14 1 -1 29.3 2.15 2.15 2.16
15 EA_15n EA_15 1 -1 25.1 3.65 3.66 3.65
16 EA_16n EA_16 1 -1 31.4 0.72 0.71 0.75
17 EA_17n EA_17 1 -1 23.5 0.85 0.85 0.85
18 EA_18n EA_18 1 -1 28.8 0.53 0.53 0.52
19 EA_19n EA_19 1 -1 54.2 0.23 0.23 0.23
20 EA_20n EA_20 1 -1 9.5 -1.93 -1.93 -1.93
21 EA_21n EA_21 1 -1 -0.2 9.09 9.10 9.09
22 EA_22n EA_22 1 -1 89.5 -1.22 -1.22 -1.22
23 EA_23n EA_23 1 -1 24.9 4.79 4.80 4.79
24 EA_24n EA_24 1 -1 38.0 -1.49 -1.49 -1.67
25 EA_25n EA_25 1 -1 54.7 9.92 10.16 8.58
MD 2.71 2.71 2.65
MAD 3.08 3.08 3.03
RMSD 3.97 3.99 3.84