1,3-c-C6H8
1,3-Cyclohexadiene
Species tag 080508
Version1*
Date of EntryDec. 2021
ContributorH. S. P. Müller

Microwave data were taken from
(1) S. S. Butcher, 1965, J. Chem. Phys. 42, 1830;
and from
(2) G. Luss and M. D. Harmony, 1965, J. Chem. Phys. 43, 3768.
Initial estimates of the quartic distortion parameters were taken from an MP2 quantum-chemical calculation by
(3) H. S. P. Müller, 2021, unpublished.
The data set is quite limited, the calculations were therefore truncated at 120 GHz and at J = 20. The calculations should be sufficient for searches in cold environments. Transition frequencies with calculated uncertainties exceeding 0.2 MHz should be viewed with caution.
Spin-statistical weight ratios have been ignored because of the proximity to 1 : 1.
The dipole moment was determined in (1).

Lines Listed720
Frequency / GHz< 120
Max. J20
log STR0-10.0
log STR1-7.5
Isotope Corr. 
Egy / (cm–1)0.0
 µa / D0.437
 µb / D 
 µc / D 
 A / MHz5073.97
 B / MHz5062.39
 C / MHz2701.70
 Q(300.0)105297.0897
 Q(225.0)68374.9324
 Q(150.0)37210.8480
 Q(75.00)13155.8035
 Q(37.50)4653.2450
 Q(18.75)1646.9373
 Q(9.375)583.5992
 Q(5.000)228.2215
 Q(2.725)92.4889
detected in ISM/CSMno


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder