Code used:
EVEREST (Mitrushchenkov A. O., 2012, J. Chem. Phys., 136, 024108)

ZPE  = 2780.676 cm-1

The model file is a part of the supplementary material for  "ExoMol line list - LI. Molecular line list for lithium hydroxide (LiOH)"

Authors: A. Owens, Sam O. M. Wright, Yakiv Pavlenko, A. Mitrushchenkov, Jacek Koput, S. N. Yurchenko, and J. Tennyson

Corresponding author emails: alec.owens.13@ucl.ac.uk, s.yurchenko@ucl.ac.uk, j.tennyson@ucl.ac.uk

It inludes: 

1. xyz_lioh_pes_koput_cm.f90 : Source fortran code to construct potential energy surface (PES) of LiOH.
Program will print potential energy (in cm-1) at user-defined geometries for input surface.

2. xyz_dms_mu_p.f90 : Source fortran code to construct mu_p component of dipole moment surface (DMS) of LiOH.
Program will print dipole moment (in Debye) at user-defined geometries for input surface.

3. xyz_dms_mu_q.f90 : Source fortran code to construct mu_q component of dipole moment surface (DMS) of LiOH.
Program will print dipole moment (in Debye) at user-defined geometries for input surface.

4. lioh_X1SIGMA+_koput_cm.inp : Input file containing ground state X1Sigma+ PES to be used with executable of xyz_lioh_pes_koput_cm.f90.

Note: The order of the geometry specification in the input file (and all other input files) after the parameter set is:

r(Li-O)/Angstrom r(O-H)/Angstrom alpha(Li-O-H)/deg

5. lioh_X1SIGMA+_mu_p.inp : Input file containing mu_p z-parallel component of DMS to be used with executable of xyz_dms_mu_p.f90.

6. lioh_X1SIGMA+_mu_q.inp : Input file containing mu_q x-perpendicular component of DMS to be used with executable of xyz_dms_mu_q.f90.