HF/6-311 + G(d.p)

MPW1PW91/6-311 + G(d.p)

Nsp²

O_carbonyl

Nsp³

Nsp²

O_carbonyl

Nsp³

214.401

199.773

180.930

214.236

205.061

178.953

(%)

100

0

0

100

0

0