How to calculate energy levels of methane. (given v and J)

[MelonGu]

I have previously learned about the energy level calculation of some diatomic molecules, such as N2 and CO.

Now I need to calculate the spherical top symmetric molecules like CH4. But I cannot find the force constants for it either, can anyone give me some suggestions about this?

 

[eljose79]

Hello,

Thank you for your question. Calculating the energy levels of spherical top symmetric molecules like CH4 can be a bit more complex compared to diatomic molecules like N2 and CO. This is because the potential energy surface of spherical top molecules is more complex and requires more parameters to accurately describe it.

One approach you can take is to use computational software such as Gaussian or Avogadro to calculate the potential energy surface and force constants for CH4. These software programs use quantum mechanical calculations to determine the energy levels and force constants of molecules.

Another approach is to look for experimental data on the force constants of CH4. This can be found in databases such as the NIST Chemistry WebBook or the CRC Handbook of Chemistry and Physics. These databases provide a wealth of information on various molecules, including force constants for spherical top molecules like CH4.

I hope this helps. Good luck with your calculations!