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Table 2

Values (mHz) of the sextic centrifugal distortion constant of isotopologues of N2H+.

Isotopologue Experimental Computeda

N2H+ 73.5(17)b 48.8
N2D+ 71.6(35)b 34.2
15N2H+ 50.4(63)c 40.1
15N2D+ 50.7(22)c 29.8



“All electron” theoretical calculation done at CCSD(T) level of theory using aug-cc-pCVQ basis set (see text).


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