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Table B.2

Spectroscopic constants of diatomic molecules in cm-1 and differences of ZPE with respect to the main isotopologue.

Molecule Ref. ω e ω e x e ZPE Δ(ZPE) (K)

N2 (1) 2358.53 14.30 1175.7
N15N (1) 2319.01 13.83 1156.05 28.3
15N2 (1) 2278.80 13.35 1136.06 57.0
NH (2) 3282.2 78.3 1621.5
15NH computed 3274.9 77.95 1617.9 5.2
ND (3) 2399.0 42.0 1189.5 621.6
15ND computed 2389.0 41.6 1183.6 630
NH+ (4) 3047.58 72.19 1505.7
15NH+ (4) 3040.77 71.87 1502.4 4.8
ND+ (4) 2226.93 38.55 1103.8 578
15ND+ computed 2217.60 38.23 1099.2 585
CN (5) 2068.68 13.12 1031.1
13CN (6) 2025.25 12.57 1009.5 31.1
C15N (7) 2036.70 12.70 1015.2 22.9
14NO (8) 1904.11 14.08 948.5
15NO (9) 1870.1 13.585 931.7 24.3
C2 (10) 1853.5 12.755 923.98
13CC (10) 1817.3 12.1 905.61 26.4
CO (11) 2169.8 13.3 1081.6
13CO (11) 2121.4 12.7 1057.5 34.7
CH (12) 2860.75 64.44 1414.3
13CH (13) 2852.15 64.04 1410.1 6.0
CD (14) 2101.05 34.7 1042.1 535.5

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