Trove, version j-trove2509.x (2022)
The startting input file for TROVE contains potential energy surface (PES) and dipole moment surface (DMS) parameters for H2CS. The checkpoint file kinetic.chk contains the EKE kinetic energy expansoin parameters in curvilinear coordinates.
Implementation notes:
New spectroscopically determined potential energy surface and an ab initio dipole moment surface were used.
Zero-point-energy is 5344.18 cm-1.