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Table A.1.

Vibrational changes in rotational constants for the first excited vibrational states in methoxyacetaldehyde.

υ27 = 1
υ26 = 1
Exp. Calculateda Exp. Calculateda
AυA0/MHz −668.99 (19) −692.77 −411.25 (28) −485.22
BυB0/MHz 4.53885 (43) 5.39 −0.83475 (52) −0.04
CυC0/MHz 9.52617 (34) 13.43 3.75668 (37) 4.80



Calculated at the MP2/6-311++G(d,p) level.

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