====== Archive ====== ===== What is not quite so new anymore? ===== Aug. 2003: the layout of the page has been changed. In addition, several changes and improvements have been made. Details are given below. ===== Less Recent Catalog Entries ===== * Dec. 2023: D2CS; C6H, //v// = 0; C6H, //v//11 = 1 //μ//Σ; C6H, //v//11 = 1 Δ; isobutene. * Nov. 2023: CD3OD, //v//t = 0; CD3OD, //v//t = 1; SO18O; CH3C(NH)CH3; //trans//-HONO; //cis//-HONO. * Oct. 2023: H2CS, //v//4 = 1; H2CS, //v//6 = 1; H2CS, //v//3 = 1; H2CS, //v//2 = 1; H2CS, //υ//4 IR band; H2CS, //υ//6 IR band; H2CS, //υ//3 IR band; H2CS, //υ//2 IR band; allylimine-Ta; H2C2S; CN+, //v// = 0; CN+, //v// = 1 − 0. * Sep. 2023: C10H−; SiCl+, //v// = 0, 1; CHD2CHO, //v//t = 0; //c//-C3H2D+; extended CHD2OH entry in frequency. * Aug. 2023: H2C3H+; SiF+, //v// = 0, 1; SiF+, //v// = 1 − 0, 2 − 1; SiF+, //v// = 2 − 0; 29SiF+, //v// = 0; 30SiF+, //v// = 0. * Jul. 2023: NO+, //v// = 0, 1; NO+, //v// = 1 − 0, 2 − 1; NO+, //v// = 2 − 0; HC3O+. * Jun. 2023: HMgC3N; NaC3N; CH3NHCH3; HSO; CCl+; C37Cl+; 13CCl+. * May 2023: MgC6H+; MgC5N+. * Apr. 2023: //c//-CD2CH2O; MgC4H+; MgC3N+. * Mar. 2023: C6H5C3N; 1-CN-4-CCH-C6H4; 1-CN-2-CCH-C6H4; 1-CN-3-CCH-C6H4. * Feb. 2023: OH, //v// = 0; OH, //v// = 1; OH, //v// = 2; C7N−; C12H; C10H−. * Feb. 2023: Adjusted Q values and //g//up of excited state HC5N entries and the IR band to be compatible with version 2 of //v// = 0. * Jan. 2023: MgC13C; urea, //v// = 0; urea, //v//1; urea, //v//2 & //v//3; urea, //v//4 & //v//5. * Dec. 2022: DCS; H13CS; ethynylbutatrienylidene, NC4NH+; MgC2; 26MgC2; 25MgC2. * Nov. 2022: HC4S; DSC; HS13C. * Oct. 2022: //t//-C2H3NCO; //cis//-C2H3NCO; //g'Gg'//-alaninol; //gG'g//-alaninol; 2-hydroxypropenal. * Sep. 2022: 13CH3OCH3; 2-Iminopropanenitrile; //c//-C2H3DO. * Aug. 2022: //E//-1-propanimine; //Z//-1-propanimine; //Z//-propynimine; //E//-propynimine; HC(O)OCH2D; HC(O)OCHD2; DC(O)OCH3; 13CH3C(O)CH3; corrected intensities of SiS, //v// ≤ 19 and Si33S, //v// ≤ 9. * Jul. 2022: Ethenylidenecyclopentadiene; ethynylcyclopropynylidyne; allenyldiacetylene; heptatetraen-6-yne; allenylcyanoacetylene. * Jun. 2022: H213CC2S; HDC3S; H2C334S. * May 2022: H2C13CS; H213CCS; H2CC34S; HDC2S; H2C3S; H2C213CS; H2C13CCS. * Apr. 2022: //syn//-C2H3C(O)NH2, //v// = 0; //syn//-C2H3C(O)NH2, //v//24 = 1. * Mar. 2022: //c//-C2H4O; //c//-C13CH4O; //c//-C2H418O; CD3OH, //v//t = 0; CD3OH, //v//t = 1; CHD2OH, //v//t = 0; HCCNCH+; HC7NH+. * Feb. 2022: MgS, //v// = 0, 1; 25MgS, //v// = 0; 26MgS, //v// = 0; Mg34S, //v// = 0; MgO, //v// = 0 − 2; 25MgO, //v// = 0, 1; 26MgO, //v// = 0, 1. * Jan. 2022: H2CCNH; 47TiO, //v// = 0; 47TiO, //v// = 1; 47TiO, //v// = 2; 47TiO, //v// = 3; glycinamide; 49TiO, //v// = 0; 49TiO, //v// = 1; 49TiO, //v// = 2; 49TiO, //v// = 3. * Dec. 2021: s-//cis//-H2C=CHCOOH; s-//trans//-H2C=CHCOOH; 1,3-//c//-C6H8; //c//-C5H6-13C1; //c//-C5H6-13C2; //c//-C5H6-13C5; //c//-C5H6-D1; //c//-C5H6-D2; //c//-C5H6-D5; HC3HCN; HCCS+. * Nov. 2021: fulvene; benzvalene; dewar benzene; dimethylenecyclobutene; norbornadiene; 3-methylene-1,4-cyclohexadiene; spiro[2.4]hepta-4,6-diene; //c//-C5H4O; ethylidenecyclopentadiene. * Oct. 2021: NCCNO; azulene; azenaphthene; CCD; azenaphthylene; fluorene. * Sep. 2021: //anti//-CH2CCHCH2CN; //syn//-CH2CCHCH2CN; MgC5N; H2NC; MgC6H. * Aug. 2021: Z-CH2(CH)3CN; E-CH2(CH)3CN. * Jul. 2021: HC(S)CN; HC(34S)CN. * Jun. 2021: CH2(OH)CHO, //v// = 0; CH2(OH)CHO, //v//18 = 1; CH2(OH)CHO, //v//12 = 1; CH2(OH)CHO, //v//17 = 1; CaH+; CH2DCCD; CHD2CCH; //l//-C5H2; H2C3HCCH; //l//-C8H2; CH2DC3N; HC2CHS. * May 2021: 44TiO, //v// = 0; 44TiO, //v// = 1; H2CNOH; indene; //c//-C5H6; //c//-C3HCCH. * Apr. 2021: 50TiO, //v// = 0; 50TiO, //v// = 1; 50TiO, //v// = 2; 50TiO, //v// = 3; Ti18O, //v// = 0; Ti18O, //v// = 1; Ti18O, //v// = 2; Ti18O, //v// = 3. * Mar. 2021: TiO, //v// = 0; TiO, //v// = 1; TiO, //v// = 2; TiO, //v// = 3; TiO, //v// = 4; TiO, //v// = 5; 46TiO, //v// = 0; 46TiO, //v// = 1; 46TiO, //v// = 2; 46TiO, //v// = 3. * Feb. 2021: //c//-H2C3O; //c//-HDC3O; //c//-H2C213CO; //c//-H213CCCO; //c//-H2C318O; //c//-D2C3O; H2C(CCH)2; HC3S+. * Dec. 2020: HOCH2C(O)NH2; NH3, //v// = 0 with HFS; CH2OH. * Oct. 2020: HC4NC; HC6NC; HC(S)NH2; HC3O+; aminoacetonitrile, //v// = 0; aminoacetonitrile, //v//11 + //v//18 = 1; aminoacetonitrile, //v//17 = 1; butadiynyliminomethylium. * Sep. 2020: CH2D37Cl; HCCCH2CN; CH3ONH2. * Aug. 2020: HC7N, //v// = 0; HC5N, //v// = 0; CH3OCH2OH; CH3OCN; C2H5NCO; CH2DCl. * July 2020: CD3CN; CH313CHO, //v//t ≤ 1; 13CH3CHO, //v//t ≤ 1; HC9N, //v// = 0; DC9N; H13CC8N; HC13CC7N; HC213CC6N; HC313CC5N; HC413CC4N; HC513CC3N; HC613CC2N; HC713CCN; HC813CN; HC915N. * June 2020: NCHCCO. * May 2020: CH3SH, //v//t ≤ 2; 18O; CH3SD, //v//t ≤ 2; CH334SH, //v//t ≤ 2; 13CH3SH, //v//t ≤ 2. * Apr. 2020: 3-Aminopropionitrile, conf. I; 3-aminopropionitrile, conf. II; CH3C13CH; CH313CCH; 13CH3CCH; CH313C13CH; 13CH3C13CH; 13CH313CCH; CH3CCD; CH3C13CD; CH313CCD; 13CH3CCD; CH2DC13CH; CH2D13CCH; 13CH2DCCH; the old 13CH3OH entry is now available with intensities at 300 K, as is generally the case. * Mar. 2020: C4D; 13CCCCH; C13CCCH; CC13CCH; CCC13CH. * Feb. 2020: O18O; 18O2; O2, a 1Δ; C4H, //v// = 0; C4H, //v//7 = 1; C4H, //v//7 = 20; C4H, //v//7 = 22; C4H, //v//6 = 1; C4H, //v//5 = 1; C4H, //v//6 = //v//7 = 1. * Jan. 2020: 26AlO, v = 0; 26AlO, v = 1 − 2; O2, X 3Σ, //v// = 0. * Dec. 2019: Aminomethylium; AlO, //v// = 0; AlO, //v// = 1 − 2; AlO, //v// = 3 − 5; Al18O, v = 0; Al18O, v = 1 − 2; Al17O, v = 0; Al17O, v = 1 − 2. * Nov. 2019: Si33S, //v// = 0 − 9. * Oct. 2019: PO, //v// = 0; PO, //v// = 1, 2; PO, //v// = 3 − 5; MgC3N; MgC4H; CH3CHOHCHO; SiS, //v// = 0 − 20; 29SiS, //v// = 0 − 12; 30SiS, //v// = 0 − 12; Si34S, //v// = 0 − 12. * Sep. 2019: //syn//-vinyl alcohol; //anti//-vinyl alcohol; propargylamine; PN, //v// = 0 − 5. * July 2019: AlCl, //v// = 0 − 10; Al37Cl, //v// = 0 − 10; 26AlCl, //v// = 0 − 2; 26Al37Cl, //v// = 0 − 2; Al36Cl, //v// = 0 − 2. * June 2019: HCCO; DCCO; NaCl, //v// = 0 − 15; Na37Cl, //v// = 0 − 15; Na36Cl, //v// = 0 − 5. * May 2019: K37Cl, //v// = 0 − 15; 41KCl, //v// = 0 − 15; 41K37Cl, //v// = 0 − 15; 40KCl, //v// = 0 − 5; 40K37Cl, //v// = 0 − 5; K36Cl, //v// = 0 − 5; 41K36Cl, //v// = 0 − 5; HCCSH; CH3COOH, //vt// = 0; CH3COOH, //vt// = 1; CH3COOH, //vt// = 2; CH3COOH, Δ//vt// ≠ 0; corrected partition function values and rotational parameters in the propene documentation. * Apr. 2019: //syn//-C2H3SH; //anti//-C2H3SH; CH3CDO, //vt// = 0, 1; CH2DCHO, //vt// = 0; TiF; KCl, //v// = 0 − 15. * Mar. 2019: H2N13CN; H215NCN; H2NC15N; FeN; CrO; CrN; CrF; CrCl; Cr37Cl; CrH. * Mar. 2019: Updated CDMS links in several arXiv versions of manuscripts and made some available newly. The same applies to the Cologne Stectroscopy Data section. * Feb. 2019: FeO Ω = 4; FeO Ω = 3; FeO Ω = 2; 54FeO Ω = 4; 54FeO Ω = 3; 54FeO Ω = 2. * Jan. 2019: AlF, //v// = 0 − 5; 26AlF, //v// = 0 − 2; //p-c//-SiC3; HSCO+; DSCO+. * Dec. 2018: HFS data for H2CO were extended to include //R//-branch transitions with //J// up to 5 and //Ka// = 1. * Nov. 2018: //E//-HNCHCN; //Z//-HNCHCN; cyanooxirane; HCCCH2CN; CH3OCH2CHO. * Oct./Nov. 2018: Several outdated links were corrected. * Oct. 2018: //c//-C6H5CCH; H2NNC. * Sep. 2018: Corrected //Ka// designation of //E// levels of methanol; "≤" now reads "≥" and ">" now reads "<". * Aug. 2018: 3-methylanti- and -gauchebutyronitrile; CH3NC; NaS; KS; 15NH; CH3D; the CH3CNO entry is available with separated //A1// / //A2// lines. * July 2018: //i//-C3H713CN; (CH3)213CHCN; 13CH3(CH3)CHCN; AlSH; NaSH; MgSH; CaSH; KSH. * June 2018: corrected files with HFS for isotopic CH3CN in //v//8 = 1. * May 2018: C2H5NC. * Apr. 2018: //g-i//-C3H7OH; //a-i//-C3H7OH; AlC2; //trans//-HC(S)SH; //cis//-HC(S)SH. * Mar. 2018: H2C4S; H2C5S; DCCCHO; HCCCDO; HCC13CHO; HC13CCHO; H13CCCHO; corrected tags of pentadiynal and heptatriynal; corrected files without HFS for isotopic CH3CN in //v//8 = 1. * Feb. 2018: DS2; pentadiynal; heptatriynal; propynethial; pentadiynethial; NS+; HC4S; HC5S; HC7S; CHD2+. * Jan. 2018: HD2+; HDNCN; HCCS; HC3S; H2C4O; //s//-propanal, //v// = 0; //s//-propanal, //v//24 = 1; //s//-propanal, //v//23 = 1; //g//-propanal, //v// = 0; C6S; C9S; created hyperfine predictions for benzonitrile; the CH3CN files with HFS have been corrected as well. * Dec. 2017: HC15N, //v// = 0; HC15N, //v//2 = 1; HC15N, //v//2 = 2; HC15N, //v//2 = 3; HC15N, //v//3 = 1; HC15N, //v//1 = 1; the standard entry of CH2OH is available with 6 quantum numbers; the standard CH3CN entries (without HFS) have been corrected. * Nov. 2017: HNC3. * Oct. 2017: SiH+, //v// = 0; SiH+, //v// = 1 − 0; urea; SH+; 34SH+. * Sep. 2017: H2CSiH2; H2CSi; //c//-H2C2Si; H2C2Si; 2-Cyano-//anti//-butane. * Aug. 2017: 15N2H+; 15N2D+; HC4O; HC5O; HC6O; HC7O; H2NCH2CN, //v//11 + //v//18 = 1; H2NCH2CN, //v//17 = 1; a new compilation is available for CH3OH, //v//t = 0 − 2. * July 2017: DOCO+; HOCO+; HO13CO+; separate //para// and //ortho// predictions with 14N hyperfine splitting are available for NH2D. * May 2017: //g'Ga//-1,2-propanediol; //gG'g'//-1,2-propanediol; //aGg'//-1,2-propanediol; //g'Gg//-1,2-propanediol; added separate //para// and //ortho// predictions for H2CO. * Apr. 2017: //i//-C3H7CN, //v//30 = 1; H2NCH213CN; H2N13CH2CN; //G'Gg'gg'//-glycerol; //GGag'g'//-glycerol; benzaldehyde; anisole; 13CH313CH213CN. * Mar. 2017: 1-butyne; H2D+; CH2OH; HOCH2CN; corrected intensities of CH3O13CHO which were too low by a factor of 2. * Feb. 2017: H2C17O; H2C18O; H2CO; H2O+; //i//-C3H713CN; (CH3)213CHCN; 13CH3(CH3)CHCN. * Jan. 2017: NO+, //v// = 0, 1; C2H3D; CH3OCN; vinyl formate; propene. * Dec. 2016: //n//-C3H7CN, //v// = 0; //g-n//-C3H7CN, //v//30 = 1; //a-n//-C3H7CN, //v//30 = 1; //g//-//n//-C3H7CN, //v//29 = 1; //a//-//n//-C3H7CN, //v//18 = 1; //g-n//-C3H7CN, //v//30 = 2; //a-n//-C3H7CN, //v//30 = 2; //g//-//n//-C3H7CN, //v//28 = 1; //a//-//n//-C3H7CN, //v//29 = 1. * Nov. 2016: C2H5OH, //v// = 0; CH3CN, //v// = 0; CH3CN, //v//8 = 1; CH3CN, //v//8 = 2; CH3CN, v8; CH3CN, 2//v//8 − //v//8; CH3CN, 2//v//8. * Oct. 2016: ScO; oxetane; diketene; C2H5CN, //v//20 = 1-A; C2H5CN, //v//12 = 1-A. * Sep. 2016: CH3CNO; CH2D+. * Aug. 2016: CH3C15N, //v//8 = 1; carbonyl cyanide; DNCS, //a//-type; DNCS, //b//-type; HNC34S, //a//-type; HN13CS, //a//-type; H15NCS, //a//-type; H34SCN; HS13CN; DSCN; HSC15N; HCNS; HSNC. * July 2016: HSO; 13CH3CN, //v//8 = 1; CH313CN, //v//8 = 1; imported CH3SH from VAMDC version of CDMS; extended HFS predictions of CH313CN and of 13CH3CN; modified tag of 30Si18O which was in conflict with that of CH3SH. * June 2016: HON2+; HN2O+; propylene oxide. * May 2016: HSCH2CN; 15NH2; CrC. * Apr. 2016: CH313CH213CN; 13CH3CH213CN; 13CH313CH2CN; //t//-C4H9CN. * Mar. 2016: CH3NCO, //vb// = 0; CH3NCO, //vb// = 1. * Feb. 2016: //cis//-C2H2O2; 3-hydroxypropenal. * Jan. 2016: OH+; HD13CO; HDC18O; HDCO; D2CO; D213CO; D2C18O. * Dec. 2015: 3 //c//-C3HD isotopologs with 13C. * Nov. 2015: //trans//-Propenal; //l//-C3HD. * Oct. 2015: SiC2, //v//3 = 1; SiC2, //v//3 = 2; SiC2, //v//3 = 3 (extrapolation); SiC2, //v//3 = 4 (extrapolation). * Sep. 2015: //gauche//-C2H5SH; //gauche//-C2H534SH; //anti//-C2H5SH. * Aug. 2015: //a//-CH3CH2OD; //a//-CH3CHDOH; //a//-//a//-CH2DCH2OH; //a//-//s//-CH2DCH2OH; CH2(OD)CHO; CHD(OH)CHO; CH2(OH)CDO; corrected intensities in N2D+ entry without HFS. * July 2015: NCCNH+; NCCND+; NC13CNH+; N13CCNH+; CH2CHCNH+; HCCNSi; NCNSi. * June 2015: H2PCN; Si2C, //v// = 0; PCN; CH. * May 2015: C5H; C413CH; C313CCH; C213CC2H; C13CC3H; 13CC4H; C5D; CH3O13CHO, //vt// = 0, 1; imported dimethyl ether entry with corrected //K// quanta. * Mar. 2015: SH, //v// = 0; SH, //v// = 1; C3H+; added two ground-state HFS components each to entries of H2Cl+ and H237Cl+. * Feb. 2015: C5S; C534S; 13CC4S; C13CC3S; C213CC2S; C313CCS; C413CS; C7S; imported CH318OH entry. * Jan. 2015: NO, //v// = 0; NO, //v// = 1; 15NO; N18O; N17O; 15N18O; 15N17O; //Ga-n//-C3H7OH. * Dec. 2014: H2S2; SiC3H; SiC2N; SiC4H; SiC3N; //cis//-S2O2; added comment on dipole moment of SiCCH. * Nov. 2014: H13CN, //v// = 0; H13CN, //v//2 = 1; H13CN, //v//2 = 2; H13CN, //v//2 = 3; H13CN, //v//3 = 1; H13CN, //v//1 = 1; C2N; relegated 3rd N2H+ entry to the archive; the 4th entry is now the only one in the catalog. * Oct. 2014: AlC3N. * Sep. 2014: SiH3CN; SiH313CN; 29SiH3CN; 30SiH3CN; SiH3CCH; OH−; SH+. * Aug. 2014: //aG'g//-propanediol; //gG'a//-propanediol; //g'G'g//-propanediol; added comment on reported //J// = 2 − 1 transition frequency of AlH in the documentation. * Jul. 2014: provided missing DNC files. * Jun. 2014: Pyridine; Furan; Pyrrole. * May 2014: Glyceraldehyde; //l//-C3D2; H2CNH; H213CNH; H2CND; H2C15NH; //n//-C3H7CN; //o-c//-SiC3; renamed //c//-SiC3 //p-c//-SiC3. * Apr. 2014: N2H+, //v// = 0; previous entry will be kept temporarily as alternative entry; HNSi; dibridged Si2H2; monobridged Si2H2; //trans//-HC(O)SH; //cis//-HC(O)SH. * Mar. 2014: //a'GG'g//-1,3-Propanediol; //gGG'g//-1,3-propanediol; C4N. * Feb. 2014: 29Si17O, //v// = 0 − 2, 30Si17O, //v// = 0 − 2; //E//-HNCHCN; //Z//-HNCHCN; H2CNCN; C3H+. * Jan. 2014: SiO, //v// = 0 − 10; 29SiO, //v// = 0 − 6; 30SiO, //v// = 0 − 6; Si18O, //v// = 0 − 5; Si17O, //v// = 0 − 4; 29Si18O, //v// = 0 − 3; 30Si18O, //v// = 0 − 3. * Dec. 2013: H2NCH2CN; HDNCH2CN; D2NCH2CN; s-//cis//-H2C=CHCOOH; s-//trans//-H2C=CHCOOH; 38ArH+; added isotope explanations to all ArH+ isotopologs; corrected slight errors in S atom entry. * Nov. 2013: H2NCO+; methyleneaminoacetonitrile; MgOH; CaOH. * Oct. 2013: Propadienonethione; CH2D+; //trans//-HOCO; //cis//-HOCO; corrected minor frequency issues in the data for ethanol with one 13C. * Sep. 2013: //c//-C2H4S; HMgNC; HSiCN; HSiNC; NH3D+; //c//-C6H5OH. * Aug. 2013: CO+, //v// = 0; CO+, //v// = 1; 13CO+; C18O+; 13C18O+. * July 2013: CH2DCN; CHD2CN. * June 2013: C3S, //v// = 0; C334S; 13CCCS; C13CCS; CC13CS; C13C13CS; 13CC13CS; CC13C34S; C13CC34S, 13CCC34S; C3S, //v//5 = 1. * May 2013: PH3; TiO; reevaluated HN13C. * Apr. 2013: malononitrile; formamide, //v// = 0; formamide, //v//12 = 1; H13C(O)NH2; DC(O)NH2; reevaluated CH3C8H, CH3C7N, and CH3C9N; corrected partition function in HC(18O)NH2 documentation. * Feb. 2013: CH2(OH)13CHO; 13CH2(OH)CHO; C2H513CN; CH313CH2CN; 13CH3CH2CN; lowered intensity cut-offs for PH3 entry. * Jan. 2013: C2H5NH2, //anti//-conformer. * Dec. 2012: HSiS; HSiO. * Nov. 2012: H2F+; H2SiO; H2SiS; C3H+. * Oct. 2012: corrected spin-statistics for //c//-C2H4O and //c//-C2H418O; some links and references have been corrected. * Sep. 2012: YO; AlS; AlCCH; ScS; YS; HSO. * Aug. 2012: //a//-CH313CH2OH; //a//-13CH3CH2OH. * July 2012: //c//-C3D2; HCCO; HNCN; H2CNH; //c//-C2H4O; //c//-C13CH4O; //c//-C2H418O; corrected 13C+ and 36ArH+ entries. * June 2012: //c//-C3HD; //c//-13CC2H2; //c//-CC13CH2. * May 2012: //c//-C3H2; H2O+; OD+; 18OH+. * Apr. 2012: HC5N, //v//11 = 5; HC3N, //v//4 = 1; HC3N, //v//7 = 4 / //v//5 = //v//7 = 1; HC3N, //v//6 = 2; corrected and applied transition dipole moment for HCCCN, //v//1 band. * Mar. 2012: //AA//-//n//-C4H9CN, //GA//-//n//-C4H9CN, //AG//-//n//-C4H9CN, HC5N, //v//10 = //v//11 = 1; modified state description of //v//6 = //v//7 = 1 for HCCCN as well as its isotopologs with one 13C. * Feb. 2012: H2D+; HD2+; 2-Aminopropionitrile; extended //J// range for SiO, //v// = 0 − 6; 29SiO, //v// = 0 − 3; 30SiO, //v// = 0 − 3; Si18O, //v// = 0 − 3. * Jan. 2012: NaCN; Na13CN; HCCN; H13CCN; HC13CN; DCCN; HCC15N; reevaluated c-H2C3O entry; omitted redundant quantum numbers in 15N34S entry; corrected code for QNFMT in entries for TiS isotopologs. * Dec. 2011: SiC2, //v// = 0; 29SiC2; 30SiC2; HD; H2N13CN; HCCCN, //v//3 band; HCCCN, //v//2 band; HCCCN, //v//1 band; added separate //para// and //ortho// entries as well as //ortho// hyperfine entries for H2CCO and H2CS; updated old D2CO entry which supposedly had been updated long time ago; corrected frequency of the //F// = 2 − 1 component of 13C+. * Nov. 2011: 15NH3; HCCCN, //v//6 = //v//7 = 1; H13CCCN, //v//6 = //v//7 = 1; HC13CCN, //v//6 = //v//7 = 1; HCC13CN, //v//6 = //v//7 = 1; HCC13CN, //v//4 = 1; HCC13CN, //v//4 = //v//7 = 1. * Oct. 2011: NaCCH; CaCCH; KCCH; LiCCH; corrected ab initio dipole moment of MgCCH. * Sep. 2011: //cis//-HOSO+; HSCO+; HOCS+; C2Cl; C237Cl; C3F; C3Cl; //c//-C3HCN; C2H3C3N; (//E//)-HC2CHCHCN; (//Z//)-HC2CHCHCN. * Aug. 2011: NS, //v// = 0; NS, //v// = 1; NS, //v// = 1 − 0 IR band; N34S; N33S; 15NS; 15N34S; N36S; separate //ortho// and //para// entries are available for H2S isotopologs. * July 2011: //c//-C3H5CN; NCO−; OSiS. * June 2011: TiO2; 46TiO2; 50TiO2. * May 2011: D2O; NHD2; CH2DCN; CHD2CN. * Apr. 2011: extended frequency range for hyperfine predictions of HCN, //v// = 0. * Mar. 2011: //gG'a//-1,2-propanediol; //g'G'g//-1,2-propanediol; //c//-C3H2; renamed 1,2-propanediol //aG'g//-1,2-propanediol. * Feb. 2011: NaCl, //v// = 0 − 4; glycolic acid; glyoxylic acid; //i//-C3H7CN. * Jan. 2011: KCl, //v// = 0 − 4. * Dec. 2010: SiH. * Nov. 2010: N2H+, v2; TiS; 46TiS; 50TiS. * Sep. 2010: HCO+, v2. * Aug. 2010: C+; 13C+; O atom; N+; Si atom; S atom; Si+; Al atom; Fe atom; Fe+; SiC2. * Aug. 2010: adjusted dipole moments for CCH to old value which turned out to be better; entries for minor isotopologs of CCH may have more lines. * July 2010: CCH, //v// = 0; CCH, //v//2 = 1; CCH, //v//2 = 2; CCH, //v//3 = 1; CCH, //v//2 FIR band; CCH, //v//3 IR band; CCH, //v//2 + //v//3 IR band; CCH, 5//v//2 IR band. * June 2010: H2DO+; CH2D+; CH3OCH3, //v// = 0. * May 2010: CH+, //v// = 1 − 0; CH+, //v// = 2 − 0; 13CH+, //v// = 1 − 0; CD+, //v// = 1 − 0. * May 2010: Started to provide separate entries for //para// and //ortho// spin modifications along with separate partition function values: H2Cl+; H237Cl+; D2O. * Apr. 2010: H237Cl+; CH+; 13CH+; CD+; 13CD+; 14CH+; CT+. * Mar. 2010: corrected the tag for H2Cl+. * Feb. 2010: CF+, //v// = 0, 1; 13CF+, //v// = 0, 1; O2, a 1Δ; CaO, //v// = 0, 1; CaS, //v// = 0, 1. * Jan. 2010: O2, X 3Σ−, //v// = 0; O18O; 18O2; C3N−; C13CH. * Dec. 2009: AlH; CH3CN, //v// = 0; 13CH3CN, //v// = 0; CH313CN, //v// = 0; CH3C15N, //v// = 0; CH2DCN; 13CH313CN. * Nov. 2009: Benzonitrile (//c//-C6H5CN); HONC; 1,2-Propanediol; HSCN; H2Cl+. * Oct. 2009: C2H3+; CH3CP. * Sep. 2009: LiOH; DCO+; DNC; HN13C. * Aug. 2009: BO; 10BO; CCH, //v// = 0; //aa//-diethyl ether; C2H5CN, //v// = 0; NaOH; KOH; 41KOH; //ag//-diethyl ether; corrected dipole moment of CH+. * July 2009: HBO; H10BO. * June 2009: CO+; CH3D; 13CH3D; //l//-C4HD; //l//-C3HD. * May 2009: CO, //v// = 1 − 3; CH+; HOCN; HC(O)NH2; H13C(O)NH2; HC(O)15NH2; HC(18O)NH2; HNCO. * Apr. 2009: //n//-C3H7CN; ethyl formate; SH+; CCP; 13CCP; C13CP. * Mar. 2009: C3H; C3D; N2H+, //v// = 0; N2D+; 15NNH+; N15NH+; 15NND+; N15ND+; corrected parities for all C3H entries. * Feb. 2009: 13CCCO; C13CCO; CC13CO; C318O; C2H5C15N; CH3CHDCN; CH2DipCH2CN; CH2DoopCH2CN. * Jan. 2009: C2H-; C4H−; CN−; HCNO; DCNO; H13CNO; HC15NO; C3O, //v// = 0; C3O, //v//5 = 1. * Dec. 2008: HCCCHO; //s//-C2H5CHO; D234S. * Nov. 2008: H234S; H233S; HD34S. * Nov. 2008: corrected CH3D entries because the catalog files did not contain the distortion corrections to the dipole moment. * Oct. 2008: PH3; HDS; α-alanine, conformer I; α-alanine, conformer II; H2S; D2S; C5N−; CS, //v// = 0 − 4. * Sep. 2008: 15NH2D; 15NHD2; C4H−, C4D−, HD13CO; D213CO. * Sep. 2008: corrected tag for CCP. As a consequnce, the tag for HS2 had to be corrected as well. * Aug. 2008: SH+; CH3CCH, //v// = 0; CH3C4H. * July 2008: CS+; HS2; BH; C3N−. * May 2008: 15NH3; C2H3CN, //v// = 0; H213CCHCN, //v// = 0; H2C13CHCN, //v// = 0; H2CCH13CN, //v// = 0; H2CCHC15N. * April 2008: HeH+; PO; CCP; PN; P15N; TiO2; 46TiO2; 50TiO2; corrected tag for 36ArH+; corrected duplicate lines in c032504.cat and c033502.cat. * Mar. 2008: DC3N, //v// = 0; DC3N, //v//7 = 1; D13CCCN; DC13CCN; DCC13CN; DC315N; CH3D. * Feb. 2008: H2CS. * Jan. 2008: H2DO+; HCCD; SiC2, //v// = 0; SiC2, //v//3 = 1; SiC2, //v//3 = 2; Si13CC; 29SiC2; 30SiC2; H2NCH2CN. * Dec. 2007: HCNH+; H13CNH+; NeH+; NeD+; 22NeH+. * Nov. 2007: corrected //g//up values and a small typographical error in the D2O entry. * Oct. 2007: HCO+, //v// = 0; HCO+, //v//2 = 1; H13CO+; DCO+; D13CO+; HC3N, //v//3 = 1; HC3N, //v//2 = 1; H3O+. * Sep. 2007: ArH+; ArD+; 36ArH+. * Aug. 2007: SiC2, //v// = 0; Si13CC; 29SiC2; 30SiC2; SiC2, //v//3 = 1. * July 2007: corrected coding of the format of the quantum numbers for C3H and its isotopic species. Corrected intensity in C3N, //v// = 0; the partition function had considered the lowest excited vibrational state, however, the old predictions did not. * June 2007: HCP, //v// = 0; H13CP * May 2007: NCS; CN−; HCN, //v// = 0; HCN, //v//2 = 1; HCN, //v//2 = 2; HCN, //v//2 = 3; HCN, //v//3 = 1; HCN, //v//1 = 1; C2H2, //v//5 − //v//4. * Apr. 2007: C2H5CN, //v// = 0; C2H513CN, //v// = 0; CH313CH2CN, //v// = 0; 13CH3CH2CN, //v// = 0; NaCN, NaNC; Na13CN, NaN13C; KCN, KNC; modified ethylenimine and SO17O entries. * Mar. 2007: Si34S, //v// = 0 − 2; Si34S, //v// = 1 − 0; 30SiS, //v// = 0 − 2; 30SiS, //v// = 1 − 0; Si33S, //v// = 0, 1 ; 29Si34S, //v// = 0, 1 ; 30Si34S, //v// = 0, 1; 29Si33S; 30Si33S; Si36S; 29Si36S; 30Si36S; C2H− * Feb. 2007: SiS, //v// = 0 − 5; SiS, //v// = 1 − 0 and //v// = 2 − 1; SiS, //v// = 2 − 0; 29SiS, //v// = 0 − 2; 29SiS, //v// = 1 − 0 * Feb. 2007: corrected tags in entries 044510 and 044511; corrected some links to files with hyperfine splitting. * Jan. 2007: SH−; C4H−; C8H−; NHD2; D2O * Jan. 2007: corrected the degree of freedom in the rotational partition function for several linear molecules; see also the brief description of the format of the catalog entries in the general section of the CDMS catalog. * Dec. 2006: H13C15N, //v// = 0; H13C15N, //v//2 = 1; OH−; OD−; 18OH− * Nov. 2006: 13CO; C6H− * Oct. 2006: H2COH+; H213COH+ * Sep. 2006: CH3OH, //vt// = 0, 1; SiN; HNCNH; CH; CS, //v// = 1 − 0 and //v// = 2 − 1; CS, //v// = 2 − 0; 13CS, //v// = 1 − 0; C34S, //v// = 1 − 0 * Aug. 2006: HCNH+; CH3CNH+; S2O, //v// = 0 * July 2006: omitted redundant vibrational identifier in c047501.cat and corrected coding of the quantum numbers * June 2006: H2CCNH; HC(O)CN; NCC(O)NH2; NO+; NCHCCO * May 2006: DC15N; D13C15N; H13CN, //v// = 0; H13CN, //v//2 = 1 * Apr. 2006: Separate //ortho// and //para// transition frequencies are available through links in the documentation files for low energy states of H2D+; HD2+; CH2; NH2; NH2D * Apr. 2006: glycine, conf. I; glycine, conf. II; DCN, //v// = 0; DCN, //v//2 = 1; D13CN; corrected QNFMT in c017501.cat, w017501.cat., c027501.cat, w027501.cat, c027503.cat, w027503.cat * Mar. 2006: C2H2, //v//5 − //v//4; H2CCCHCN; //Ga-n//-C3H7OH; C5H; //l//-13CC3H2; //l//-C13CC2H2; //l//-C213CCH2; //l//-C313CH2; corrected entry for C3, //v//2 band * Feb. 2006: H2CS; D2CS; NaC; H2C34S; H213CS; H2C33S; N2D+; N2H+, //v// = 0; N2H+, //v//2 = 1 * Jan. 2006: H13CCCN, //v//6 = 1; HC13CCN, //v//6 = 1; HCC13CN, //v//6 = 1; H13CCCN, //v//5 = 1 / //v//7 = 3; HC13CCN, //v//5 = 1 / //v//7 = 3; HCC13CN, //v//5 = 1 / //v//7 = 3; HDC2O; D2C2O * Dec. 2005: C3O2, //v//7; 13CC5H; C13CC4H; C213CC3H; C313CC2H; C4C13CCH; C513CH; C6D; HCC13CN, //v//7 = 2; HC13CCN, //v//7 = 2; H13CCCN, //v//7 = 2 * Nov. 2005: C2H3NH2, within 0+ & 0−; C2H3NH2, 0− ← 0+; OCS, //v// = 0; DNC; C6H * Oct. 2005: DCO+; HCO+, //v// = 0; HCO+, //v//2 = 1; D13CO+; DC18O+; CH3CCNC; HC5N, //v//7; corrected small error in predicted frequency uncertainties of c032503.cat and w032503.cat * Sep. 2005: HD, //v// = 0, 1; C; 13C; CF+, //v// = 0, 1; CH2; C4D * Aug. 2005: HC15N, //v// = 0; HC15N, //v//2 = 1; HD2+; H2D+; H2CO; 29SiC4; Si13CC3; SiC13CC2; SiC213CC; SiC313C; 30SiC4 * July 2005: SO2, //v// = 0; SO2, //v//2 = 1; SO2, //v//2 * May 2005: CN, //v// = 0, 1; 13CN; C15N; 13C15N; CH3CCH, //v//10; CH3CCH, //v//9; corrected tags in c026503.cat * April 2005: OCS, //v// = 0; OCS, //v//2 = 1; OC34S; O13CS; OC33S; 18OCS; 17OCS; O13C34S; OC36S; O13C33S; 18OC34S; 18O13CS; corrected tags in c040504.cat, w040504.cat * Mar. 2005: H2C2N; H2C4N; DC3N, //v//7 = 1; H13CCCN, //v//7 = 1; HC13CCN, //v//7 = 1; HCC13CN, //v//7 = 1; HC315N, //v//7 = 1; minor modification of DC3N entry; corrected tags in c016502.cat, w016502.cat, and c050503.cat * Feb. 2005: N2H+; 15NNH+; N15NH+; N2D+; HNCS; separated HNC, //v//2 = 0, 1 and updated //v// = 0 entry * Dec. 2004: H13C13CCN; H13CCCN; HC13CCN; HCC13CN; HCCC15N; HC18O+; HC6N, adjusted HC4N * Nov. 2004: HC5N, //v//11 = 1; HC5N, //v//11 = 2; HC5N, //v//10 = 1; HC5N, //v//11 = 3; HC5N, //v//11 = 4; HC5N, //v//9 = 1 * Oct. 2004: D2CO; HC7N, v = 0; HC7N, //v//15 = 1; HC7N, //v//15 = 2; HC11N; H13CC4N; HC13CC3N; HC213CC2N; HC313CCN; HC413CN; HC515N; adjusted HC9N, HC5N, //v// = 0, and DC5N * Sep. 2004: NHD2; DC3N; DC7N; H13CC6N; HC13CC5N; HC213CC4N; HC313CC3N; HC413CC2N; HC513CCN; HC613CN; HC715N; adjusted HC7N, //v// = 0 * Aug. 2004: HC5N, //v// = 0; DC5N; C3H; C3D; 13CCCH; C13CCH; CC13CH * July 2004: corrected some links. * July 2004: CH2D+; KCl; K37Cl; 41KCl * June 2004: //c//-C3H4; butenyne (C4H4); methylenecyclopropene {(c-C3H2)CH2} * May 2004: HDCS; NH; //gGg'// ethylene glycol; NH2D * Apr. 2004: CCH, //v//2 = 1; (CCH, //v// = 0); 13C33S; 13C36S; CH3C8H; CH3C7N; CH3C9N; (CH3C3N); HD2+ * Mar. 2004: HOC+, //v//2 = 0; HOC+, //v//2 = 1; DOC+; NiCO; (FeCO); NiO; (NiC); (CoC) * Feb. 2004: The catalog files are also available directly as plain ascii files. * Feb. 2004: H13CO+; HC17O+; benzyne; ND * Jan. 2004: H2C3H; CS, //v// = 0 − 2; C34S, //v// = 0, 1; 13CS, //v// = 0, 1; C33S, //v// = 0, 1; C36S; 13C34S * Dec. 2003: C3N, //v// = 0; C3N, //v//5 = 1; 13CCCN; C13CCN; CC13CN; C315N; AlCN; altered AlNC entry * Nov. 2003: //aa//-(C2H5)2O; TiO; H2C2O; H2C13CO; H213CCO; H2C218O; HDC2O; D2C2O * Nov. 2003: indicated detection of species in ISM/CSM in remaining documentations. Please feel free to report errors with references. Corrected some relative terrestrial (!) isotopic abundances. * Oct. 2003: H2CCN * Sep. 2003: //aGg'// ethylene glycol * Aug. 2003: C2N; ONCN; HPO; HCS; HSC * Aug. 2003: The catalog directory is given in html format. * July 2003: //t//-HCOOH; //c//-HCOOH; //t//-H13COOH; TiN; NCO * June 2003: HCS+; H13CS+; DCS+; HC34S+ * Apr. 2003: OH+; HC13N; //t//-HC3O; ScCl; Sc37Cl * Mar. 2003: NH2OH; H2CO; NCS; ScF * Feb. 2003: H13CC13CN; C3, v2; NaF, //v// = 0, 1; KF, //v// = 0, 1; HCN, //v// = 0; HCN, //v//2 = 1 * Jan. 2003: C17O; 13C17O; CH3CCH, //v// = 0; CH3CCH, //v//10 = 1; butenyne (C4H4); HCC13C15N; HC13C13CN * Dec. 2002: CH3OH; 13CH3OH * Nov. 2002: added note to documentation whether species has been observed in ISM or CSM (interstellar or circumstellar medium). * Oct. 2002: NaC; CaC; H2C3S; //l//-H2C3O * Sep. 2002: HCN, //v// = 0; NaCl, //v// = 0, 1; Na37Cl, //v// = 0, 1; CH3C5N; CH3C4H; CH3C6H * June 2002: H2C2S; ND3; //l//-C3H2; //l//-13CCCH2; //l//-C13CCH2; //l//-CC13CH2 * May 2002: //l//-C4H2; //l//-C5H2; //l//-C6H2; //l//-C7H2 * Apr. 2002: CH3CCD; CH2DCCH * Feb. 2002: //l//-H2C3O; CuH; 65CuH; ZnH; 66ZnH; 68ZnH * Jan. 2002: SiCN; SiNC; SiCCH * Dec. 2001: C3S; C13CCS; 13CCCS; C334S; FeCO * Nov. 2001: Added remarks on the existence of more than one spin state where applicable. This may be important at low temperatures. * Nov. 2001: PH2; CCS; C4S; //l//-C7H2 * Oct. 2001: NH2; //s//-H2C=CHOH; //a//-H2C=CHOH * Sep. 2001: CaF; CaCl; CoC; NiC * Aug. 2001: PNO; HPO; PH; H2CP * July 2001: 13CCCCH; C13CCCH; CC13CCH; CCC13CH * June 2001: C18O; HC7N; CH2(OH)CHO; HC9N * May 2001: MgH; HCNH+; HCND+; HC4NC * Feb. 2001: The tags for H2C18O and for 13C18O have changed because of a wrong tag for the former. * Jan. 2001: Each documentation contains a stick diagram of the spectrum at 300 K. * Jan. 2001: KC; NaCH; KCH; NaH; KH; SiCN * Dec. 2000: HC3N, //v//6 = //v//7 = 1; SiO; 29SiO; 30SiO; Si18O; HNC, //v//2 = 0, 1; HC3NH+ * Nov. 2000: SiC4; //l//-SiC3; SiC5; SiC6; MgCCH; NaCCH * Oct. 2000: HC3N, //v// = 0, //v//7 = 1, //v//7 = 2, //v//6 = 1, //v//4 = 1, //v//4 = //v//7 = 1; HC3P; NC2P; H2C2O; CO, //v// = 0 * Sep. 2000: C2H3NH2 (vinylamine); CH2(OH)CHO (glycolaldehyde); C4H, //v// = 0, //v//7 = 1, //v//7 = 20, //v//7 = 22; C4D * Aug. 2000: TiO; FeC * July 2000: 13C18O; H2CN; C8H; C7H; C9H; C10H; * June 2000: MgF; MgCl; CH3C3N * May 2000: 13CCH, C13CH; H213CO; CF; MgNC, //v//2 = 0; //l//-H2C5; //l//-H2C6 * April 2000: CCH; CCD; HCN, //v// = 0; H13CN; H2COH+; //l//-HC4N; 13CO * 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. ===== General Section ===== * Jan. 2007: added Remarks on Selection Rules. ===== Catalog Search Form ===== * Dec. 2018: A new group was defined: ISM, molecules detected in the interstellar medium, but not in circumstellar shells of late-type stars. * Nov. 2018: A bug in the calculation of A values was fixed. This affected transitions with //g//up larger than 999. * Dec. 2015: new molecule group: cyclic species. * Sep. 2011: new molecule group: halogen compounds. * Feb. 2011: new molecule group: complex molecules. * Aug. 2010: new molecule group: atomic fine structure. * Dec. 2009: new molecule group: metal compounds. * Jan. 2007: new molecule group: Anions. * Mar. 2006: new molecule groups: CnH and CnH2. * Oct. 2005: new sorting criterion available: lower state energy; optimized conversion - apparently with minute effects * Aug. 2005: corrected //y//-axis labeling in graphic output. * June 2005: New conversion option //I// → //Sμ//2 is available. Output of value is possible for intensity //I//, //A//-value, or line strength //Sμ//2 instead of decadic logarithm of value (default). This afforded more characters for some columns. * Dec. 2004: Defined several new special groups. * Nov. 2004: Several smaller changes in the appearance. * Sep. 2004: Corrected a bug that temporarily prevented search output from being created. Minor modification of graphical output. * Feb. 2004: New search option available: Searches are possible within a predefined group of species, e.g. only those already observed in the ISM or CSM besides searching for all molecules in the database or specified ones. * Sep. 2003: Added additional output option and removed small bugs. * Aug. 2003: Several changes; including default values for all selections except the molecules. Output as text can be sorted by species (followed by frequency), be frequency, or by intensity. Graphic output has been optimized. * July 2003: Removed bug that caused wrong //A// values if frequencies were requested in units of cm−1 and another one that took the decadic logarithm of lg(//Sμ//2). Minor modification of search page. * Mar. 2001: The //A// value (base 10 logarithm) can be requested instead of the intensity at a certain temperature. * Feb. 2001: A recalculation of the intensities of a search output can be requested for 300 (default), 225, 150, 75, 37.5, 18.75, and 9.375 K. A specific species may be highlighted in a graphic output. * Jan. 2001: added graphic output option: stick diagram of the spectrum in the requested region. * Dec. 2000: added some checks of the input * May 2000: removed a bug that gave no output for some entries * May 2000: added head to the output that gives some information on the catalog entries ===== Partition Functions ===== * Aug. 2003: A new subsection has been added which gives the decadic logarithm of the partition function at selected temperatures. ===== Molecules in Space ===== * Dec. 2023: added isobutene with documentation. * Nov. 2023: added FeC with documentation. * Sep. 2023: added methylium and ethynylbenzene with documentation; updated C10H−, methylamine, and methyl isocyanide. * Aug. 2023: added H2C3N, carbonic acid, and glycolamide with documentations. * Jul. 2023: added //E//-CH2(CH)3CN and H2C3H+ with documentations. * Jun. 2023: added HSO with documentation; updated H2NC and oxirane entries. * May 2023: added HMgC3N, NaCCCN, MgC4H+, MgC3N+, MgC6H+, and MgC5N+. * Mar. 2023: added methylketene with documentation; updated acetaldehyde and methylamine. * Feb. 2023: added C7N− and C10H− with documentations; updated NH2. * Dec. 2022: added SiP, MgC2, and NC4NH+ with documentations. * Nov. 2022: added HC4S and ethynylbutatrienylidene with documentation, updated the oxirane entry. * Oct. 2022: added 2-cyanoindene with documentation. * Aug. 2022: added ethenylidenecyclopentadiene with documentation; updated ethenol documentation. * Jul. 2022: added //c//-C3C2H, CH2CCHC4H, and cyanopropene species with documentations; updated H2CCCHC3N documentation. * Jun. 2022: added //n//- and //i//-propanol with documentations. * May 2022: added PO+; updated NO+ documentation. * Apr. 2022: added ethenediol and tentatively detected 3-hydroxypropenal; added extragalactic PN; updated extragalactic ArH+ documentation. * Mar. 2022: added HCCS+, C5H+, HCCNCH+ and HC7NH+ with documentations; added tentative detection of cyanoheptatriyne; included tentatively detected ethylamine in the table; updated C3H+ and CH3C4H documentations. * Jan. 2022: added extragalactic methyl formate and dimethyl ether with documentations. * Dec. 2021: added HC3O, C5O, vinylamine, 1-, and 2-ethynylcyclopentadiene with documentations; added C3O documentation, updated those of C2O and H2CCNH. * Nov. 2021: added CH2CCCN with documentation. * Oct. 2021: added ethyl isocyanate and galactic as well as extragalactic H2NC detections with documentations; updated H2CN documentation. * Sep. 2021: added MgC5N and MgC6H with documentations; added H2CN documentation. * Aug. 2021: added HNCN, //ortho//-benzyne, and H2CCCHC3N with documentations; updated the dimethyl ether documentation. * Jul. 2021: updated CH+ and SH+ entries. * Jun. 2021: added pentatetraenylidene, thiopropynal, and cyanothioformaldehyde; updated glycolaldehyde, propyne, methylcyanoacetylene, and formyl cyanide entries. * May 2021: added propargyl, butenyne, ethynylallene, thioformic acid, ethynylcyclopropenylidene, cyclopentadiene, indene, and ethanolamine; updated methanethiol, ethanethiol, and ethenol entries. * Apr. 2021: added 1- and 2-cyanocyclopentadiene, 1- and 2-cyanonaphtalene, NCS, HCCS, H2C2S, H2C3S, and C4S; updated 3-butynenitrile, benzonitrile, HC11N, and C5S entries. * Feb. 2021: Added HC3S+, CH3CO+, (2//E//)-penten-4-ynenitrile, and cyanoethynylethene with documentations; updated propenal, propene, and H2CCN entries. * Dec. 2020: updated AlO, TiO, and acetic acid entries. * Nov. 2020: updated HCCNC, HNC3, and urea entries. * Oct. 2020: added HC4NC, 3-butynenitrile, ethynyloxomethylium, and butadiynyliminomethylium with documentations; updated acetamide documentation; modified iminomethylium entry. * Sep. 2020: updated C3N− and C5N− documentations, and modified that of C5S. * Aug. 2020: added iminopropyne, hydroxylamine, and hydroxypropanone with documentations; updated CH3NH2, HC7N, and HC9N documentations. * May 2020: updated HeH+ and CH+ entries. * Apr. 2020: added extragalactic C3N, //l//-C3H+, H2CN, HCOOH, CH3SH, and C2H3CN with documentations. * Mar. 2020: added propyne documentation; updated methoxymethanol and ethyl methyl ether documentations. * Feb. 2020: added extragalactic O2 and updated galactic C3 documentation. * Oct. 2019: added MgC3N, MgC2H, and MgC4H with documentations; corrected and updated links. * Sep. 2019: updated HNCO entry. * July 2019: added CaNC and urea with documentations; updated cyclopropenylidene, formamide, N-methylformamide, methoxymethanol, and ethyl methyl ether documentations. * June 2019: updated methylamine and acetic acid documentations. * Apr. 2019: added HeH+ with documentation; updated ethanal and acetamide documentations. * Mar. 2019: added HONO with documentation, updated methyl formate entry. * Jan. 2019: updated entries for H2CCO, HCOOH, CH3CHO, C2H5OH, cyanomethanimine, HNCCN+, CH3CN and H2NCHO. * Oct. 2018: updated SiO documentation. * Aug. 2018: added documentation for CH3NC, updated those on H2S and CH3CN. * July 2018: added CNCN and potential identification of C5S with documentations. * May 2018: addened NCO with documentation; updated cyanamide, HOCN, and H2NCO+ documentations. * Mar. 2018: added HCS and HSC with documentations; updated H2CO documentation. * Feb. 2018: added thionitrosylium with documentation. * Jan. 2018: added benzonitrile with documentation; added HC5N documentation; updated HC7N documentation. * Dec. 2017: added HC7O, methoxymethanol, and HS2 with documentations; added HCCNC and HNC3 documentations; updated SiS documentation; omitted HC11N from the table. * Nov. 2017: added extragalactic SH+ with documentation; updated extragalactic CH+ documentation. * Oct. 2017: added CH3Cl; SiH3CN; and CH3SiH3 with documentations; updated //c//-C3H; CH3CN; formamide; CH3CHO; C6H2; C7H; and CH3C4H documentations. * Aug. 2017: updated propyl cyanides and extragalactic C2S and H2CNH documentations. * July 2017: added HC5O with documentation; added tentative detection of N-methylformamide with documentation; updated SiS and CH3NCO documentations. * May 2017: updated H3+ documentation. * Mar. 2017: updated titanium oxides documentation. * Jan. 2017: added formaldehyde documentation and updated ethylene oxide, acetone, and propanal entries. * Nov. 2016: added N2 with documentation; updated HCS+, formic acid, ethanol, methyl formate, glycolaldehyde, ethanediol, //n//-propyl cyanide, and HC11N documentations. * Aug. 2016: added PN documentation; updated PO, AlO, and HOCO+ documentations. * July 2016: updated CH3SH documentation. * June 2016: added propylene oxide with documentation; updated HNCO, formamide, and ethyl cyanide documentations. * Apr. 2016: added extragalactic CF+ with documentation, updated hydroxymethylium documentation. * Mar. 2016: added methylamine documentation; updated CH3NCO documentation. * Feb. 2016: added documentation on //l//-C3H2 and on //l//-C4H2; updated propynal, cyclopropenone, and methoxy documentations. * Dec. 2015: updated H3+, SH+, and SH entries. * Oct. 2015: added CH3NCO, C60+, and extragalactic ArH+; updated ethyl methyl ether. * July 2015: added NCCNH+ with documentation; added HCNH+ and HC3NH+ documentations. * June 2015: added Si2C with documentation. * May 2015: added HCCO with documentation; added documentations for HCO and //c//-SiC3; updated propene and CF+ entries. * Apr. 2015: updated ethanediol entry. * Feb. 2015: relegated tentatively detected ethyl methyl ether to undetected molecule. * Dec. 2014: Added SiO documentation. * Nov. 2014: Updated dimethyl ether and vinyl cyanide documentations. * Oct. 2014: Added //i//-propyl cyanide, cyanomethylidyne, and nitrosylium (tentative) with documentations. * July 2014: Added extragalactic NH2 with documentation; updated documentations for galactic PH3 and SH+. * June 2014: Added C2H5SH and extragalactic H2Cl+ with documentations; updated ArH+ documentation. * Feb. 2014: Updated documentation for //l//-C3H+. * Jan. 2014: Combined H3+ entry with that for H2D+ and HD2+ for consistency reasons and updated the entry. Also updated were documentations on HNC, including extragalactic, and acetaldehyde. * Dec. 2013: added ArH+ with documentation; updated OH+ and H2O+ documentations. * Nov. 2013: added H2NCO+ with documentation; updated HF and HCl documentations. * Sep. 2013: added HMgNC with documentation. * July 2013: added methyl acetate with documentation; updated ethyl formate and C3H+ documentations; created separate propyl cyanide documentation. * June 2013: added ammonium with documentation; updated //c//-SiC2 and extragalactic fullerenes entries. * May 2013: updated dimethyl ether, //c//-C3H2, and C3H+ documentations. * Apr. 2013: added Extragalactic formamide and HCS+; updated Extragalactic HF, OH+, H2O+, and H3O+ documentations. * Mar. 2013: added TiO and TiO2 with documentations. * Feb. 2013: added ethanimine and cyanomethanimine with documentations; updated formamide documentation. * Nov. 2012: added C3H+ with documentation; added documentation for HCO+; updated documentations on methyl formate and CF+. * Oct. 2012: added HNCNH and CH3O with documentations. * Sep. 2012: added documentations for SiC, C2S, and C3S; updated documentation for glycolaldehyde; provided additional information for CCO. * Aug. 2012: added documentations for C6H2, CH3C3N, and for oxirane, //c//-C2H4O; corrected documentation for formamide; updated documentations for methyl formate and for CH3C5N. * July 2012: updated documentations for HF, HCOOH, ethanol, dimethyl ether, methyl formate, glycolaldehyde, ethylene glycol. * May 2012: added SH, HCl+, and HO2 with documentations, updated O2 documentation; added Extragalactic SO+, //l//-C3H, //l//-C3H2, H2CCN, H2CCO, C4H, CH3NH2, CH3CHO, mono-, di-, triacetylene, and benzene with documentations. * Apr. 2012: added HNC, HC7N, and vinyl alcohol documentations; updated and extended the one for glycolaldehyde. * Mar. 2012: added further details for HNCO, HOCO+, H2CNH, H2C2O, CH3CHO, and C2H3CN, and H2Cl+. * Jan. 2012: added C2H documentation; updated C60 documentation (both Galactic as well as Extragalactic); provided additional information in HC2N / HC4N documentation. * Dec. 2011: added cyanamide documentation; updated acetamide documentation. * Sep. 2011: added documentations for //c//-C3H and //l//-C3H; updated HCS+. * Aug. 2011: added documentation for NS; updated HCl, HF, and O2. * July 2011: added documentation for H2CS and updated the one for H2CCN. * June 2011: added H2O2; updated HCN, polyacetylenes, and C60; added extragalactic C60. * May 2011: added FeCN; updated H3O+. * Apr. 2011: added KCN; added documentations for MgNC and MgCN; updated documentations for CH+, NH, and methyl formate. * Mar. 2011: added documentations for SiC2 and //c//-C3H2. * Jan. 2011: added documentation for acetylene, updated and modified those for di- and triacetylene, and modified the one for benzene. * Dec. 2010: added SH+ and Extragalactic HF; updated interstellar HF. * Oct. 2010: added H2Cl+, C60, and C70 as well as Extragalactic NH, OH+, and H2O+; added documentations for CH3SH and dimethyl ether and updated the one for C2H5CN. * Aug. 2010: added documentations for C3, C5, and C4Si; updated OH+. * July 2010: added OH+, H2O+, CN−; updated Extragalactic CO+ and HC3N. * May 2010: updated HOCN documentation. Omitted SH because the detection refers to the stellar atmosphere. * Mar. 2010: added AlOH. * Jan. 2010: added documentation for CH3CN and updated documentation for NH3. * Nov. 2009: added documentations for ethanol and ethanal. * Sep. 2009: added HSCN; added documentation for HNCS. * June 2009: updated documentation for HC9N. * May 2009: added HOCN; added documentation for HNCO, HC(O)NH2, and CO+; updated documentation for formic acid. * Apr. 2009: added ethyl formate and //n//-propyl cyanide as well as links to a MPIfR press release; updated aminoacetonitrile. * Mar. 2009: added AlO. * Feb. 2009: added HCNO. * Oct. 2008: added C5N−; added H2S and SiH4 documentations, modified the one for HC11N, and updated the one for C6H. * June 2008: added tentative detection of PH3; updated SiS and vinyl cyanide documentations. * Apr. 2008: added C3N−. * Mar. 2008: added HC(O)CN; added HOCO+ documentation. * Jan. 2008: added extragalactic H3O+; added aminoacetonitrile; added H3O+ documentation; updated entries for C6H− and C4H−. * Aug. 2007: added C3C6 and PO. * July 2007: added C8H−. * May 2007: added C4H− and HCP; added documentation to C4H, C5H, C7H, C8H, and to CP. * Apr. 2007: added documentation to H2O and NaCN; updated ethyl cyanide and O2 documentations. * Mar. 2007: added documentations to HCl, HF, NH, NH2; updated HCN and ethyl cyanide documentations; modified CH+ documentation. * Feb. 2007: added documentation to SiS and methyl formate; modified documentation to formic acid. * Nov. 2006: added C6H- and documentation to C6H. * Oct. 2006: added documentation to H2COH+. * June 2006: added H2CCNH and SiH with comments; added comments to H2CCO; H2CNH; updated NH3 * May 2006: modified placement of glycine and added comments on not-yet-detection of dihydroxyacetone. * Apr. 2006: added 1,3,5-heptatriyne and acetamide * Feb. 2006: added cyanoallene, cyclopropenone, and ethyl methyl ether; added documentations to SiN, CH2, HC9N, HC11N, and acetone; updated the ones for O2, CH+, and glycolaldehyde * Dec. 2005: updated ethylene glycol entry * Sep. 2005: a new table is available. It contains molecules detected outside of our galaxis. Links with some basic information on the detection is given for all species. * Sep. 2005, ISM/CSS: added documentations to CF+, CH3C5N, and AlNC. * Dec. 2004: erased CH2D+ because no information is available in the literature; added information on NH3 and updated glycine. * Nov. 2004: added SiNC and l-HC4N as well as information on these and related SiCN and HCCN species. * Sep. 2004: updated information on glycolaldehyde * July 2004: added propenal, propanal, information on these species and on propynal, methyldiacetylene, and ethyl cyanide * May 2004: updated information on ethylene glycol * Apr. 2004: added information on HCN and H2D+/HD2+ * Dec. 2003: added information on CCO, C2H3CN, C5N, H2CCN, HCS+, O2 * Oct. 2003: updated glycine comment and added comments to HC4H, HC6H, and benzene. * Sep. 2003: added glycine and comments to some entries. * Jan. 2001: A new section has been added to the Cologne Database for Molecular Spectroscopy which lists the known molecules in space. Currently, "only" this list is presented. Links to the catalog entries and to some basic background information is intended. ===== Fitting Spectra ===== * Dec. 2020: added aminoacetonitrile example. * Nov. 2020: added hydroxymethyl data. * June 2017: added NO files with FTIR data. * Apr. 2016: added ethanethiol files. * Jan. 2016: updated OH+. * Apr. 2015: added NO files. * May 2012: added updated //c//-C3H2 files. * Feb. 2012: added SF2. * Mar. 2011: added //c//-C3H2. * Nov. 2010: added CH2 files; moved D2O files from data section to this section. * Aug. 2010: updated HNC, //v//2 = 0 & 1 files. * June 2010: updated and corrected C3H files and documentation according to the catalog entry from March 2009. * Jan. 2010: added O2, X 3Σ−, //v// = 0; CH3CN, //v// = 0; and FSO3. Documentations will follow later. * Oct. 2008: added NF2 files with some documentation. * Aug. 2008: updated files are available for CH3CCH, //v// = 0, in a separate folder. The remaining files will be updated in the near future. * May 2007: new source codes are available. They have been tested to some extent. * Feb. 2007: added SiS. * Jan. 2007: added D2O. * Sep. 2006: updated CH * Sep. 2006: new source codes are available. They have been tested to some extent. * June 2006: added HCOCN * May 2006: new source codes are available. They have been tested to some extent. * Nov. 2005: modified vinylamine files and added documentation. * Aug. 2005: added OH+ files; updated HD2+ files; * Jan. 2005: added CO files with line uncertainties multiplied by 100. * Aug. 2004: updated C3H * July 2004: added KCl * May 2004: added NH; //aGg'// ethylene glycol; DCN * Apr. 2004: added HD2+ example; new source codes are available * Mar. 2004: added NiO example; modified HCP example; added HNC example * Sep. 2001: added Ar⋅⋅⋅SO2 example; new versions of the programs are available; * July 2001: new versions of the programs are available * Mar. 2001: added ClNO2 example * Feb. 2001: some modifications to the documentation for SPFIT/SPCAT including recent alterations made by HMP to the JPL version; includes corrections in the explanation of the coding of the quantum numbers * Jan. 2001: added FClO3 example * June − Aug. 2000: added some examples * June 2000: some basic information concerning the examples is given on the **examples** page ===== Cologne Spectroscopy Data ===== * Sep. 2023: added new H2CS files with H2C2S. * Jun. 2023: added CCl+ files. * May 2023: added CH3NHCH3 files. * Apr. 2023: added //c//-CD2CH2O files. * Sep. 2022: added //c//-C2H3DO files. * Mar. 2022: added CD3OH, oxirane, and //gauche//-propanal files. * Feb. 2021: added cyclopropenone files. * Sep. 2020: the new //n//-propyl cyanide files are now available. * Aug. 2020: HC5N and HC7N files are available with catalog files and others. * Apr. 2020: Propyne files are available with catalog files and others. * Dec. 2019: Added aminomethylium files. * Nov. 2019: Added 13CH3SH files. * Aug. 2019: Added CH3SH files. * June 2019: Added CH334SH files. * May 2019: Added acetic acid files. * Mar. 2019: Added cyanamide and vinyl mercaptan files as well as those of the //gauche//-conformers of 2-cyanobutane. Updated CDMS links in several arXiv versions of manuscripts and made some available newly. The same applies to the Catalog Archive. * Jan. 2019: Added CH3SD and H2CS files. * Aug. 2018: Added 3-methylbutyronitrile files. * Feb. 2018: Added CHD2+ files. * Jan. 2018: Added extended HD2+ files (plus one line, basis of the new entry) as well as alternative fits. Added also propanal files. * Sep. 2017: Added 2-Cyano-//anti//-butane files. * Mar. 2017: The new H2D+ and HD2+ files are available. * Feb. 2017: added H2C17O; updated H2C18O and H2CO. * Dec. 2016: added //n//-C3H7CN files. * Oct. 2016: added CH3CN, //v//8 ≤ 2 as well as //v//8 = 1 for 13C and 15N singly substituted species of CH3CN. * Sep. 2016: added new CH2D+ files. * Aug. 2015: added deuterated ethanol files. * May 2015: added dimethyl ether files. * Aug. 2014: added //aG'g//-propanediol; //gG'a//-propanediol; //g'G'g//-propanediol. * Feb. 2014: added SiO. * Oct. 2013: added CO+ and CH2D+. * Apr. 2013: added, updated, and corrected files in the HCP section. * Aug. 2012: added files for 13C isotopomers of ethanol (//anti// conformers). * Mar. 2012: added //n//-butyl cyanide files. * June 2011: added TiO2 files. * May 2011: added NHD2 files with several auxiliary files. * Mar. 2011: added //iso//-propyl cyanide files. * June 2010: updated CCH files. * Feb. 2010: added O2, a 1Δ. * Jan. 2010: added O2, X 3Σ−, //v// = 0; O18O; 18O2. * Dec. 2009: added data for ground states of methyl cyanide isotopologs. * Aug. 2009: added diethyl ether. * Apr. 2009: added vinyl cyanide. * Apr. 2008: added SiS. * Feb. 2008: added H2CS. * July 2005: added HC15N and new SO2 files. * July 2004: added butenyne, C4H4; linked KCl; * May 2004: linked NH; added DCN isotopomers; linked //aGg'// ethylene glycol; added //gGg'// ethylene glycol; * Apr. 2004: linked CCH * Mar. 2004: linked HNC * June 2003: added HCS+ isotopomers * Mar. 2003: NH2OH * Feb. 2003: H13CC13CN; C3, v2; HCN, //v// = 0; HCN, //v//2 = 1 * Jan. 2003: C17O; 13C17O; CH3CCH, //v// = 0; CH3CCH, //v//10 = 1; butenyne (C4H4); HCC13C15N; HC13C13CN * Sep. 2002: updated HCN, //v// = 0; * Nov. 2001: new and updated entries are available, among them NH2 and PH2. * July 2000: updated available entries