Table 1. Distances (Å) and angles (degrees) for D3h [MH3M]+ and [NgMH3MNg]+ cations, optimized at the all-electron CCSD(T)/cc‑pVQZ level of theory. Table 1. Distances (Å) and angles (degrees) for D3h [MH3M]+ and [NgMH3MNg]+ cations, optimized at the all-electron CCSD(T)/cc‑pVQZ level of theory. Table 1. Distances (Å) and angles (degrees) for D3h [MH3M]+ and [NgMH3MNg]+ cations, optimized at the all-electron CCSD(T)/cc‑pVQZ level of theory. Table 1. Distances (Å) and angles (degrees) for D3h [MH3M]+ and [NgMH3MNg]+ cations, optimized at the all-electron CCSD(T)/cc‑pVQZ level of theory. Table 1. Distances (Å) and angles (degrees) for D3h [MH3M]+ and [NgMH3MNg]+ cations, optimized at the all-electron CCSD(T)/cc‑pVQZ level of theory. Table 1. Distances (Å) and angles (degrees) for D3h [MH3M]+ and [NgMH3MNg]+ cations, optimized at the all-electron CCSD(T)/cc‑pVQZ level of theory.
M Ng rMM rMH rNgM θMHM
Be 1.672 1.451 70.37
Be He 1.676 1.450 1.475 70.64
Be Ne 1.679 1.451 1.702 70.71
Mg 2.330 1.839 78.63
Mg He 2.336 1.839 1.969 78.85