TROVE https://github.com/Trovemaster/TROVE, version j-trove2609.x
There were four step inputs into TROVE, used to determine the line list, potential energy surface (PES) and dipole moment surface (DMS) for 75As-1H3:
1) ash3_TROVE_step1.inp - computes and saves Hamiltonian matrix and dipole matrix. Computes vibrational eigenfunctions
2) ash3_TROVE_step2.inp - converts to J=0 representation
3) ash3_TROVE_step3.inp - computes rovibrational wavefunctions and eigenvalues for different Js. Input file is for J=0.
In BASIS section 'Jrot 0' should be changed to 'Jrot 1' to compute J=1 values, 'Jrot 2' for J=2 etc.
4) ash3_TROVE_step4.inp - computes intensities for J pairs. Sample file is for transitions between J=0 and J=1.
In INTENSITIES section change 'J 0,1' to 'J 1,2' to compute transitions for J pair J=1,2
The PES and DMS are those reported in Coles et al. 2019 "A varitionally computed room temperature line list for AsH3", and are available in the publication's supplementary material.