Table 3.
Functional | Type | WCCR10 |
revM06-L | Meta-GGA | 4.81 |
MN15 | Hybrid meta-NGA | 5.04 |
M06-L | Meta-GGA | 5.24 |
MN15-L | Meta-NGA | 5.46 |
PBE0 | Hybrid GGA | 6.40 |
GAM | NGA | 6.60 |
ωB97X-D | RS-hybrid GGA+MM* | 7.29 |
PBE | GGA | 7.58 |
TPSS | GGA | 7.84 |
B3LYP | Hybrid GGA | 9.30 |
MM denotes molecular mechanics dispersion corrections to the SCF energy.