[molpro-user] Spectroscopic Constants

Nathan Wells nwells01 at qub.ac.uk
Mon Dec 13 13:01:26 GMT 2010


Is there a command for calculating the following spectroscopic constants:

Anharmonicity
Rotational Constants
Centrifugal Distortion

I am currently using Molpro.2009 and can't find reference to these in the manual. It may be that I am just not seeing them. Any help would be appreciated.

Regards
Nathan Wells


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