Molecule Types Vibrational Structure Vibrational Energy Levels and Franck-Condon Factors <Prev Next>

Molecular Nucleus

One of these items may be present for each nucleus in the molecule under each electronic state. The number is controlled by the nNuclei setting at the molecule level. If the l matrix is not being used to calculate Franck-Condon factors these are not required.


Mass Mass of nucleus / amu
x Equilibrium x co-ordinate / Å
y Equilibrium y co-ordinate / Å
z Equilibrium z co-ordinate / Å


Right click on the item in the constants window for the following operations in addition to the standard ones:

Set Exact Mass Try to set exact mass from mass (if not zero) and name