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AHB21 results

Density functional: M062X

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 1 1A 1B 1 -1 -1 -17.79 -0.65 -0.66
2 2 2A 2B 1 -1 -1 -32.50 -2.05 -2.05
3 3 3A 3B 1 -1 -1 -65.68 -3.63 -3.63
4 4 4A 4B 1 -1 -1 -8.98 0.04 0.03
5 5 5A 5B 1 -1 -1 -15.61 -0.31 -0.31
6 6 6A 6B 1 -1 -1 -25.52 -0.78 -0.78
7 7 7A 7B 1 -1 -1 -14.35 0.09 0.09
8 8 8A 8B 1 -1 -1 -41.79 -1.48 -1.48
9 9 9A 9B 1 -1 -1 -17.03 -0.99 -1.01
10 10 10A 10B 1 -1 -1 -37.31 -3.01 -3.01
11 11 11A 11B 1 -1 -1 -7.97 0.20 0.15
12 12 12A 12B 1 -1 -1 -14.13 -0.12 -0.16
13 13 13A 13B 1 -1 -1 -26.01 -0.85 -0.86
14 14 14A 14B 1 -1 -1 -11.07 0.72 0.67
15 15 15A 15B 1 -1 -1 -8.62 -0.05 -0.07
16 16 16A 16B 1 -1 -1 -15.73 -0.44 -0.45
17 17 17A 17B 1 -1 -1 -26.24 -0.90 -0.91
18 18 18A 18B 1 -1 -1 -12.80 -0.44 -0.53
19 19 19A 19B 1 -1 -1 -20.65 -0.36 -0.44
20 20 20A 20B 1 -1 -1 -21.03 -1.04 -1.06
21 21 21A 21B 1 -1 -1 -31.40 -1.53 -1.54
MD -0.84 -0.86
MAD 0.94 0.95
RMSD 1.32 1.33