Highly Accurate Potential Energy Surface and Dipole Moment Surface for Nitrous Oxide and Ames-296K Infrared Line Lists for 14N216O and Minor Isotopologues

First generation data product and IR line lists for Nitrous Oxide (N₂O), including an isotopologue-independent ab initio PES of Nitrous Oxide refined with selected HITRAN energy levels below 7000 cm^-1 and experimental G_V at higher energies, an ab initio DMS fitted with CCSD(T)/aug-cc-pV(T,Q,5)Z dipoles computed up to 20,000 cm^-1 above potential minimum and extrapolated to one-electron basis set limit, room temperature IR line lists for 12 N₂O isotopologues of ^14/15N and ^16/17/18O, and a combination "natural" list with terrestrial abundances.  This project is funded by NASA Grant 18-APRA18-0013 through NASA/SETI Institute Co-operative Agreement 80NSSC20K1358.  See https://huang.seti.org/N2O/n2o.html for data format and abundance information.

1. Ames-0 and Ames-1 PES subroutine & coefficient files, and PES refinement related files including reference energy level list and refinement output.
2. J=0-150 energy level lists of ¹⁴N₂¹⁶O and 11 minor isotopologues, computed on the Ames-1 PES. The .zip file contains 12 compressed .tgz files.
3.  Ames-1 DMS subroutine & coefficient files, and ab initio data;
4.  Ames-296K IR line lists for ¹⁴N₂¹⁶O and 11 minor isotopologues, each with 100% abundance. Computed using Ames-1 DMS and rovibrational wavefunctions for those energy levels acquired on Ames-1 PES; 12 .tgz files combined into one .zip file
5.  A "natural" Ames-296K IR line list for N₂O, including transitions from all 12 isotopologues with their 296K intensities scaled by terrestrial abundances. Computed on the Ames-1 PES and DMS. 
6. ORIGIN project file for related analysis and figures. Use Origin Viewer to open on PC and MAC, https://www.originlab.com/viewer/dl.aspx  

Line List Data Format: (N₂O is the 4^th molecules in HITRAN, we use 40+iso#, e.g., 41 - 446; 42 - 456; 43 - 546; 44 - 448; 45 - 447; ...)

iso  wavenumber S(Ames-2021) A21(Ames-2021)  E"(Ames-1)  vtet_qn'  vtet_qn"    JPS' #root'   JPS" #root" J'  J" wang_symmetry
43  2540.050758 2.696686E-31 2.829145E+00  4329.863425   0  0  3   1  0  0   50 2 2   109  49 1 2    24  50  49 e e 

Table 1. Abundances and number of IR lines of 12 N₂O isotopologues in the Ames-296K natural IR line list for N₂O up to 15,000 cm^-1 and intensity down to 10^-31 cm/molecule.  Their wavenumber range f_max (in cm^-1), intensity max S_296K^max, and intensity sum are also included for each isotopologue. Intensities are scaled by corresponding abundances, in cm^-1/molecule.cm^-2.