Millimetre-wave spectroscopy of 2-hydroxyprop-2-enal and an astronomical search with ALMA

Open Access

Table 3

Differences between rotational constants of v₂₁ = 1 and the ground state of 2-hydroxyprop-2-enal.

	Calculated^(a)	Experimental
a_v−A₀ (MHz)	−84.54	−82.48
b_v−b₀ (MHz)	−1.47	−2.27
C_v-C₀ (MHz)	4.65	4.59

Notes. ^(a)Calculated at B3LYP/6-311++G(d,p) level of theory.

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