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HOMO- LUMO gaps for ()

Energies in eV.

Click on an entry for a listing of homo and lumo energies.
Gap energy in eV
Methods with predefined basis sets

Gap energy in eV
Methods with standard basis sets
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (3-21G, 3-21G*, 6-31G, ...) see the glossary in section I.C. Predefined means the basis set used is determined by the method.