Please note: With respect to
the initial entry of Nov. 2004, values of Q and gup
were adjusted to be compatible with the 2nd ground state entry.
The version number has been retained.
Frequencies without hyperfine splitting have been reported
in
(1) M. Hutchinson, H. W. Kroto, and D. R. M. Walton,
1980, J. Mol. Spectrosc. 82, 394
and, more extensively, in
(2) K. M. T. Yamada, C. Degli Esposti, P. Botschwina,
P. Förster, L. Bizzocchi, S. Thorwirth, and G. Winnewisser,
2004, Astron. Astrophys. 425, 767.
Transitions involving 14N hyperfine splitting
were reported in
(3) M. E. Sanz, M. C. McCarthy, and P. Thaddeus,
2005, J. Chem. Phys. 122, Art. No. 194319.
14N hyperfine splitting may be resolved at
low values of J. However, these transitions
are expected to be too weak to be observable in the ISM/CSM.
The calculation should be reliable throughout.
The partition function DOES take into account now the
hyperfine splitting, but no vibrational contributions !
Vibrational correction factors for a posteriori
corrections have been derived for the main isotopolog
in the harmonic approximation.
The vibrational energy is from a quantum-chemical
calculation in (2).
The dipole moment was assumed to be the same as that of the
ground vibrational state, see e075503.cat.
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