Ethanol IR models

Click on the link to download a Spartan EDF2/6-31G** model of ethanol monomer and ethanol dimer. The models have been combined in a single file (a ‘list’ model) and they already contain calculated IR spectra, so do not replace them with SSPD models.

Note: the IR frequencies in these models are unscaled and do not reproduce experimental values.

This entry was posted in Labs. Bookmark the permalink.