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HCCN is an asymmetric top molecule with a low barrier to
linearity, i.e., it is quasilinear, similar to the parent
species methylene, CH2, which is somewhat
closer to an asymmetric top rotor.
The experimental lines were reported by
(1) F. X. Brown, S. Saito, and S. Yamamoto,
1990, J. Mol. Spectrosc. 143, 203.
Uncertainties of 30 kHz were used in the fit.
The predictions should be viewed with some caution
because of the small data set. Nevertheless, the
strong fine structure components may be well
predicted down to about 100 GHz and up to about
800 GHz.
Hyperfine splitting due to the 1H,
13C, and 14N nuclei may broaden
the lines below about 150 GHz and may be resolvable
at the lowest frequencies.
The dipole moment was assumed to agree with that of
the main species, see e039501.cat.
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