Table 1. Percent contributions of ¹Ψ₀ and ¹Ψ₃ to the ground state wavefunctions for 1–4, 6 and 8, as determined by CAS(2,2) and CAS(2,2)/MR-DDCI3 computational methods.

Compound	CASSCF		MR-DDCI3
	%1Ψ0	%1Ψ3	%1Ψ0	%1Ψ3
1	82.08	17.92	83.51	8.27
2	79.84	20.16	83.30	8.54
3	82.69	17.31	85.35	6.33
4	91.82	8.18	89.87	2.39
6	80.36	19.64	83.43	8.28
8	88.35	11.65	88.73	2.19