ONIOM(HF/6-311+G(d,p):AM1)

ONIOM(B3LYP/6-311+G(d,p):AM1)

O₁sp³

O₂sp³

O₃sp²

O₄sp³

O₅sp²

O₆sp³

O₇sp³

O₈sp³

O₉sp³

107.33

127.29

145.32

26.19

159.68

117.22

154.20

113.56

156.55

222.64

222.71

231.57

195.15

233.20

223.10

228.35

198.89

223.26