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A butterfly motion of formic acid and cyclobutanone in the 1:1 hydrogen bonded molecular cluster

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Table 1 B3LYP-D3/6-311++G(d,p) shape, energy, spectroscopic constants and dipole moment components of the most stable form of FA  CBU
Table 3 Substitution (r s ), equilibrium (r e , B3LYP-D3/6-311++G(d,p)) and effective (r 0 ) atomic coordinates of the two substituted hydrogen atoms in the principal axes system of the parent species of FA  CBU
Table 4 Results of the flexible model calculations

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