Table 9.
MAD | ||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|
D0 | Expt. | 57.7a | 52.3b | 48.6c | 29.0d | 50.0e | 56.0f | 47.5g | 43.8g | 28.5h | ||
De | Expt. | 60 | 56.8 | 52.8 | 31.5 | 53.1 | 59.4 | 50.8 | 46.9 | 30.9 | ||
Errors | De | QCISD(T) (L2)j | −3.6 | −0.8 | −7.5 | −6.8 | −9.1 | −7.6 | −2.7 | −12.7 | −16.6 | 7.5 |
MCPF (L2)j | −8.5 | −6 | −10 | −4.6 | −12.2 | −8.5 | −5.2 | −10 | −5.5 | −7.8 | ||
MCPF (W)k | −9.4 | −10.9 | −13.3 | −9 | −12.9 | −9.5 | −8.5 | −12.2 | ⋯ | 10.7 | ||
CCSD(T) (W)k | −7.4 | ⋯ | −10.4 | −5.3 | −11.4 | −7.6 | −5.6 | −6.8 | ⋯ | 7.8 | ||
De | LACV3P** | 1.3 | 2.5 | −1.5 | 4.9 | −2.6 | 3.8 | 4.3 | 4.2 | 7.4 | 3.6 | |
LACV3P++** | 0.7 | 2 | −1.9 | 4.3 | −3 | 3.6 | 3.2 | 3.3 | 6.6 | 3.2 | ||
QZVP(−g) | 2.3 | 5.4 | −3.9 | 5.6 | −0.3 | 5.9 | 1.5 | 1.1 | 6.8 | 3.6 |