The harmonic and anharmonic force fields and vibration–rotation constants of ClNO, FNO, FSN, and ClSN from SCF and CI a b i n i t i o computations

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Abstract
The harmonic and cubic force field of the triatomic molecules ClNO, FNO, ClSN, and FSN are evaluated by using SCF and various CI methods. The vibration–rotation constants derived from the force field are compared to the experimental values. The computed cubic force field is found to be accurate at the SCF level for ClNO and FNO, despite severe limitations of the HF description for the latter molecule. CI effects are important for some of the harmonic components of the force field of FNO and for its α vibration–rotation constants. The values of the vibration–rotation interaction constants have been predicted for ClSN and FSN.