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AHB21 results

Density functional: DSD-BLYP

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 1 1A 1B 1 -1 -1 -17.79 0.13 -0.07 -0.03
2 2 2A 2B 1 -1 -1 -32.50 -0.02 -0.17 -0.15
3 3 3A 3B 1 -1 -1 -65.68 -0.25 -0.31 -0.33
4 4 4A 4B 1 -1 -1 -8.98 0.28 -0.01 -0.07
5 5 5A 5B 1 -1 -1 -15.61 0.50 0.24 0.17
6 6 6A 6B 1 -1 -1 -25.52 -0.01 -0.14 -0.27
7 7 7A 7B 1 -1 -1 -14.35 0.44 0.12 -0.14
8 8 8A 8B 1 -1 -1 -41.79 -0.58 -0.76 -1.18
9 9 9A 9B 1 -1 -1 -17.03 0.11 -0.14 -0.12
10 10 10A 10B 1 -1 -1 -37.31 -0.25 -0.43 -0.45
11 11 11A 11B 1 -1 -1 -7.97 0.27 0.04 -0.00
12 12 12A 12B 1 -1 -1 -14.13 0.14 -0.13 -0.13
13 13 13A 13B 1 -1 -1 -26.01 -0.27 -0.50 -0.51
14 14 14A 14B 1 -1 -1 -11.07 0.31 -0.01 -0.12
15 15 15A 15B 1 -1 -1 -8.62 0.34 0.04 -0.06
16 16 16A 16B 1 -1 -1 -15.73 0.15 -0.13 -0.27
17 17 17A 17B 1 -1 -1 -26.24 -0.16 -0.36 -0.49
18 18 18A 18B 1 -1 -1 -12.80 0.96 0.12 0.25
19 19 19A 19B 1 -1 -1 -20.65 0.72 0.02 0.11
20 20 20A 20B 1 -1 -1 -21.03 0.60 -0.05 0.12
21 21 21A 21B 1 -1 -1 -31.40 -0.17 -0.44 -0.44
MD 0.15 -0.15 -0.20
MAD 0.32 0.20 0.26
RMSD 0.39 0.28 0.36