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Table B.3

MP2/aug-cc-pVTZ spectroscopic parameters of the ac conformation of MAAN.

Parameter Value

A (MHz) 20 292.67
B (MHz) 2836.63
C (MHz) 2696.66
ΔJ (kHz) 2.779
ΔJK (kHz) –117.6
ΔK (kHz) 1634.5
δJ (kHz) 0.471
δK (kHz) –2.114

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