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Microwave data were taken from
(1) M. C. McCarthy, K. L. K. Lee, P. B. Carroll, J. P.
Porterfield, P. B. Changala, J. H. Thorpe, and J. F. Stanton,
2020, J. Phys. Chem. A 124, 5170.
Lower millimeter-wave data were taken from
astronomical observations by
(2) J. Cernicharo, C. Cabezas, M. Agúndez, B. Tercero,
N. Marcelino, J. R. Pardo, F. Tercero, J. D. Gallego,
J. A. López-Pérez, and P. deVicente,
2021, Astron. Astrophys. 647, Art. No. L3.
Intial distortion parameters, including higher order ones,
were evaluated from cyanoallene by
(3) G. Schwahn, R. Schieder, M. Bester, and G. Winnewisser,
1986, J. Mol. Spectrosc. 116, 263;
through scaling by
(4) H. S. P. Müller, 2021, unpublished.
The uncertainties in (1) appear to be about 2σ
values and were thus adjusted to 1 kHz.
The calculations are certainly accurate enough for
cold environments, possibly even for slightly
elevated temperatures. Transition frequencies with
low Ka should be viewed with caution
for J > 20. Transition frequencies with
low J should be viewed with caution for
Ka > 6. The calculations were
truncated at 200 GHz, at J" = 40, and
at Ka = 10.
The dipole moment is from a quantum-chemical
calculation in (2). The calculation of b-type
transitions are unreliable. Moreover, the
b-dipole moment component is nearly zero.
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