C10-C11

1.390

1.353

C11-C12

1.395

1.449

C12-C13

1.389

1.353

C13-C8

1.401

1.445

C9-O2

1.364

1.225

O2-H10

0.963

-

C3-O3

1.358

1.357

O3-C14

1.421

1.436

C6-C1-C2

119.07

121.04

C1-C2-C3

120.33

115.54

C2-C3-C4

119.27

119.62

C3-C4-C5

120.47

122.49

C4-C5-C6

120.51

120.81

C5-C6-C1

120.33

119.67

C1-C2-O1

123.97

121.19

C3-C2-O1

115.70

123.26

C2-O1-H4

110.09

-

C2-C1-C7

118.44

117.32

C6-C1-C7

122.24

121.63

C1-C7-H5

114.35

118.53

C1-C7-N1

132.26

124.11

H5-C7-N1

113.29

117.09

C7-N1-C8

125.67

127.71

N1-C8-C9

122.89

120.95

N1-C8-C13

118.12

119.77

C8-C9-C10

119.81

116.19

C9-C10-C11

120.69

120.84

C10-C11-C12

120.01

122.25

C11-C12-C13

119.54

121.05

C12-C13-C8

121.29

120.37

C8-C9-O2

122.97

120.36

C10-C9-O2

117.21

123.44

C9-O2-H10

109.36

-

C2-C3-O3

115.24

121.63

C4-C3-O3

125.49

118.13

C3-O3-C14

118.15

119.07

Bond parameters

VA

Neutral

Diradical

C1-C2

1.406

1.478

C2-C3

1.414

1.476

C3-C4

1.389

1.367

C4-C5

1.401

1.428

C5-C6

1.379

1.363

C6-C1

1.411

1.427

C2-O1

1.362

1.236

O1-H4

0.962

-

C1-C7

1.477

1.384

C7-H5

1.097

1.090

C7-N1

1.280

1.339

N1-C8

1.411

1.293

C8-C9

1.411

1.516

C9-C10

1.394

1.461

C10-C11

1.390

1.353

C11-C12

1.395

1.449

C12-C13

1.389

1.353

C13-C8

1.401

1.445

C9-O2

1.364

1.225

O2-H10

0.963

-

C3-O3

1.358

1.357

O3-C14

1.421

1.436

C6-C1-C2

119.07

121.04

C1-C2-C3

120.33

115.54

C2-C3-C4

119.27

119.62

C3-C4-C5

120.47

122.49

C4-C5-C6

120.51

120.81

C5-C6-C1

120.33

119.67

C1-C2-O1

123.97

121.19

C3-C2-O1

115.70

123.26

C2-O1-H4

110.09

-

C2-C1-C7

118.44

117.32

C6-C1-C7

122.24

121.63

C1-C7-H5

114.35

118.53

C1-C7-N1

132.26

124.11

H5-C7-N1

113.29

117.09

C7-N1-C8

125.67

127.71