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ALKBDE10 results

Density functional: HCTH

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 bef be f -1 1 1 138.7 0.90 0.90 2.89
2 beo be o -1 1 1 106.6 4.57 4.57 7.69
3 cao ca o -1 1 1 96.2 21.57 21.57 32.80
4 hf h f -1 1 1 142.1 0.87 0.87 1.18
5 kf k f -1 1 1 117.5 8.18 8.36 11.96
6 lif li f -1 1 1 139.2 1.86 1.88 3.59
7 lio li o -1 1 1 82.5 -0.03 -0.01 2.71
8 mgo mg o -1 1 1 62.2 -1.14 -1.14 4.85
9 mgs mg s -1 1 1 56.7 -7.50 -7.48 16.88
10 nao na o -1 1 1 65.2 1.93 2.01 6.06
MD 3.12 3.15 9.06
MAD 4.85 4.88 9.06
RMSD 7.87 7.89 12.86