1a

1b

R₂

Atomes

P₁

P₂

C₁

C₂

Mulliken

$f_k^{+}$

0.352

−0.245

$f_k^{-}$

0.358

0.218

${\omega }_k$

0.4872

−0.339

$N_k$

0.904

0.598

NPA

$f_k^{+}$

0.358

0

$f_k^{-}$

0.092

0.313

${\omega }_k$

0.4880

0.208

$N_k$

0.252

0.858