Abstract
On the basis of CCSD(T) calculations, an accurate equilibrium geometry (uncertainties in bond lengths: ca. 0.0005Å) has been established for linear HC3P. The CP equilibrium bond length is 1.5515Å and thus slightly longer than in HCP. Harmonic vibrational wavenumbers, vibration–rotation coupling constants and l-type doubling constants are reported. Accurate ground-state rotational constants are predicted for 13C substituted species.
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