Tautomerism in 11-Hydroxyaklavinone: A DFT Study

Table 2

Total energy (au) values of the structures considered in aqueous medium.

Structure	RB3LYP/6–31G(d)		RB3LYP/6–31G(d,p)
	Total energy	Corrected total energy	Total energy	Corrected total energy
A1	−1527.45	−1527.06	−1527.56	−1527.16
A2	−1527.53	−1527.14	−1527.59	−1527.20
A3	−1527.47	−1527.07	−1527.52	−1527.13
A4	−1527.53	−1527.13	−1527.58	−1527.18
A5	−1527.46	−1527.07	−1527.52	−1527.12
A6	−1527.54	−1527.14	−1527.59	−1527.20