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Bonding and anti-bonding combinations of p(z)-orbitals: a single node (pi).

Bonding and anti-bonding combinations of p(z)-orbitals: a single node (pi).

HOMO
(degenerate pair, non-zero terms)
C1 2pz 0.577350 -0.000000
C2 2pz 0.288675 -0.500000
C3 2pz-0.288675 -0.500000
C4 2pz-0.577350 0.000000
C5 2pz 0.288675 0.500000
C6 2pz-0.288675 0.500000


Bonding and anti-bonding combinations of p(z)-orbitals: two nodes (pi*).

Bonding and anti-bonding combinations of p(z)-orbitals: two nodes (pi*).

LUMO
(degenerate pair, non-zero terms)
C1 2pz -0.000000 0.577350
C2 2pz -0.500000 -0.288675
C3 2pz 0.500000 -0.288675
C4 2pz -0.000000 0.577350
C5 2pz 0.500000 -0.288675
C6 2pz -0.500000 -0.288675