Abstract

By combining experimental ground-state rotational constants and ab initio vibration-rotation coupling constants, an accurate equilibrium geometry has been determined for HNCCN+ : re(NH) = 1.0126(5) Å, R1e(NC) = 1.1404(5) Å, R2e(CC) = 1.3731(5) Å. and R3e(CN) = 1.1625(5) Å. Estimated error bars in units of the last digit are given in parentheses. Predictions are made for the rotational, centrifugal distortion, and ℓ-type doubling constants of various isotopomers.

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