Table 2. Specific Details for the S₀/T₁ MECP Optimizations^a.

Structure	Specific changes
(g), (h)	S0 with SA(2)
(i), (j), (k)	CASSCF(2,2)
(m)	S0 with SA(2)
(n), (o)	S1/T1 MECP, S1 with SA(2)
(r), (s)	S0 with SA(3)

^aBy default, active spaces are the same as those in Table 1, with no state averaging. The notations CASSCF(n_e,n_o) and SA(n_s) are used.