Table 2.

Transition energy ΔE (cm⁻¹), doubly excited character %D (%), oscillator strength f, and |Δμ| [Debye] of S₀ → S₁, S₀ → S₂ and S₀ → S₃ transitions of (a) per, (b) B-1, (c) 9Z-B-1, (d) C-1, (e) C-1-R, and (f) D-1 predicted by MNDO-PSDCI calculations.

	S0 → S1	S0 → S2	S0 → S3		S0 → S1	S0 → S2	S0 → S3
(a)				(b)
ΔE	17730	20700	25300	ΔE	18310	21140	25750
%D	31	30	50	%D	31	27	50
f	0.782	1.616	0.108	f	0.795	1.594	0.106
|Δμ|	12.5	1.25	5.82	|Δμ|	11.5	2.31	3.14
(c)				(d)
ΔE	18162	20960	25440	ΔE	18100	20860	25750
%D	33	26	53	%D	32	28	49
f	0.639	1.543	0.086	f	0.779	1.653	0.129
|Δμ|	10.3	2.22	1.53	|Δμ|	12.1	1.52	4.85
(e)				(f)
ΔE	18360	21702	27530	ΔE	16950	19660	23650
%D	36	25	46	%D	43	21	52
f	0.505	1.467	0.092	f	0.425	1.946	0.118
|Δμ|	10.3	1.51	1.56	|Δμ|	10.8	1.37	4.98