Table 1. TD-CAM-B3LYP/ma-TZVP Vertical Excitations of Benzene.

	TD-CAM-B3LYP/ma-TZVP		experimenta
	ΔE, eV	f	ΔE, eV	assignment
B2u	5.47	0.000	4.90	π–π*
B1u	6.13	0.000	6.20	π–π*
E1g	6.53	0.000	6.33	π–Ryd(s)
A2u	7.01	0.066	6.93	π–Ryd(pyz)
E1u	7.02	0.608	6.94	π–π*
E2u	7.13	0.000	6.95	π–Ryd(pyz)
A1u	7.27	0.000	N/A	π–Ryd(pyz)

^aReferences (56 and 57).