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Table 2

CH2DCN rotational and centrifugal distortion parameters.

This work Müller et al. (2009)

A/MHz 121 074.919 (10) 121 074.677 (20)
B/MHz 8759.19798 (12) 8759.197 94 (23)
C/MHz 8608.54244 (11) 8608.542 55 (24)
DJ/kHz 3.469947 (55) 3.469 982 (137)
DJK/kHz 143.3383 (60) 143.336 1 (138)
DK/kHz 2224.2 (21) 1970.0
d1/kHz –0.079204 (23) –0.079164 (46)
d2/kHz –0.004876 (16) –0.004776 (35)
HJ/Hz 0.0004003 (82) 0.0004004 (191)
HJK/Hz 0.8437 (18) 0.8375 (49)
HKJ/Hz 1.150 (91) 1.688 (192)
HK/Hz 100. 100.
h1/mHz 0.1544 (53) 0.1490 (84)
LJJK/mHz –0.00565 (20) –0.00537 (55)
LJK/mHz 0.017 (13) 0.058 (28)
LKKJ/mHz –2.84 (52) –10.82 (68)
PKJ/μHz 0.324 (39)
PKKJ/μHz –28.3 (10)
Freqmaxa/MHz 1 196 285.09 1 196 285.09
nbr of transitionsb 733 274
, c 68, 16 68, 14
rmsd/kHz 57.7
wrmse 0.808 0.740

Notes.

(a)

Maximum line frequencies assigned;

(b)

number of transitions included in the fit;

(c)

maximum values of J and Ka (of lower state);

(d)

standard deviation of fit;

(e)

weighted standard deviation of fit.

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