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Calculated singlet - quintet Gaps for BeC (Beryllium Carbide)

18 11 02 13 31
Vibrational zero-point energy (zpe) has not been included. Click on an entry for details including zpe.
singlet - quintet gaps in kJ mol-1.
Negative values indicate that the quintet state has a lower energy than the singlet state.
Methods with predefined basis sets

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.