Cheeseman96a

J. R. Cheeseman, M. J. Frisch, F. J. Devlin, and P. J. Stephens, “Ab Initio Calculation of Atomic Axial Tensors and Vibrational Rotational Strengths Using Density Functional Theory,” Chem. Phys. Lett., 252 (1996) 211-20. DOI: 10.1016/0009-2614(96)00154-6