Magnetic properties of LiH, HF, and PH3 in its C3v and D3h structure

Results of CHF computations for NMR shielding constants σ and magnetic susceptibilities x are reported for LiH, HF, and PH3 (C3v and D3h) as obtained from very extended GTO basis sets. The discussion of results concentrates on problems such as basis saturation and gauge invariance, especially with respect to molecules containing second row atoms such as P.