for C4H6OS (2,5-dihydrothiophene-3-ol)
Click on an entry for details.
For a comparison of experimental versus calculated see section
IV.C.1 Compare vibrational frequencies
Methods with predefined basis sets
Methods with effective core potentials (select 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.