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Table 1

Spectroscopic constants of propiolamide in the ground state and three excited vibrational states (A-reduction, Ir -representation).

Ground state vin = 1 vout = 1 vinv = 1
A / MHz 11 417.92091 (11)(a) 11 306.86167 (25) 11 537.98892 (27) 11 397.27733 (18)
B / MHz 4135.477101 (40) 4153.949250 (78) 4146.28849 (10) 4131.104876 (83)
C / MHz 3032.592907(35) 3036.029785 (61) 3041.801213 (72) 3032.360188 (56)
ΔJ / kHz 0.579701 (18) 0.612639 (36) 0.594171 (59) 0.578258 (51)
ΔJK / kHz 20.86142 (18) 19.27979 (36) 21.82228 (41) 20.73217 (36)
ΔK / kHz −10.05819 (20) −16.51167 (89) −2.7538 (10) −9.93128 (41)
δJ / kHz 0.1753084 (80) 0.190158 (18) 0.177915 (29) 0.174458 (25)
δK / kHz 12.16107 (24) 11.28587 (43) 13.08620 (65) 12.08963 (55)
ΦJ / Hz 0.0003369 (31) 0.0005094 (77) 0.000273 (17) 0.000370 (15)
ΦJK / Hz 0.19762 (12) 0.16406 (25) 0.22129 (38) 0.19630 (28)
ΦKJ / Hz −0.47001 (41) −0.55885 (90) −0.3560 (13) −0.46592 (78)
ΦK / Hz 0.30222 (35) −0.5968 (10) 1.1713 (13) 0.30279 (69)
ϕJ / Hz 0.0001448 (15) 0.0002278 (41) 0.0001229 (89) 0.0001680 (78)
ϕJK / Hz 0.095653 (64) 0.08057 (11) 0.10591 (22) 0.09532 (19)
ϕK / Hz 0.6385(11) 0.3538 (18) 0.9125 (29) 0.6349 (22)
LJJK / mHz −0.0011188 (88) −0.001301 (27) −0.000844 (35) −0.001004 (28)
LKKJ / mHz ... 0.05208 (54) −0.05083 (72) ...
χaa / MHz 1.8157 (22) 1.8157(b) 1.8157(b) 1.8157(b)
χbbχcc / MHz 6.0012 (44) 6.336 (40) 6.212 (48) 5.796 (44)
JminJmax 0 / 75 3 / 71 3 / 71 3 / 71
Ka,minKa,max 0 / 32 0 / 25 0 / 25 0 / 25
σfit (c) MHz 0.023 0.032 0.032 0.026
N (d) 1924 1482 1219 978

Notes. (a) The numbers in parentheses are 1σ uncertainties (67% confidence level) in units of the last decimal digit. The SPFIT/SPCAT program package (Pickett 1991) was used for the analysis. (b)Fixed to the ground state value owing to the limited hyperfine data set in excited vibrational states. (c) Root mean square deviation of the fit. (d)Number of distinct frequency lines in the fit.

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