The sources of the transition frequencies selected are as follows: laboratory measurements and predictions from the literature data, previously published tabulations of spectral frequencies [4-27], spectral predictions of transition frequencies from reanalysis of the literature data carried out in the present work, and web-based catalogs [26,27]. The primary criterion for selection of the transition frequencies is the magnitude quoted for the estimated uncertainty in the measured frequency or the standard deviation of calculated frequencies. For well-behaved species, i.e., those whose spectra are well fit by established Hamiltonians, the calculated frequencies are often more accurate than individual measurements, thus many of the entries in Table 4 are calculated values and are identified with an asterisk (*) following the frequency entry. In entries where it was determined that the measured value had the lowest uncertainty value, a reference to the literature value is given.
For many of the interstellar species the previously published tabulations of critically evaluated laboratory data [4-25] were the source of both measured and calculated frequencies cited here. In many cases for species treated in the publications indicated above, new spectral data have been reported and have been combined with the earlier data sets and reanalyzed to provide predicted frequencies employed here. Some of the earlier reviews also have a frequency limit of 200 GHz or 300 GHz, while new interstellar observations range up to 725 GHz. Thus, for most of the smaller species (diatomic, triatomic, etc.) calculations were extended to higher frequencies with new laboratory data included where available. The earlier reviews on CH3OH [6], CH3CHO [12], and HCOOCH3 [19] are out-dated and new reviews were used (ref. [Xu_97], [Kle91], and [Oes99]). In a few cases, e.g., for radical species such as C2H, C3N, C4H, etc., the on-line catalogs developed at the Jet Propulsion Laboratory (JPL) [26] and at the University of Köln [27] were used as the source of calculated frequencies.