HCNH+
Iminomethylium, protonated HCN, X 1Σ+
Species tag 028504
Version3*
Date of EntryFeb. 2024
ContributorH. S. P. Müller

The present entry differs from the first two from May 2001 and Aug. 2006. The lower frequency data, up to 445 GHz, were taken from
(1) W. G. D. P. Silva, L. Bonah, P. C. Schmid, S. Schlemmer, and O. Asvany, 2024, J. Chem. Phys. , .
Additional higher J data originate from
(2) T. Amano, K. Hashimoto, and T. Hirao, 2006, J. Mol. Struct. 795, 190.
The calculation should be sufficiently accurate up to about 1.2 THz. A separate calculation with 14N hyperfine splitting is provided up to J" = 5.
The spin multiplicity of 14N was considered in the calculation of the partition function!
The dipole moment is from a quantum chemical calculation by
(3) P. Botschwina, 1986, Chem. Phys. Lett. 124, 382.

Lines Listed34
Frequency / GHz< 2600
Max. J34
log STR0-5.0
log STR1-5.0
Isotope Corr. 
Egy / cm-10.0
 µa / D0.29
 µb / D 
 µc / D 
 A / MHz 
 B / MHz37055.748
 C / MHz 
 Q(300.0)507.2961
 Q(225.0)380.6813
 Q(150.0)254.0944
 Q(75.00)127.5369
 Q(37.50)64.2722
 Q(18.75)32.6498
 Q(9.375)16.8544
 Q(5.000)9.5111
 Q(2.725)5.7473
detected in ISM/CSMyes


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