back to GMTKN55 main page   back to GMTKN55 database sorted by functionals
back to TAUT15 main page   back to M05 main page

TAUT15 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 1a 1b -1 1 4.30 -1.68 -2.16
2 2a 2b -1 1 6.56 -1.22 -1.34
3 3a 3b -1 1 -5.44 -2.99 -3.06
4 3a 3c -1 1 5.25 -1.54 -2.00
5 3a 3d -1 1 13.03 0.95 0.85
6 4a 4b -1 1 0.93 -2.33 -2.44
7 5a 5b -1 1 0.74 -2.24 -2.36
8 5a 5c -1 1 1.45 -1.24 -1.47
9 6a 6b -1 1 -0.17 -1.73 -1.87
10 6a 6c -1 1 -0.87 -1.37 -1.54
11 6a 6d -1 1 2.85 0.28 0.26
i12 7a 7b -1 1 2.15 0.77 0.76
13 8a 8b -1 1 0.55 -0.03 -0.06
14 9a 9b -1 1 0.95 1.30 1.35
15 10a 10b -1 1 -0.45 -2.25 -2.31
MD -1.02 -1.16
MAD 1.46 1.59
RMSD 1.65 1.79