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equilibrium geometry

Molecular geometry that corresponds to the true minimum on the respective potential energy surface. While information relating to the equilibrium geometry is provided by calculations within the adiabatic approximation (minimization of the total energy with respect to any independent geometrical parameter), various experiments yield some effective geometries for the molecule which are averaged over molecular vibrations.
Source:
PAC, 1999, 71, 1919 (Glossary of terms used in theoretical organic chemistry) on page 1938
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Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook.
Last update: 2014-02-24; version: 2.3.3.
DOI of this term: doi:10.1351/goldbook.ET07031.
Original PDF version: http://www.iupac.org/goldbook/ET07031.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.
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