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Table 3

Spectroscopic parameters determined for DOCO+.

Parameter Unit Experimental ab initioa

ground state
A MHz 432 956.330(19) 431 647.2
B MHz 10 163.99173(44) 10 177.1
C MHz 9908.68562(35) 9 922.2
D J kHz 3.10721(20) 3.041
D JK MHz 0.326394(73) 0.332
D K MHz 279.05b 279.05
d 1 kHz –0.12542(32) –0.1095
d 2 kHz –0.03299(19) –0.02218
H J Hz 0.0b 0.0
H JK Hz 0.313(72) 0.506
H KJ Hz –85.5(31) –249.89
H K MHz 0.7683b 0.7683
no. of lines 85
σ w 0.82

Notes. Values in parentheses represent 1σ uncertainties expressed in units of the last quoted digit.

(a)

Theoretical values computed by Fortenberry et al. (2012).

(b)

Held fixed.

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