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The entry refers to the lowest energy conformer. Its MW
transition frequencies (15–40 GHz) were taken
from
(1) K.-M. Marstokk, H. Møllendal, and Y. Stenstrøm,
1992, Acta. Chem. Scand. 46, 432.
The frequency calculation was truncated at J = 72
and 320 GHz.
The line list is quite extensive, but higher J
transitions with large asymmetry splitting are lacking
as are R-branch transitions with higher J.
Therefore, calculated transition frequencies above 80 GHz
should be viewed with some caution, and those with
calculated uncertainties exceeding 0.1 MHz should be viewed
with great caution. The entry should be sufficiently
accurate for cold sources and may still be acceptable
for luke-warm sources (~50 K).
The experimental dipole moment components were taken
from
(2) W. V. F. Brooks and K. V. L. N. Sastry,
1975, Can. J. Chem. 53, 2247.
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