Table 1.
MUEs for the 411 energetic data remaining in AME418 after the TMD-BE7 subdatabase is removed and average rank on 10 subdatabases of AME418 as listed in SI Appendix, Table S4, except that TMBE30 is replaced by TML-BE23*
| Functional | MUE, kcal/mol | AR |
| revM06 | 1.91 | 3.1 |
| MN15 | 2.00 | 3.4 |
| MN15-L | 2.16 | 4.7 |
| M06-2X | 2.36 | 7.3 |
| M06 | 2.48 | 6.4 |
| M08-HX | 2.57 | 7.1 |
| ωB97X-D | 2.89 | 7.9 |
| revM06-L | 2.90 | 9.6 |
| B97-1 | 3.03 | 8.4 |
| M06-L | 3.49 | 10.3 |
| GAM | 4.43 | 12.8 |
| B3LYP | 4.60 | 13.9 |
| PBE0 | 4.79 | 11.8 |
| τ-HCTH | 5.21 | 16.0 |
| TPSS | 5.24 | 14.3 |
| MGGA_MS2 | 5.46 | 15.6 |
| VSXC | 5.93 | 14.9 |
| PW6B95-D3 (BJ) | 6.51 | 7.4 |
| PBE | 7.29 | 15.1 |
*
The TMBE30 subdatabase is divided into TMD-BE7 and TML-BE23 subdatabases. The TML-BE23 subdatabase of transition-metal bond energies consists of SR-TML-BE11 and MR-TML-BE12. AR devotes average rank.