On the vibrational partition function of Ta-allylimine CCSD(T)/CBS+CV harmonic vibrational wavenumbers are taken from D. Alberton, L. Bizzocchi, N. Jiang, M. Melosso, V. M. Rivilla, A. Pietropolli Charmet, B. M. Giuliano, P. Caselli, C. Puzzarini, S. Alessandrini, L. Dore, I. Jimenez-Serra and J. Martin-Pintado 2023, Astron. Astrophys. 669, A93 https://doi.org/10.1051/0004-6361/202244618 ----------------------------------------------------------------------------- There are 21 vibrational fundamentals in allylimine. Mode Wavenumber/cm-1 v_1 3486.3 v_2 3250.8 v_3 3193.1 v_4 3154.6 v_5 3052.3 v_6 1702.4 v_7 1643.8 v_8 1455.8 v_9 1401.3 v_10 1304.4 v_11 1273.1 v_12 1111.3 v_13 925.8 v_14 558.9 v_15 314.1 v_16 1105.4 v_17 1018.5 v_18 953.5 v_19 856.1 v_20 579.7 v_21 168.5 ----------------------------------------------------------------------------- T (K) Q(vib) 1000.0 504.77 500.0 10.746 300.0 2.8263 225.0 1.8714 150.0 1.3245 75.0 1.0436 37.5 1.0000 18.75 1.0000 9.375 1.0000 5.000 1.0000 2.725 1.0000