Abstract

The ground state microwave, millimeter wave, and far-infrared spectroscopic data ( J < 10) of HNCO and its isotopomers were analyzed using the semirigid bender (SRB) Hamiltonian. The geometry of the molecule and the potential energy function of the large-amplitude HNC-bending motion were determined by a non-linear least-squares fitting procedure. The barrier to the linear configuration was found to be 1899 cm −1, which is much lower than the previously reported value. The parameters determined for the molecular structure are in excellent agreement with the r s values.

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