Tautomerism in 11-Hydroxyaklavinone: A DFT Study

Table 4

G° and relative G° (kJ/mol) values of the structures considered.

Structure	RB3LYP/6–31G(d)		RB3LYP/6–31G(d,p)
	G^∘	Rel G^∘	G^∘	Rel G^∘
A1	−4009341.81	82.77	−4009474.40	84.60
A2	−4009405.41	19.17	−4009539.59	19.41
A3	−4009424.58	0	−4009559.00	0
A4	−4009395.43	29.15	−4009529.11	29.89
A5	−4009392.24	32.34	−4009524.75	34.25
A6	−4009407.42	17.16	−4009541.43	17.57