Taking into account the non-existence of ab initio restricted Hartree–Fock (RHF) calculations for the methanol ion, an RHF study of the lowest states (2A″ and 2A′) of this ion and an optimization of the geometry of its ground state have been carried out for the first time. Several basis sets have been used, including bond functions that give a good representation of this ion.
J. M. G. de la Vega, D. Tafalla and J. I. Fernández-Alonso, J. Chem. Soc., Faraday Trans. 2, 1984, 80, 1269 DOI: 10.1039/F29848001269
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