Bond parameters

SA

Neutral

Diradical

C1-C2

1..408

1.482

C2-C3

1.396

1.459

C3-C4

1.390

1.358

C4-C5

1.396

1.439

C5-C6

1.387

1.359

C6-C1

1.403

1.436

C2-O1

1.367

1.234

O1-H5

0.963

-

C1-C7

1.467

1.376

C7-H6

1.094

1.092

C7-N1

1.278

1.340

N1-C8

1.400

1.280

C8-C9

1.413

1.528

C9-C10

1.393

1.472

C10-C11

1.394

1.348

C11-C12

1.391

1,454

C12-C13

1.393

1.349

C13-C8

1.401

1.456

C9-O2

1.363

1.214

O2-H11

0.963

-

C6-C1-C2

118.35

120.47

C1-C2-C3

120.37

115.51

C2-C3-C4

120.11

121.15

C3-C4-C5

120.26

122.19

C4-C5-C6

119.51

120.00

C5-C6-C1

121.41

120.51

C1-C2-O1

117.89

121.23

C3-C2-O1

121.75

123.26

C2-O1-H5

109.23

-

C2-C1-C7

120.45

118.16

C6-C1-C7

121.20

121.35

C1-C7-H6

116.26

118.70

C1-C7-N1

121.68

125.96

H6-C7-N1

122.06

114.94

C7-N1-C8

120.11

132.23