Vibrational energy levels of formaldehyde
Authors:
- 1 May 1985
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 82 (9) , 4155-4165
Abstract
Vibrational energies for nonrotating H2CO and D2CO are calculated using unadjusted and adjusted ab initio quartic force fields in normal mass‐weighted coordinates. Converged energies are obtained using uncoupled anharmonic oscillator and vibrational self‐consistent field basis sets and are compared with experiment. Strong ‘‘Fermi‐like’’ resonances are found involving the CH symmetric and antisymmetric stretches.Keywords
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