Tautomerism in 11-Hydroxyaklavinone: A DFT Study

Table 1

Total energy (au) values of the structures considered.

Structure	RB3LYP/6–31G(d)		RB3LYP/6–31G(d,p)
	Total energy	Corrected total energy	Total energy	Corrected total energy
A1	−1527.42	−1527.02	−1527.47	−1527.07
A2	−1527.44	−1527.04	−1527.49	−1527.10
A3	−1527.45	−1527.05	−1527.50	−1527.10
A4	−1527.44	−1527.04	−1527.49	−1527.09
A5	−1527.44	−1527.04	−1527.49	−1527.09
A6	−1527.44	−1527.04	−1527.49	−1527.10