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Table 1

Rotational constants of formamide.

S-reduction A-reduction
Parameters NH2CHO v = 0 Parameters NH2CHO v = 0 NH2CHO ν12 NHCHO v = 0

A (MHz) 72716.89840(19)a A (MHz) 72716.89800(19) 71738.72306(35) 71058.2044(11)
B (MHz) 11373.509642(28) B (MHz) 11373.582453(28) 11351.591159(46) 11372.56100(11)
C (MHz) 9833.952804(27) C (MHz) 9833.881236(26) 9839.250469(44) 9801.88771(11)
DJ (kHz) 7.761879(23) ΔJ (kHz) 7.985385(25) 8.045855(47) 7.92971(15)
DJK (kHz) –67.83261(43) ΔJK (kHz) –69.17265(44) –66.89468(83) –68.7265(27)
DK (kHz) 1400.6906(38) ΔK (kHz) 1401.8297(39) 1316.3907(55) 1391.412(54)
d1 (kHz) 1.5757698(38) δJ (kHz) 1.5757972(33) 1.5649226(80) 1.603172(72)
d2 (kHz) 0.1116821(18) δK (kHz) 36.12735(46) 33.7255(12) 35.398(11)
HJ (Hz) 0.0093375(57) ΦJ (Hz) 0.0109407(68) 0.010671(15) 0.010969(60)
HJK (Hz) –0.19637(18) ΦJK (Hz) 0.02458(46) [ 0.0] [ 0.0]
HKJ (Hz) –5.7948(20) ΦKJ (Hz) –6.5546(25) –6.0831(56) –6.429(11)
HK (Hz) 80.679(48) ΦK (Hz) 81.477(49) 67.948(44) 82.03(65)
h1 (Hz) 0.0045512(18) φJ (Hz) 0.0047135(19) 0.0045954(44) 0.004926(36)
h2 (Hz) 0.0008207(16) φJK (Hz) 0.06666(42) 0.06623(88) 0.0549(63)
h3 (Hz) 0.00017663(30) φK (Hz) 12.506(21) 10.428(20) 11.155(63)
LJK (mHz) –0.01208(49) LJK (mHz) –0.02370(49) –0.0238(14) [0.0]
LKKJ (mHz) 0.4272(29) LKKJ (mHz) 0.4614(29) 0.398(11) [0.0]
LK (mHz) –5.41(16) LK (mHz) –6.25(16) [0.0] [0.0]
l2 (mHz) –0.00001296(26) χaa (MHz) 1.9543(13) 1.7616(33) 1.9653(27)
χaa (MHz) 1.9544(12) χcc (MHz) –3.8511(11) –3.5823(16) –3.8631(29)
χcc (MHz) –3.8510(11)

Nb 1630(709) 1630(709) 1243(581) 409(190)
σ (MHz)c 0.029 0.028 0.029 0.029
σwd 0.72 0.72 0.70 0.70
JMax, Ka,Max 65, 24 65, 24 63, 22 45, 15

Notes. 

(a)

Numbers in parenthesis are one time the standard deviation.

(b)

Number of distinct frequency lines in fit. Number in parenthesis corresponds to new measurements.

(c)

Standard deviation of the fit.

(d)

Weighted deviation of fit.

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