Evaluation of the BeOH and MgOH hyperfine coupling tensors

The hyperfine coupling tensors of the ground states of the BeOH and the MgOH radicals have been evaluated using the multiconfigurational self consistent field restricted-unrestricted, coupled cluster singles and doubles and CCSD with triples corrections approaches. The structures were optimized at the CCSD(T) level. The calculated hyperfine coupling tensors agree well with the experimental data and support a linear BeOH.