Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
When I open a .log file generated with GAMESS to see the calculated MO's, the energy of the MO's is displayed in the Orbitals sidebar in eV's. However, the energies displayed are the Hartree energies multiplied by 27.2107^2, rather than by 27.2107.
When I open a .log file generated with GAMESS to see the calculated MO's, the energy of the MO's is displayed in the Orbitals sidebar in eV's. However, the energies displayed are the Hartree energies multiplied by 27.2107^2, rather than by 27.2107.
Reported by: *anonymous