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G21EA results

Density functional: B97-1

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 -0.35 -0.35 -0.35
2 EA_o EA_o- 1 -1 33.7 0.23 0.23 0.23
3 EA_f EA_f- 1 -1 78.4 -1.44 -1.44 -1.44
4 EA_si EA_si- 1 -1 32.1 -2.27 -2.27 -2.27
5 EA_p EA_p- 1 -1 17.3 1.48 1.48 1.48
6 EA_s EA_s- 1 -1 48.0 0.66 0.66 0.66
7 EA_cl EA_cl- 1 -1 83.5 -0.46 -0.46 -0.46
8 EA_8n EA_8 1 -1 27.9 -0.22 -0.22 -0.22
9 EA_9n EA_9 1 -1 13.4 1.04 1.01 1.04
10 EA_10n EA_10 1 -1 1.2 -1.55 -1.58 -1.55
11 EA_11n EA_11 1 -1 8.3 -0.75 -0.75 -0.75
12 EA_12n EA_12 1 -1 16.8 -2.18 -2.19 -2.18
13 EA_13n EA_13 1 -1 41.7 -2.59 -2.59 -2.59
14 EA_14n EA_14 1 -1 29.3 -1.97 -1.97 -1.96
15 EA_15n EA_15 1 -1 25.1 -0.81 -0.80 -0.80
16 EA_16n EA_16 1 -1 31.4 -1.04 -1.08 -1.03
17 EA_17n EA_17 1 -1 23.5 -0.12 -0.12 -0.12
18 EA_18n EA_18 1 -1 28.8 -1.23 -1.23 -1.23
19 EA_19n EA_19 1 -1 54.2 -1.88 -1.88 -1.88
20 EA_20n EA_20 1 -1 9.5 -2.78 -2.77 -2.78
21 EA_21n EA_21 1 -1 -0.2 3.46 3.46 3.46
22 EA_22n EA_22 1 -1 89.5 1.31 1.31 1.31
23 EA_23n EA_23 1 -1 24.9 0.87 0.87 0.87
24 EA_24n EA_24 1 -1 38.0 -1.34 -1.34 -1.37
25 EA_25n EA_25 1 -1 54.7 4.29 4.44 4.04
MD -0.39 -0.38 -0.40
MAD 1.45 1.46 1.44
RMSD 1.77 1.79 1.75