The molecule is non-linear albeit close to a linear one.
The measurements were taken from
(1) Y. Sumiyoshi, H. Takada, and Y. Endo,
2004, Chem. Phys. Lett. 387, 116.
After omission of one line, the remaining data fit to well
within the assumed 5 kHz.
Only Ka = 0 transitions have been observed
in the laboratory so far. Therefore, the rotational constants
are known only approximately. Transitions involving
Ka = 1 cannot be calculated reliably
predominantly because the size of εaa
is not known. Moreover, since the barrier to linearity
may be small it is conceivable that knowledge of the
Ka = 1 energies will not help much in
locating higher energy levels. Therefore, only transitions
involving Ka = 0 are provided.
Nevertheless, the calculation may well be sufficient
for all observational purposes.
Transition frequencies with calculated uncertainties
exceeding 0.2 MHz should be viewed with substabtial caution.
Some deviation may also occur in the hyperfine structure
splitting at higher rotational quantum numbers.
The partition function takes into account higher
Ka values as far as possible at present.
The total dipole moment is from a quantum chemical
calculation mentioned in that work.
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