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G21EA results

Density functional: M052X

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)
1 EA_c EA_c- 1 -1 29.2 -0.08 -0.08
2 EA_o EA_o- 1 -1 33.7 -1.14 -1.14
3 EA_f EA_f- 1 -1 78.4 -0.48 -0.48
4 EA_si EA_si- 1 -1 32.1 -2.86 -2.86
5 EA_p EA_p- 1 -1 17.3 2.06 2.06
6 EA_s EA_s- 1 -1 48.0 1.87 1.87
7 EA_cl EA_cl- 1 -1 83.5 1.13 1.13
8 EA_8n EA_8 1 -1 27.9 0.12 0.12
9 EA_9n EA_9 1 -1 13.4 0.04 0.04
10 EA_10n EA_10 1 -1 1.2 -2.47 -2.47
11 EA_11n EA_11 1 -1 8.3 -2.29 -2.29
12 EA_12n EA_12 1 -1 16.8 -1.17 -1.17
13 EA_13n EA_13 1 -1 41.7 -1.34 -1.34
14 EA_14n EA_14 1 -1 29.3 -2.33 -2.33
15 EA_15n EA_15 1 -1 25.1 -1.10 -1.10
16 EA_16n EA_16 1 -1 31.4 1.01 1.01
17 EA_17n EA_17 1 -1 23.5 0.79 0.79
18 EA_18n EA_18 1 -1 28.8 -0.04 -0.04
19 EA_19n EA_19 1 -1 54.2 -0.29 -0.29
20 EA_20n EA_20 1 -1 9.5 -2.10 -2.10
21 EA_21n EA_21 1 -1 -0.2 4.77 4.77
22 EA_22n EA_22 1 -1 89.5 8.34 8.34
23 EA_23n EA_23 1 -1 24.9 1.74 1.74
24 EA_24n EA_24 1 -1 38.0 -1.03 -1.03
25 EA_25n EA_25 1 -1 54.7 4.30 4.30
MD 0.30 0.30
MAD 1.80 1.80
RMSD 2.54 2.54