Finite Perturbation Studies of Magnetic Susceptibility and Shielding with GIAO

Abstract
The magnetic susceptibility tensor and proton and fluorine magnetic shielding tensors are cal­ culated for F2 and (FHF)- using an ab initio finite perturbation method with gauge-invariant atomic orbitals (GIAO). The discussion of the basis set deficiency shows that the calculated values for the susceptibilities are reliable. Simple additivity (Pascal rule) for the susceptibility is con­ firmed.