A computed line list for the H2D+ molecular ion. T. Sochi, J. Tennyson, Mon. Not. R. Astron. Soc. 405, 2345-2350 (2010) The line list is split into two files in the ExoMol format: one gives the energy levels identified by an integer ID, the other gives the transition Einstein A-coefficient and refers to the upper and lower states through their IDs. Byte-by-byte Description of file: 1H2-2H_p__ST.states ------------------------------------------------------------------------------- Bytes Format Units Label Explanations ------------------------------------------------------------------------------- 1 - 12 I12 --- Level [1,33330] Index of the level 14 - 25 F12.6 cm-1 E [0,18500] Energy of the level 27 - 32 I6 --- gtot [1,369] Total degeneracy(1) 34 - 40 I7 --- J [0,20] Total angular momentum quanum number 42 A1 --- par [-,+] Total parity 44 - 45 I1 --- Sym [1,4] Symmetry block number(2) 47 - 56 I10 --- N Reference within symmetry block 58 A1 --- ns-isomer [o,p] label identifying nuclear spin isomer 60 - 61 A2 --- Gamma_rve [A1,A2,B1,B2] total symmetry species 63 - 64 I2 --- v1 [-2,2] v1 symmetric stretch quantum number 66 - 67 I2 --- v2 [-2,3] v2 bend quantum number 69 - 70 I2 --- v3 [-2,2] v3 asymmetric stretch quantum number 72 - 73 I2 --- Ka [-2,16] Ka rotational quantum number 75 - 76 I2 --- Kc [-2,20] Kc rotational quantum number ------------------------------------------------------------------------------- (1) Total degeneracy including nuclear spin factor: 3 for para-H2D+ and 9 for ortho-H2D+ (2) Table of symmetry block indices: ---------------------------------------------------------- J parity (even/odd) e e e e o o o o vibrational basis symmetry (q) e e o o e e o o rotational parity (p) e o e o e o e o ortho/para state (O/P) P O O P O P P O Symmetry Block number (code) 1 3 4 2 3 1 2 4 ---------------------------------------------------------- Byte-by-byte Description of file: 1H2-2H_p__ST.trans ------------------------------------------------------------------------------- Bytes Format Units Label Explanations ------------------------------------------------------------------------------- i' I12 --- upper state ID i" I12 --- lower state ID A ES10.4 s-1 Einstein A-factor ------------------------------------------------------------------------------- References ---------- [1] T. Sochi, J. Tennyson, "A computed line list for the H2D+ molecular ion.", Mon. Not. R. Astron. Soc. 405, 2345-2350 (2010).