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 |
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