The files in the Entries section contain predictions for atoms and molecules of astrophysical and atmospheric interest as well as some documentation on which data have been used for the predictions. At present, the aim of of this page is to supplement data bases such as the JPL catalog. Herb Pickett's programs SPFIT and SPCAT have been used for the most part to generate the predictions.

After some general remark, a brief description of the format of the catalog entries follows below along with remarks on the selection rules and assignments, comments on the reliability of the predictions, remarks on the partition function, and some useful equations.

The structure of the files is described in detail in the Letter THE COLOGNE DATABASE FOR MOLECULAR SPECTROSCOPY, CDMS by H. S. P. Müller, S. Thorwirth, D. A. Roth, and G. Winnewisser; *Astron. Astrophys.* 370 (2001) L49 – L52.
An update on the CDMS appeared somewhat later: H. S. P. Müller, F. Schlöder, J. Stutzki, and G. Winnewisser, THE COLOGNE DATABASE FOR MOLECULAR SPECTROSCOPY, CDMS: A USEFUL TOOL FOR ASTRONOMERS AND SPECTROSCOPISTS, *J. Mol. Struct.* 742, 215–227 (2005).

Please acknowledge use of the CDMS by citing these articles. You are very welcome to state the web address also. We recommend to cite the original sources of the data too, which are given in the documentations, at least as far as this is feasible. Since the format in the CDMS catalog is identical to the one in the JPL catalog information can also be found in the article SUBMILLIMETER, MILLIMETER, AND MICROWAVE SPECTRAL LINE CATALOG by H. M. Pickett, R. L. Poynter, E. A. Cohen, M. L. Delitsky, J. C. Pearson, and H. S. P. Müller; *J. Quant. Spectrosc. Radiat. Transfer* 60 (1998) 883 – 890.

Some catalog entries are available with frequencies in units of cm–1. This applies mainly to light hydrides and some stable molecules that might be of interest as secondary standards in the laboratory or in radioastronomical observations.

Vibration-rotation transitions in the far-infrared region have been included for C~3~. They may be included in a greater number in the near future. Vibration-rotation transitions in the mid-infrared region are currently not considered to be included in the database. If there is a genuine interest for such information to be included in our database please use the comments and suggestions option below in order to suggest species. Information on background literature is desirable !!

As in the JPL catalog, the species are sorted according to their molecular weight in atomic mass units, which also constitutes the first three digits of the six digit molecule tag (with leading zeros frequently omitted), the fourth digit is a 5 (to avoid any conflict with the JPL numbering scheme), and the last two digits are used to number entries with the same molecular weight.

C. P. Endres, S. Schlemmer, P. Schilke, J. Stutzki, and H. S. P. Müller, The Cologne Database for Molecular Spectroscopy, CDMS, in the Virtual Atomic and Molecular Data Centre, VAMDC J. Mol. Spectrosc. 327, 95–104 (2016)
H. S. P. Müller, F. Schlöder, J. Stutzki, and G. Winnewisser, J. Mol. Struct. 742, 215–227 (2005)
H. S. P. Müller, S. Thorwirth, D. A. Roth, and G. Winnewisser, Astronomy and Astrophysics 370, L49–L52 (2001)

Comments and suggestions are very welcome. Please send an email to one of the following persons:

  Dr. Holger S. P. Müller     hspm(at)ph1(Dot)uni-koeln(Dot)de
  Dr. Christian P. Endres     cendres(at)mpe(Dot)mpg(Dot)de
  Prof. Dr. Peter Schilke     schilke(at)ph1(Dot)uni-koeln(Dot)de
  Prof. Dr. Stephan Schlemmer schlemmer(at)ph1(Dot)uni-koeln(Dot)de

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