Figure 2. Illustration of the generation of nuclear coordinates Ri in the laboratory-fixed axis system XYZ by: (a) placing the nuclei at their equilibrium positions ai in the molecule-fixed axis systems xyz; (b) subjecting them to small "vibrational" displacements di; (c) rotating the molecular axis system about the laboratory axis system using the direction cosine matrix S(χθφ); and (d) translating the molecular system a distance R from the laboratory system.