Catalogs

  • The VASTEL Database (last update 18. December 2020): PLEASEREADME. The ortho and para forms (and A/E forms) have been separated for each of the following species: H2D+, D2H+, NH3, H2O, NH2D, D2O, H2CO, H2-13CO, CH3OH, D2CO, H2C-18O, H2S, D2S, c-C3H2, CH3CCH, HCOOCH3, CH3CHO, CH3CN, H2CS, H2C34S, D2CS, CH2, NH3, NH2, 15NH2. The catdir.cat file for this database gives the function partitions for each species, and list the molecules with their associated tags. I adopted the same tag after separation than the original tag from JPL or CDMS, expect a 8 (para or E) or 9 (ortho or A) value in the penultimate number of the tag. For example, H2S can be found in both JPL (Tag=34002) and CDMS (Tag=34502) catalogs. After the ortho and para separation I get 4 files: 34082 (para-H2S, original data from JPL), 34092 (ortho-H2S, original data from JPL), 34582 (para-H2S, original data from CDMS), 34592 (ortho-H2S, original data from CDMS). All the files can be found in the Vastel database and in the table below depending on the version of the database you are using. If not yet in the database provided you can download the .cat files, and the catdir.cat files in the same directory. Then click on Database, Database creation, add database, Type=File, select folder when you downloaded your .cat file, JPL format, click on Correct elow with the min of elow (because the ortho and para of the same species do not have the same elow), Validate and Create and use database. Or simply just ask Charlotte Vastel to provide you an updated database.
c004581.cat p-H2D+ , original data from CDMS
c004591.cat o-H2D+ , original data from CDMS
c005581.cat p-D2H+ , original data from CDMS
c005591.cat o-D2H+ , original data from CDMS
c014581.cat p-CH2 , original data from CDMS
c014591.cat o-CH2 , original data from CDMS
c016581.cat p-NH2 , original data from CDMS
c016591.cat o-NH2 , original data from CDMS
c017082.cat p-NH3 , original data from JPL
c017092.cat o-NH3 , original data from JPL
c017182.cat p-NH3-hfs, original data from
c017192.cat o-NH3-hfs, original data from
c017584.cat p-15NH2 , original data from CDMS
c017594.cat o-15NH2 , original data from CDMS
c018084.cat p-NH2D , original data from JPL
c018094.cat o-NH2D , original data from JPL
c018083.cat p-H2O , original data from JPL
c018093.cat o-H2O , original data from JPL
c018581.cat p-NH2D , original data from CDMS
c018591.cat o-NH2D , original data from CDMS
c020081.cat p-D2O , original data from JPL
c020091.cat o-D2O , original data from JPL
c020582.cat p-D2O , original data from CDMS
c020592.cat o-D2O , original data from CDMS
c030581.cat p-H2CO , original data from CDMS
c030591.cat o-H2CO , original data from CDMS
c031583.cat p-H2-13CO, original data from CDMS
c031593.cat o-H2-13CO, original data from CDMS
c032083.cat E-CH3OH , original data from JPL
c032093.cat A-CH3OH , original data from JPL
c032583.cat p-H2C18O , original data from CDMS
c032593.cat o-H2C18O , original data from CDMS
c032582.cat p-D2CO , original data from CDMS
c032592.cat o-D2CO , original data from CDMS
c034082.cat p-H2S , original data from JPL
c034092.cat o-H2S , original data from JPL
c034582.cat p-H2S , original data from CDMS
c034592.cat o-H2S , original data from CDMS
c036082.cat p-D2S , original data from JPL
c036092.cat o-D2S , original data from JPL
c036583.cat p-D2S , original data from CDMS
c036593.cat o-D2S , original data from CDMS
c038092.cat o-c-C3H2 , original data from JPL
c038082.cat p-c-C3H2 , original data from JPL
c038592.cat o-c-C3H2 , original data from CDMS
c038582.cat p-c-C3H2 , original data from CDMS
c040582.cat a-CH3CCH , original data from CDMS
c040592.cat e-CH3CCH , original data from CDMS
c041585.cat E-CH3CN , original data from CDMS
c041595.cat A-CH3CN , original data from CDMS
c044083.cat A-CH3CHO , original data from JPL
c044093.cat E-CH3CHO , original data from JPL
c046589.cat p-H2CS , original data from CDMS
c046599.cat o-H2CS , original data from CDMS
c048588.cat p-H2C34S , original data from CDMS
c048598.cat o-H2C34S , original data from CDMS
c048587.cat p-D2CS , original data from CDMS
c048597.cat o-D2CS , original data from CDMS
c060083.cat e-HCOOCH3, original data from JPL
c060093.cat a-HCOOCH3, original data from JPL