Vibrational states of urea up to 650 cm-1 / 935 K and vibrational correction factors to the partition function (at the bottom). The data can be used for isotopologs with 13C or 15N substition with small errors with D with small to modest errors. The first 8 vibrational states were taken from D. J. Tyree, T. W. Chapman, I. R. Medvedev, Z. Kisiel, 2022, J. Mol. Spectrosc., 390, Art. No. 111706 https://doi.org/10.1016/j.jms.2022.111706 https://ui.adsabs.harvard.edu/abs/2022JMoSp.39011706T/abstract The states are complete up to state 8 ! The identity of the states is unclear; it it very unlikely that all of them are fundamentals. Please do note that the wavenumbers are uncertain to around 10 cm-1; this has a fairly large impact especially for the contribution of the lowest state. Two presumable fundamentals near 600 cm-1 have been added. Please do note that it is not clear if there are additional states in the vicinity of these states. Since this becomes less and less clear for higher vibrational states, we refrain from listing further one even though several are known. The last 2 vibrational states were taken from J. Cz. Dobrowolski, R. Kołos, J. Sadlej, A.P. Mazurek, 2002, Vib. Spectrosc., 29, 261–282 https://doi.org/10.1016/S0924-2031(01)00187-4 The correction factors are (largely) converged to the quoted digits up to 100 K. Additional contributions are each less than 0.5 % up to 175 K. Thus, caution is advised for higher temperatures. ----------------------------------------------------------------------------- mode / E(cm-1) 1 / 61 2 / 254 3 / 267 4 / 398 5 / 420 6 / 453 7 / 505 8 / 571 9 / 616 10 / 636 ----------------------------------------------------------------------------- T (K) F(vib) 300.0 2.9022 225.0 2.3594 175.0 1.9711 150.0 1.7915 125.0 1.6251 100.0 1.4928 75.0 1.3250 37.5 1.0964 18.75 1.0093 -----------------------------------------------------------------------------