Force field analysis for linear molecules

For linear molecules the 3N representation depends only on the number of atoms. The option force field analysis constructs the 3N representation and determines vib. Thereupon the symmetry properties of higher powers of vib up to the quartic force field are calculated.
Last update Mai, 23rd 2018 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement