Potential Energies of OH Ground State and the First Excited State

MRCI method with aug-cc-Pvtz,aug-cc-pVQZ,cc-pV5Z,6-311 ++ g(d,p) and 6-311 ++ g(3df,3pd) basis sets is used to calculate potential curves of OH ground state and the first excited state.Murrell-Sorbie potential functions are fitted.Force constants and spectroscopic data are obtained.Our results are in agreement with experimental values.