The properties of the three excitations for five dyes calculated at TD-SCF/DFT/6-31+G(d).

Dye	Type	D (Å)	Sr	H (Å)	T (Å)	HDI	EDI
Dye A	S0 → S1	0.29	0.57	2.90	−1.57	15.36	7.65
	S0 → S2	3.30	0.64	3.53	0.17	7.05	7.76
	S0 → S3	3.57	0.40	2.57	1.32	23.20	8.13
Dye B	S0 → S1	0.55	0.54	2.76	−1.52	13.81	8.57
	S0 → S2	1.07	0.72	3.81	−2.18	6.39	7.15
	S0 → S3	1.77	0.47	2.31	−0.13	23.22	11.20
Dye C	S0 → S1	0.68	0.59	3.14	−1.48	11.90	7.52
	S0 → S2	2.26	0.66	2.70	−0.44	6.77	7.71
	S0 → S3	2.86	0.61	3.99	−0.19	5.47	6.77
Dye D	S0 → S1	2.16	0.62	3.17	0.19	6.71	9.65
	S0 → S2	0.53	0.62	2.99	−1.55	10.46	9.80
	S0 → S3	0.31	0.72	3.52	−1.81	6.12	8.98