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AHB21 results

Density functional: M05

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 0.06 -0.16
2 2 2A 2B 1 -1 -1 -32.50 0.13 -0.01
3 3 3A 3B 1 -1 -1 -65.68 -1.78 -1.83
4 4 4A 4B 1 -1 -1 -8.98 0.14 -0.17
5 5 5A 5B 1 -1 -1 -15.61 0.07 -0.17
6 6 6A 6B 1 -1 -1 -25.52 -0.58 -0.70
7 7 7A 7B 1 -1 -1 -14.35 0.31 0.01
8 8 8A 8B 1 -1 -1 -41.79 -1.87 -2.02
9 9 9A 9B 1 -1 -1 -17.03 -0.21 -0.50
10 10 10A 10B 1 -1 -1 -37.31 -1.03 -1.22
11 11 11A 11B 1 -1 -1 -7.97 0.17 -0.13
12 12 12A 12B 1 -1 -1 -14.13 0.02 -0.29
13 13 13A 13B 1 -1 -1 -26.01 -0.69 -0.95
14 14 14A 14B 1 -1 -1 -11.07 0.31 -0.06
15 15 15A 15B 1 -1 -1 -8.62 -0.06 -0.39
16 16 16A 16B 1 -1 -1 -15.73 -0.10 -0.38
17 17 17A 17B 1 -1 -1 -26.24 -0.88 -1.08
18 18 18A 18B 1 -1 -1 -12.80 0.91 -0.07
19 19 19A 19B 1 -1 -1 -20.65 0.91 0.11
20 20 20A 20B 1 -1 -1 -21.03 0.65 0.04
21 21 21A 21B 1 -1 -1 -31.40 -0.44 -0.74
MD -0.19 -0.51
MAD 0.54 0.52
RMSD 0.75 0.78