Table 16. Mean unsigned errors (kcal mol–1) for the WCCR10 database.
| Functional a | Type | WCCR10 |
| MN15 | Hybrid meta-NGA | 5.04 |
| MN15-L | meta-NGA | 5.46 |
| PBE0 | Hybrid GGA | 6.40 |
| GAM | NGA | 6.60 |
| PBE | GGA | 7.58 |
| TPSSh | Hybrid meta-GGA | 7.62 |
| TPSS | GGA | 7.84 |
| B97-D-D2 | GGA + MM b | 8.59 |
| B3LYP | Hybrid GGA | 9.30 |
| BP86 | GGA | 9.42 |
| BP86-D3 | GGA + MM b | 10.62 |
aThe MN15, MN15-L, and GAM results are from the present calculations, but all other results in this table are from ref. 92.
bMM denotes molecular (also called empirical dispersion correction), which in this case corresponds to atom–atom pairwise damped dispersion terms added post-SCF to the calculated energy.