Extending Kraitchman's equations

Kraitchman's method for the determination of the substitution (or r_s) coordinates of an atom in a rotating molecule (asymmetric rotor) from the two sets of three principal moments of inertia of the common isotope of the molecule and the species where the particular atom has been isotopically substituted, has been extended to include the complete coordinate transformation between the principal axis systems of both molecular species. No additional information is required. Several applications are discussed, including a method which helps solve the problem of “small coordinates” by following an appropriate “substitution sequence.”