| 1 | Formaldehyde (Sigma and Pi Orbitals)
| CH2O
| HOMO-1
to LUMO
| 3 |
| 2 | Acetylene (Frontier Orbitals)
| C2H2
| HOMO
to LUMO (degenerated)
| 4 |
| 3 | Acetaldehyde (Frontier Orbitals)
| C2H2O
| HOMO-1
to LUMO
| 3 |
| 4 | Acetic acid (Frontier Orbitals)
| C2H2O2
| HOMO-2
to LUMO
| 4 |
| 5 | Ethene (Frontier Orbitals)
| C2H4
| HOMO
to LUMO
| 2 |
| 6 | Ethene (Orbitals)
| C2H4
| HOMO -7
to LUMO
| 9 |
| 7 | Trimethincyanine (Frontier Orbitals)
| C3H7N2
| HOMO
to LUMO (Charge not shown)
| 2 |
| 8 | Methylacetamide
| C3H7NO
| HOMO-2
to LUMO
| 4 |
| 9 | Methylacetate
| C2H4O2
| HOMO-1
to LUMO
| 3 |
| 10 | Dimethyl sulfoxide (Frontier Orbitals)
| C2H6OS
| HOMO-2
to LUMO
| 4 |
| 11 | Acrolein (Frontier Orbitals)
| C3H4O
| HOMO-1
to LUMO
| 3 |
| 12 | Acetone (Frontier Orbitals)
| C3H6O
| HOMO-1
to LUMO
| 3 |
| 13 | Triafulvene (Frontier Orbitals)
| C4H4
| HOMO
to LUMO
| 2 |
| 14 | Pyrrole (Pi Orbitals)
| C4H5N
| HOMO-1
to LUMO
| 3 |
| 15 | Butadiene (Pi Orbitals)
| C4H6
| HOMO-1
to LUMO+1
| 4 |
| 16 | Diethylether
| C4H10O
| HOMO-1
to LUMO
| 3 |
| 17 | Cyclopentadiene (Frontier Orbitals)
| C5H6
| HOMO
to LUMO
| 2 |
| 18 | Pyridine (Sigma and Pi Orbitals)
| C6H5N
| HOMO-1
to LUMO
| 3 |
| 19 | Fulvene (Frontier Orbitals)
| C6H6
| HOMO-1
to LUMO
| 3 |
| 20 | Fulvene (Frontier Orbitals; only pi-orbitals are shown)
| C6H6
| HOMO-2
to LUMO+2
| 6 |
| 21 | Hexatriene (Frontier Orbitals)
| C6H8
| HOMO
to LUMO
| 2 |
| 22 | Benzene (Frontier Orbitals - degenerated)
| C6H6
| HOMO-1
to LUMO+1
| 6 |
| 23 | Benzenium ion (Frontier Orbitals)
| C6H7+
| HOMO-1
to LUMO
| 3 |
| 24 | Heptafulvene (Frontier Orbitals)
| C8H8
| HOMO
to LUMO
| 2 |
| 25 | Octatetraene (Frontier Orbitals)
| C8H10
| HOMO
to LUMO
| 2 |
| 26 | Naphthalene (Frontier Orbitals)
| C10H8
| HOMO
to LUMO
| 2 |
| 27 | Azulene (Frontier Orbitals)
| C10H8
| HOMO
to LUMO
| 2 |
| 28 | Decapentaene (Frontier Orbitals)
| C10H12
| HOMO
to LUMO
| 2 |
| 29 | Azobenzene trans
| C12H10N2
| HOMO-1
to LUMO
| 3 |
| 30 | Azobenzene cis
| C12H10N2
| HOMO-1
to LUMO
| 2 |
| 31 | Anthracene (Frontier Orbitals)
| C14H10
| HOMO
to LUMO
| 2 |
| 32 | Phenanthrene (Frontier Orbitals)
| C14H10
| HOMO
to LUMO
| 2 |
| 33 | Stilben trans
| C14H12
| HOMO
to LUMO
| 2 |
| 34 | Stilben cis
| C14H12
| HOMO
to LUMO
| 2 |
| 35 | Indigo (Frontier Orbitals)
| C16H10N2O2
| HOMO
to LUMO
| 2 |
| 36 | Sulfur trioxide (Sigma and Pi Orbitals)
| SO3
| HOMO
to LUMO
| 2 |
