Simultaneous rovibrational analysis of the ν2, ν3, ν5, and ν6 bands of H3 13CF

A total of 6071 transition wavenumbers of the upsilon(2), upsilon(3), upsilon(5), and upsilon(6) fundamental bands of H-3 (CF)-C-13 and 1689 frequencies of the rotational transitions in the upsilon(2) = 1, upsilon(3) = 1, upsilon(5) = 1, and upsilon(6) = 1 vibrational states have been fitted simultaneously by taking into account various Coriolis interactions, I-type interactions, and or-resonance terms behveen and within the vibrational states. The standard deviation of the fit using 75 parameters was sigma = 7.63 x 10(-5) cm(-1) for the infrared data and 0.150 MHz for the rotational data. The possibility of obtaining a quantitative fit of the very precise data of high-resolution Fourier transform and submillimeter-wave spectroscopy for a semirigid symmetric top molecule is discussed. (C) 1998 Academic Press.