Table 4.

Results of the linear regression of the predicted interaction energy data for eight configurations of 9H-xanthene⋯phenol and eleven configurations of 9H-xanthene⋯toluene. The model is $\left\{y\right\}=a\times \left\{x\right\}+b$, where $\left\{x\right\}$ is shorthand notation for the canonical CCSD(T)/CBS data, and symbols $a$, $b$, $\sigma$ and $\left|r_{\mathrm{m}\mathrm{a}\mathrm{x}}\right|$ stand for a slope, intercept, standard deviation of residuals and an absolute value of the maximum residual of this model, respectively.

$\mathbf{Method} \mathbf{to} \mathbf{Obtain} \left\{\mathit{y}\right\}$	Statistical Parameter
	$\mathit{a}$	$\mathit{b}$/kJ/mol	$\mathit{\sigma }$/kJ/mol	$\left|{\mathit{r}}_{\mathbf{m}\mathbf{a}\mathbf{x}}\right|$/kJ/mol	$\mathbf{Adjusted} {\mathit{R}}^2$
DLPNO-CCSD(T)/CBS	0.9952	–0.994	0.315	0.643	0.9927
B3LYP-D3/def2-QZVPPD	1.0461	1.822	0.429	0.731	0.9888
B2PLYP-D3(BJ)/def2-QZVPPD	0.9567	–2.941	0.536	0.905	0.9792
ωB97X-3c/vDZP	0.9714	–0.118	0.416	0.772	0.9878