[molpro-user] normal mode coordinates

Terry Frankcombe tjf at rsc.anu.edu.au
Thu Nov 25 23:41:58 GMT 2010

> certainly this is just a different normalization of the normal mode
> vectors.


Depending on what you are doing with these normal modes, it may be
important to note that different normalisation implies a different set
of force constants and reduced masses.


Dr. Terry Frankcombe
Research School of Chemistry, Australian National University
Ph: (+61) 0417 163 509    Skype: terry.frankcombe

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