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Table A.2

Spectroscopic constants determined for the ground state of CH3NCO (νb = 0, m = 0).

Constant Koput (1986) Hyperfine resolved Hyperfine unresolved All data
J ≤ 2,Ka ≤ 1 J ≤ 42,Ka ≤ 2

Aa (MHz) 73 849.2 128 356.(7623)b 128 435.(19) 128 402. (13)
B (MHz) 4392.22 4414.2478(12) 4414.6182(93) 4414.6287 (75)
C (MHz) 4256.66 4257.1309(12) 4256.7490(85) 4256.7452 (71)
ΔJ (kHz) 2.45(40) 2.3209 (11) 2.32319 (98)
ΔJK (kHz) 1202.3(23) 1274.0 (13) 1271.46 (73)
δJ (kHz) 0.4042 (14) 0.4038 (14)
δK (kHz) 183.1 (43) 187.4 (35)
ΦJ (Hz) 0.00191(47) 0.00142 (45)
ΦJK (Hz) 5.39(24) 5.64 (18)
ΦKJ (Hz) 68478.(285) 67991. (167)
φJK (Hz) 47.6(14) 47.7 (14)
χaa (MHz) 2.8358(75) 2.8461(18) 2.8441 (49)
χbb (MHz) 1.288(21) 1.2981(30) 1.2962 (67)
χcc (MHz) 1.548(21) 1.5481(30) 1.5478 (67)
Nlinesc 13 32 201 233
σfitd (kHz) 6 3 94.6 91.2
σrmse 0.842 0.674 1.89 1.87

Notes.

(a)

A, B, and C are rotational constants; ΔJ,...,φJK are centrifugal distortion constants in Watson’s A-reduced asymmetric rotor Hamiltonian; and χaa, χbb, χcc are nuclear quadrupole hyperfine splitting constants for the 14N nucleus.

(b)

Errors in parentheses are standard errors in units of the last digit.

(c)

The number of fitted lines.

(d)

Standard deviation of the fit.

(e)

Unitless (weighted) deviation of the fit.

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