Molecule

Orbital

Occupancy (e)

Bond Polarization (%)

Hybridization

Cycoocatdiene (C_2v)

C1-C2

1.98

C1, 70.7; C2, 70.7

C1, sp^1.54; C2, sp^1.54

C1-H1

1.98

C1, 77.3; H1, 63.5

C1, sp^2.59; H1, s

C2-H2

1.98

C2, 77.3; H2, 63.5

C2, sp^2.59; H2, s

[Rh(µ-Cl)(COD)]₂ (D_2h)

C1-C2

1.97

C1, 70.7; C2, 70.7

C1, sp^2.02; C2, sp^2.02

C1-H1

1.96

C1, 78.3; H1, 62.3

C1, sp^2.73; H1, s

C2-H2

1.96

C2, 78.3; H2, 62.3

C2, sp^2.73; H2, s

[Ir(µ-Cl)(COD)]₂ (D_2h)

C1-C2

1.97

C1, 70.7; C2, 70.7

C1, sp^2.15; C2, sp^2.15

C1-H1

1.96

C1, 78.2; H1, 62.4

C1, sp^2.79; H1, s

C2-H2

1.96

C2, 78.2; H2, 62.4

C2, sp^2.79; H1, s