How to use it:
It is a simple dialog program. You have a privilege to choose the reduced mass (in AMU) for the vibration, number of quanta in the given vibration, the vibrational frequency in wavenumbers, all correspondingly for the ground and excited electronic state. The "shift" edit box relates to the equilibrium geometry differences in the excited and ground state, or cusp displacement. In Angstroms.
The "Integration Steps" is relevant to the integration procedure and should be left at default (increasing it gives more accuracy, but slows down the calculations.
Keep in mind that the output of the program is vibrational functions overlap. To get FC factors you have to square the result.
Download
FCfactors.exe now
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