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Table 2.

Molecular parameters for the ground vibrational states of n-PrCN obtained from our latest fit using Watson’s S reduction compared to the fit of Belloche et al. (2009).

Parameters(MHz) g-n-PrCN
a-n-PrCN
(Belloche et al. 2009) This work (Belloche et al. 2009) This work
A 10060.41649(108) 10060.41587(11) 23668.31931(143) 23668.31883(44)
B 3267.662408(301) 3267.662256(28) 2268.146892(147) 2268.146732(27)
C 2705.459572(290) 2705.459402(24) 2152.963946(168) 2152.963902(27)
DK × 103 60.235(6) 60.2384(5) 240.653(29) 240.571(14)
DJK × 103 −18.26470(117) −18.26546(9) −10.82631(92) −10.82269(21)
DJ × 106 3195.064(207) 3194.979(15) 398.674(69) 398.722(8)
d1 × 106 −1037.470(55) −1037.503(5) −46.637(42) −46.5923(23)
d2 × 106 −77.1864(183) −77.1647(16) −0.5901(59) −0.5889(17)
HK × 106 1.806(18) 1.8411(9) 2.5a 2.5a
HKJ × 109 −517.3(35) −518.81(18) 372.4(24) 422.1(8)
HJK × 109 9.92(68) 9.804(27) −20.67(20) −21.600(25)
HJ × 109 4.486(56) 4.4445(33) 0.353(11) 0.3743(9)
h1 × 109 2.505(29) 2.5205(16) 0.117(14) 0.09830(15)
h2 × 1012 524.6(135) 518.38(26) 1.83(12)
h3 × 1012 111.3(31) 109.02(10)
LKKJ × 1012 30.6(31) 32.47(20) −72.7(8)
LJK × 1012 −4.11(78) −4.209(18)
LJJK × 1015 118.40(308) 35.55(131)
LJ × 1015 −2.273(246) −0.513(34)
l1 × 1015 −2.013(134)
PKKKJ × 1015 −0.807(60)
χaa −1.683b −3.440b
χbb −0.252b 1.385b
χcc 1.935b 2.055b

WRMS 0.66 0.98 0.75 0.97
Highest frequency 282073 499969 283196 499936
Max J 47 91 63 115
Max Ka 34 45 23 29
Transitions 215 3505 207 2199

Notes. The fits of Belloche et al. (2009) are based on work from Demaison & Dreizler (1982), Wlodarczak et al. (1988), Vormann & Dreizler (1988). WRMS is short for weighted root mean square used to evaluate the final fit. , where δ(i) is the residual of each transition assigned; err(i) is the uncertainty evaluated; N is the number of transitions. Numbers in parantheses represent the uncertainty compared to the last quoted digit.

(a)

The value of HK was estimated by Belloche et al. (2009).

(b)

The new added hyperfine split lines can all be fit correctly with the hyperfine structure parameters from Vormann & Dreizler (1988), so they were fixed in this work.

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