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Archive

Aug. 2003: the layout of the page has been changed. In addition, several changes and improvements have been made. Details are given below.

  • June 2018: corrected files with HFS for isotopic CH3CN in v8 = 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 v8 = 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, v24 = 1; s-propanal, v23 = 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, v2 = 1; HC15N, v2 = 2; HC15N, v2 = 3; HC15N, v3 = 1; HC15N, v1 = 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, v11 + v18 = 1; H2NCH2CN, v17 = 1; a new compilation is available for CH3OH, vt = 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, v30 = 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, v30 = 1; a-n-C3H7CN, v30 = 1; g-n-C3H7CN, v29 = 1; a-n-C3H7CN, v18 = 1; g-n-C3H7CN, v30 = 2; a-n-C3H7CN, v30 = 2; g-n-C3H7CN, v28 = 1; a-n-C3H7CN, v29 = 1.
  • Nov. 2016: C2H5OH, v = 0; CH3CN, v = 0; CH3CN, v8 = 1; CH3CN, v8 = 2; CH3CN, v8; CH3CN, 2v8v8; CH3CN, 2v8.
  • Oct. 2016: ScO; oxetane; diketene; C2H5CN, v20 = 1-A; C2H5CN, v12 = 1-A.
  • Sep. 2016: CH3CNO; CH2D+.
  • Aug. 2016: CH3C15N, v8 = 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, v8 = 1; CH313CN, v8 = 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, v3 = 1; SiC2, v3 = 2; SiC2, v3 = 3 (extrapolation); SiC2, v3 = 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, v2 = 1; H13CN, v2 = 2; H13CN, v2 = 3; H13CN, v3 = 1; H13CN, v1 = 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, v5 = 1.
  • May 2013: PH3; TiO; reevaluated HN13C.
  • Apr. 2013: malononitrile; formamide, v = 0; formamide, v12 = 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, v11 = 5; HC3N, v4 = 1; HC3N, v7 = 4 / v5 = v7 = 1; HC3N, v6 = 2; corrected and applied transition dipole moment for HCCCN, v1 band.
  • Mar. 2012: AA-n-C4H9CN, GA-n-C4H9CN, AG-n-C4H9CN, HC5N, v10 = v11 = 1; modified state description of v6 = v7 = 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 <strong>c</strong>-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, v3 band; HCCCN, v2 band; HCCCN, v1 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, v6 = v7 = 1; H13CCCN, v6 = v7 = 1; HC13CCN, v6 = v7 = 1; HCC13CN, v6 = v7 = 1; HCC13CN, v4 = 1; HCC13CN, v4 = v7 = 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, v2 = 1; CCH, v2 = 2; CCH, v3 = 1; CCH, v2 FIR band; CCH, v3 IR band; CCH, v2 + v3 IR band; CCH, 5v2 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, v5 = 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, v7 = 1; D13CCCN; DC13CCN; DCC13CN; DC315N; CH3D.
  • Feb. 2008: H2CS.
  • Jan. 2008: H2DO+; HCCD; SiC2, v = 0; SiC2, v3 = 1; SiC2, v3 = 2; Si13CC; 29SiC2; 30SiC2; H2NCH2CN.
  • Dec. 2007: HCNH+; H13CNH+; NeH+; NeD+; 22NeH+.
  • Nov. 2007: corrected gup values and a small typographical error in the D2O entry.
  • Oct. 2007: HCO+, v = 0; HCO+, v2 = 1; H13CO+; DCO+; D13CO+; HC3N, v3 = 1; HC3N, v2 = 1; H3O+.
  • Sep. 2007: ArH+; ArD+; 36ArH+.
  • Aug. 2007: SiC2, v = 0; Si13CC; 29SiC2; 30SiC2; SiC2, v3 = 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, v2 = 1; HCN, v2 = 2; HCN, v2 = 3; HCN, v3 = 1; HCN, v1 = 1; C2H2, v5v4.
  • 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 <a href=“/cdms/catalog/main_catalog.shtml#description”>brief description of the format of the catalog entries</a> in the <a href=“/cdms/catalog/main_catalog.shtml”>general section</a> of the CDMS catalog.
  • Dec. 2006: H13C15N, v = 0; H13C15N, v2 = 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, v2 = 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, v2 = 1; D13CN; corrected QNFMT in c017501.cat, w017501.cat., c027501.cat, w027501.cat, c027503.cat, w027503.cat
  • Mar. 2006: C2H2, v5v4; H2CCCHCN; Ga-n-C3H7OH; C5H; l-13CC3H2; l-C13CC2H2; l-C213CCH2; l-C313CH2; corrected entry for C3, v2 band
  • Feb. 2006: H2CS; D2CS; NaC; H2C34S; H213CS; H2C33S; N2D+; N2H+, v = 0; N2H+, v2 = 1
  • Jan. 2006: H13CCCN, v6 = 1; HC13CCN, v6 = 1; HCC13CN, v6 = 1; H13CCCN, v5 = 1 / v7 = 3; HC13CCN, v5 = 1 / v7 = 3; HCC13CN, v5 = 1 / v7 = 3; HDC2O; D2C2O
  • Dec. 2005: C3O2, v7; 13CC5H; C13CC4H; C213CC3H; C313CC2H; C4C13CCH; C513CH; C6D; HCC13CN, v7 = 2; HC13CCN, v7 = 2; H13CCCN, v7 = 2
  • Nov. 2005: C2H3NH2, within 0+ & 0; C2H3NH2, 0 ← 0+; OCS, v = 0; DNC; C6H
  • Oct. 2005: DCO+; HCO+, v = 0; HCO+, v2 = 1; D13CO+; DC18O+; CH3CCNC; HC5N, v7; 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, v2 = 1; HD2+; H2D+; H2CO; 29SiC4; Si13CC3; SiC13CC2; SiC213CC; SiC313C; 30SiC4
  • July 2005: SO2, v = 0; SO2, v2 = 1; SO2, v2
  • May 2005: CN, v = 0, 1; 13CN; C15N; 13C15N; CH3CCH, v10; CH3CCH, v9; corrected tags in c026503.cat
  • April 2005: OCS, v = 0; OCS, v2 = 1; OC34S; O13CS; OC33S; 18OCS; 17OCS; O13C34S; OC36S; O13C33S; 18OC34S; 18O13CS; corrected tags in c040504.cat, w040504.cat
  • Mar. 2005: H2C2N; H2C4N; DC3N, v7 = 1; H13CCCN, v7 = 1; HC13CCN, v7 = 1; HCC13CN, v7 = 1; HC315N, v7 = 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, v2 = 0, 1 and updated v = 0 entry
  • Dec. 2004: H13C13CCN; H13CCCN; HC13CCN; HCC13CN; HCCC15N; HC18O+; HC6N, adjusted HC4N
  • Nov. 2004: HC5N, v11 = 1; HC5N, v11 = 2; HC5N, v10 = 1; HC5N, v11 = 3; HC5N, v11 = 4; HC5N, v9 = 1
  • Oct. 2004: D2CO; HC7N, v = 0; HC7N, v15 = 1; HC7N, v15 = 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 {(<strong>c-</strong>C3H2)CH2}
  • May 2004: HDCS; NH; gGg' ethylene glycol; NH2D
  • Apr. 2004: CCH, v2 = 1; (CCH, v = 0); 13C33S; 13C36S; CH3C8H; CH3C7N; CH3C9N; (CH3C3N); HD2+
  • Mar. 2004: HOC+, v2 = 0; HOC+, v2 = 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, v5 = 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, v2 = 1
  • Jan. 2003: C17O; 13C17O; CH3CCH, v = 0; CH3CCH, v10 = 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, v6 = v7 = 1; SiO; 29SiO; 30SiO; Si18O; HNC, v2 = 0, 1; HC3NH+
  • Nov. 2000: SiC4; l-SiC3; SiC5; SiC6; MgCCH; NaCCH
  • Oct. 2000: HC3N, v = 0, v7 = 1, v7 = 2, v6 = 1, v4 = 1, v4 = v7 = 1; HC3P; NC2P; H2C2O; CO, v = 0
  • Sep. 2000: C2H3NH2 (vinylamine); CH2(OH)CHO (glycolaldehyde); C4H, v = 0, v7 = 1, v7 = 20, v7 = 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, v2 = 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.
  • Jan. 2007: added Remarks on Selection Rules.
  • 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 &rarr; S&micro;2 is available. Output of value is possible for intensity I, A-value, or line strength S&micro;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(S&micro;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
  • Aug. 2003: A new subsection has been added which gives the decadic logarithm of the partition function at selected temperatures.
  • 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, &quot;only&quot; this list is presented. Links to the catalog entries and to some basic background information is intended.
  • 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, v2 = 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 <strong>examples</strong> page
  • 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, v8 ≤ 2 as well as v8 = 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
  • 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, v2 = 1
  • Jan. 2003: C17O; 13C17O; CH3CCH, v = 0; CH3CCH, v10 = 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
  • archive.1551872612.txt.gz
  • Last modified: 2019/03/06 12:43
  • by mueller