Table 2: Ground state rotational and centrifugal distortion constants of trans-propenal (CH2CHCOH).

ConstantsGlobal fit using microwave and millimeter wave dataDFT calculation

𝐴 (MHz.)47353.729  ±  0.00947532.149
𝐵 (MHz.)4659.4894  ±  0.00044635.391
𝐶 (MHz.)4242.7034  ±  0.00044223.524
𝐷 𝐽 (kHz)1.031  ±  0.0010.983
𝐷 𝐽 𝐾 (kHz)−8.684  ±  0.006−9.099
𝐷 𝐾 (kHz)361.949  ±  0.963346.316
𝑑 1 (kHz)−0.1197  ±  0.0002−0.119
𝑑 2 (kHz)−0.0069  ±  0.0001−0.006
𝐻 𝐽 𝐾 (Hz)0.014  ±  0.012
𝐻 𝐾 𝐽 (Hz)−0.490  ±  0.021
𝜎 𝑏 0.041
𝜅 𝑐 −0.9806
Δ 𝑑 −0.018
𝑁 e 224

bStandard deviation of the overall fit.
cAsymmetry parameter.
dInertia defect Δ = 𝐼 𝑐 𝐼 𝑏 𝐼 𝑎 .
eNumber of transitions used in the fit.