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Energies for
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Energies in hartrees. ( What's a hartree?)
Click on an entry for additional computational results
such as vibrational frequencies, optimized geometries, etc.
Energies in hartrees
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.