ADJUSTED DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE FOR HO2 BASED ON RIGOROUS VIBRATIONAL CALCULATIONS

We have adjusted the DMBE IV potential energy surface to reproduce the fundamental frequencies of the (HO2)-O-16 radical using rigorous quan tum mechanical vibrational calculations, and a linear scaling of the c oordinates prior to calling the potential routine. The fundamental vib rational frequencies of the isotopomers of this radical and rotational energies for J = 1 (even parity component) have also been calculated and compared with available experimental data. Higher energy states ar e also presented including the OH stretching overtone, which has also been reported experimentally.