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Table 1.

Comparison of selected fit SH parameters with previous results.

ntr(a) Operator (b) Par. (c) Current work (d)(e) Xu et al. (2012)(d)(e)
22, 0 F 15.04062399(54) 15.04020465(66)
22, 0 (1/2)(1 − cos3α) V3 441.69136(24) 441.442236(10)
21, 1 pαPa ρ 0.6518557764(11) 0.651856026(13)
20, 2 A 3.4279249(17) 3.42808445(84)
20, 2 B 0.4320294(32) 0.43201954(87)
20, 2 C 0.4132203(21) 0.41325076(83)
20, 2 {Pa, Pb} Dab −0.00737202(42) −0.0073126(59)
44, 0 (1/2)(1 − cos6α) V6 −1.9212(12) −0.572786(15)
44, 0 Fm −0.1121789(22) × 10−2 −0.114016(10) × 10−2
43, 1 ρm −0.3554280(60) × 10−2 −0.360009(28) × 10−2
42, 2 P2(1 − cos3α) V3J −0.2062768(53) × 10−2 −0.217540(84) × 10−2
42, 2 V3K 0.7277626(39) × 10−2 0.724978(19) × 10−2
42, 2 V3bc −0.81043(38) × 10−4 −0.92104(47) × 10−4
42, 2 {Pa, Pb}(1 − cos3α) V3ab 0.614197(19) × 10−2 0.61562(30) × 10−2
42, 2 FJ −0.3094800(28) × 10−4 −0.8106(38) × 10−4
42, 2 FK −0.4789751(62) × 10−2 −0.483287(30) × 10−2
42, 2 {Pa, Pb} Fab 0.10745(45) × 10−4 0.843(45) × 10−4
42, 2 Fbc −0.32942(41) × 10−4 0.0536(41) × 10−4
42, 2 {Pa, Pc}sin3α D3ac 0.077299(15) × 10−1 0.1036(15) × 10−1
42, 2 {Pb, Pc}sin3α D3bc −0.6418(14) × 10−3 0.665(14) × 10−3
41, 3 pαPaP2 ρJ −0.4255507(38) × 10−4 −0.4726(54) × 10−4
41, 3 ρK −0.2958211(29) × 10−2 −0.30381(74) × 10−2
41, 3 ρab 0.10025(43) × 10−4 0.999(67) × 10−4
41, 3 ρbc −0.42674(40) × 10−4 −0.0462(39) × 10−4
40, 4 P4 ΔJ 0.5393457(89) × 10−6 0.538140(23) × 10−6
40, 4 ΔJK 0.1784933(23) × 10−4 −0.066(26) × 10−5
40, 4 ΔK 0.6990318(56) × 10−3 0.7425(48) × 10−3
40, 4 δJ 0.2281975(75) × 10−7 0.224788(88) × 10−7
40, 4 δK 0.109149(20) × 10−4 0.10483(32) × 10−4
40, 4 P2{Pa, Pb} DabJ −0.956(60) × 10−7
40, 4 DabK 0.202(23) × 10−4
θRAM −0.14° −0.14°

Notes.

(a)

n = t + r, where n is the total order of the operator, t is the order of the torsional part and r is the order of the rotational part, respectively. The ordering scheme of Nakagawa et al. (1987) is used.

(b)

{A,B} = AB + BA. The product of the operator in the second column of a given row and the parameter in the third column of that row gives the term actually used in the torsion–rotation Hamiltonian of the program, except for F, ρ and ARAM, which occur in the Hamiltonian in the form .

(c)

The parameter nomenclature is based on the subscript procedure of Xu et al. (2008).

(d)

Values of the parameters in cm−1, except for ρ, which is unitless, and for θRAM, which is in degrees.

(e)

Statistical uncertainties are given in parentheses as one standard uncertainty in units of the last digits.

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