The experimental frequencies have been reported by
(1) S. Thorwirth, H. S. P. Müller, and G. Winnewisser, 2001, Phys. Chem. Chem. Phys. 3, 1236.
Some parameters were kept fixed to values determined for the main isotopic species.
Mar. 2012: The individual states have been set up differently to describe the parity of the state l = 2^– correctly. Now state number 0 refers to l = 0⁺, state number 1 to l = 0^–, and state number 2 to l = 2. Version number and date of entry have been retained.
The Hamiltonian converges slowly. This is probably caused by the rotational interaction with v₇ = 3. Predictions may be at least fairly reasonable up to about 350 or even 400 GHz; they should be viewed with great caution above 600 GHz.
Vibrational contributions to the partition function of H¹³CCCN are also available.
The dipole moment was assumed to agree with that of the main isotopolog, see e051505.cat.