cologne_data [CDMS classic documentation]

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==== This directory contains data related to spectroscopic projects performed in the Cologne Laboratories ====

The individual directories contain files to be used with the Pickett program (among them line and parameter files; in some cases additional files, such as fit files, are provided). In many instances the respective directories contain data of several isotopomers and several vibrational states which may be put in separate subdirectories.

Currently, information on the following molecules can be obtained:


| CCl<sup>+</sup> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/CCl+/|Chloromethylidynium]] |
| CF | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/CF/|Fluoromethylidyne]] |
| CHN, [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/HCN/|HCN]] | Hydrogen cyanide |
| CHN, [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/HNC|HNC]] | Hydrogen isocyanide |
| CHP, [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/HCP/|HCP]] | Phosphaethyne, methylidynephosphine |
| CHS<sup>+</sup>, [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/HCS+/|HCS]]<sup>+</sup> | Thiomethylium, thioformyl |
| CH<sub>2</sub> | [[https://cdms.astro.uni-koeln.de/classic/predictions/pickett/beispiele/CH2/|Methylene]] |
| CH<sub>2</sub>N<sub>2</sub>, H<sub>2</sub>NCN | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/Cyanamide/|Cyanamide]] |
| CH<sub>2</sub>O, H<sub>2</sub>CO | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/H2CO/|Formaldehyde]] |
| CH<sub>2</sub>S, H<sub>2</sub>CS | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/H2CS/|Thioformaldehyde]] |
| CH<sub>3</sub><sup>+</sup> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/CH3+/|Methylium]] |
| CH<sub>4</sub>O, CH<sub>3</sub>OH | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/Methanol/|Methanol]] |
| CH<sub>4</sub>N<sup>+</sup>, H<sub>2</sub>CNH<sub>2</sub><sup>+</sup>| [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/Aminomethylium/|Aminomethylium]] |
| CH<sub>4</sub>S, CH<sub>3</sub>SH | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/Methanethiol/|Methanethiol]] |
| CN<sup>+</sup> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/CN+/|Nitrilomethylium]] |
| [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/CO/|CO]] | Carbon monoxide |
| [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/CO+/|CO]]<sup>+</sup> | |
| [[https://cdms.astro.uni-koeln.de/classic/predictions/catalog/archive/CP/|CP]] | |
| [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/CS/|CS]] | Carbon monosulfide |
|C<sub>2</sub>H, [[https://cdms.astro.uni-koeln.de/classic/predictions/catalog/archive/C2H/|CCH]] | Ethynyl |
|C<sub>2</sub>H<sub>3</sub>N, CH<sub>3</sub>CN | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/CH3CN/|Methyl cyanide]], acetonitrile|
|C<sub>2</sub>H<sub>4</sub>O, //c//-C<sub>2</sub>H<sub>4</sub>O | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/Oxiran/|Oxirane]] |
|C<sub>2</sub>H<sub>4</sub>O<sub>2</sub>, CH<sub>3</sub>COOH | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/HAc/|Acetic acid]] |
|C<sub>2</sub>H<sub>4</sub>S, C<sub>2</sub>H<sub>3</sub>SH | Vinyl mercaptan, [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/VySH/|Ethenethiol]] |
|C<sub>2</sub>H<sub>5</sub>N, //c//-C<sub>2</sub>H<sub>4</sub>NH | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/c-C2H4NH/|Ethylenimine]], aziridine |
|C<sub>2</sub>H<sub>6</sub>O, C<sub>2</sub>H<sub>5</sub>OH | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/EtOH/|Ethanol]] |
|C<sub>2</sub>H<sub>6</sub>O, CH<sub>3</sub>OCH<sub>3</sub> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/DME/|Dimethyl ether]] |
|C<sub>2</sub>H<sub>6</sub>O<sub>2</sub> | Ethylene glycol, [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/glycol/|1,2-ethanediol]] |
|C<sub>2</sub>H<sub>7</sub>O | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/DMA/|Dimethylamine]] |
|C<sub>2</sub>NP, [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/NCCP/|NCCP]] | //C//-cyanophosphaethyne |
|C<sub>3</sub>, ν<sub>2</sub>  | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/C3/|Propadienediylidene]] |
|C<sub>3</sub>HP, [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/HCCCP/|HCCCP]] | Phosphabutadiyne |
|C<sub>3</sub>H<sub>2</sub>O, //c//-H<sub>2</sub>C<sub>3</sub>O | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/Cyclopropenone/|Cyclopropenone]] |
|C<sub>3</sub>H<sub>3</sub>N, C<sub>2</sub>H<sub>3</sub>CN | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/VyCN/|Vinyl cyanide]], propenenitrile, acrylonitrile |
|C<sub>3</sub>H<sub>4</sub>, CH<sub>3</sub>CCH | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/CH3CCH/|Propyne]], methylacetylene |
|C<sub>3</sub>H<sub>5</sub>P, C<sub>2</sub>H<sub>5</sub>CP | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/EtCP/|Phosphabutyne]], propylidynephosphine, propylidynephosphane |
|C<sub>3</sub>H<sub>6</sub>O, CH<sub>3</sub>CH<sub>2</sub>CHO| [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/CH3CH2CHO/|Propanal]] |
|C<sub>3</sub>H<sub>6</sub>O, CH<sub>3</sub>C(O)CH<sub>3</sub> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/Propanon/|Propanone]] |
|C<sub>3</sub>H<sub>8</sub>O<sub>2</sub>, CH<sub>3</sub>CHOHCH<sub>2</sub>OH | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/1,2-Propandiol/|1,2-Propanediol]] |
|C<sub>4</sub>H<sub>4</sub>, H<sub>2</sub>CC(H)CCH | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/C4H4/|Butenyne]], vinylacetylene |
|C<sub>4</sub>H<sub>7</sub>N, CH<sub>3</sub>(CH<sub>2</sub>)<sub>2</sub>CN | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/n-PrCN/|normal-Propyl cyanide]] |
|C<sub>4</sub>H<sub>7</sub>N, (CH<sub>3</sub>)<sub>2</sub>CHCN | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/i-PrCN/|iso-Propyl cyanide]] |
|C<sub>4</sub>H<sub>8</sub>, (CH<sub>3</sub>)<sub>2</sub>CCH<sub>2</sub> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/Isobutene/|Isobutene]] |
|C<sub>4</sub>H<sub>10</sub>O, (C<sub>2</sub>H<sub>5</sub>)<sub>2</sub>O | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/DEE/|Diethyl ether]] |
|C<sub>5</sub>HN, HC<sub>5</sub>N | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/HC5N/|Cyanodiacetylene]], pentadiynenitrile |
|//c//-C<sub>5</sub>H<sub>6</sub> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/c-C5H6/|Cyclopentadiene]] |
|C<sub>5</sub>H<sub>9</sub>N, //i//-C<sub>4</sub>H<sub>9</sub>CN | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/i-BuCN/|3-Methylbutyronitrile]] |
|C<sub>5</sub>H<sub>9</sub>N, //n//-C<sub>4</sub>H<sub>9</sub>CN | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/n-BuCN/|n-Butyl cyanide]] |
|C<sub>5</sub>H<sub>9</sub>N, //s//-C<sub>4</sub>H<sub>9</sub>CN | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/s-BuCN/|2-Cyanobutane]] |
|C<sub>7</sub>HN, HC<sub>7</sub>N | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/HC7N/|Cyanotriacetylene]], heptatriynenitrile |
|ClFO, [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/FClO/|FClO]] | Chlorosyl fluoride |
|[[https://cdms.astro.uni-koeln.de/classic/predictions/daten/ClF3/|ClF]]<sub>3</sub> | Chlorine trifluoride |
|ClK, [[https://cdms.astro.uni-koeln.de/classic/predictions/pickett/beispiele/KCl/|KCl]] | Potassium chloride |
|ClNa, [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/NaCl/|NaCl]]| Sodium chloride |
|HN, [[https://cdms.astro.uni-koeln.de/classic/predictions/pickett/beispiele/NH/|NH]]| Imidogene |
|HP, [[https://cdms.astro.uni-koeln.de/classic/predictions/catalog/archive/PH/|PH]] | Phosphinidene |
|H<sub>2</sub>N, NH<sub>2</sub> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/NH2/|Amidogen]] |
|H<sub>2</sub>O, H<sub>2</sub>O | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/H2O/|Water]] |
|H<sub>2</sub>P, PH<sub>2</sub>| [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/PH2/|Phosphidogen]] |
|H<sub>3</sub><sup>+</sup>, [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/H3+/|H]]<sub>3</sub><sup>+</sup>|trihydrogen cation; protonated H<sub>2</sub> |
|H<sub>3</sub>N, NH<sub>3</sub>| [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/NH3/|Ammonia]] |
|H<sub>3</sub>NO, NH<sub>2</sub>OH | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/NH2OH/|Hydroxylamine]] |
|OS, [[https://cdms.astro.uni-koeln.de/classic/predictions/catalog/archive/SO/|SO]]| Sulfur monoxide |
|OS<sub>2</sub>, S<sub>2</sub>O | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/S2O/|Dithioozone]] |
|O<sub>2</sub>S<sub>2</sub>, S<sub>2</sub>O<sub>2</sub> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/S2O2/|Disulfur dioxide]] |
|OSi, SiO | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/SiO/|Silicon monoxide]] |
|O<sub>2</sub> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/O2/|Oxygen]] |
|O<sub>2</sub>S, SO<sub>2</sub> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/SO2/|Sulfur dioxide]] |
|O<sub>2</sub>Ti, TiO<sub>2</sub> | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/TiO2/|Titanium dioxide]] |
|SSi, SiS | [[https://cdms.astro.uni-koeln.de/classic/predictions/daten/SiS/|Silicon monosulfide]] |