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Table A.4

Spectroscopic constants in the effective rotational Hamiltonian for the ν9 and 11 excited vibrational states of vinyl cyanide.

ν9 11

A/MHz 49 828.53(89)a 47 495.5(22)
B/MHz 4953.0854(34) 5047.5125(98)
C/MHz 4501.1911(18) 4545.1778(85)
ΔJ/kHz 2.2025(18) 2.3223(66)
ΔJK/kHz –92.279(81) -56.27(34)
ΔK/kHz 2500.(135) –87.(529)
δJ/kHz 0.4392(11) 0.4766(46)
δK/kHz 11.17(53) 28.9(48)
ΦJ/Hz 0.00469(72) 0.0368(68)
ΦJK/Hz –2.22(36) 5.3(31)
ΦKJ/Hz –28.6(17) –32.(13)
ΦK/Hz [0.] 104900.(42879)
φJ/Hz 0.00145(38) –0.0185(36)
φJK/Hz –0.93(18) 7.6(18)
φK/Hz –159.(48) 1131.(532)
N lines b 373,7 225,17
σfit/MHz 0.167 0.250
σ rms 1.665 2.496

Notes.

(a)

Round parentheses enclose standard errors in units of the last quoted digit of the value of the constant; square parentheses enclose assumed values.

(b)

The number of distinct frequency fitted lines and the number of confidently assigned lines rejected at the 10σ fitting criterion of the SPFIT program.

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