Dalton
A molecular quantum-chemistry program emphasizing properties and response theory, with HF, DFT, multiconfigurational and correlated methods.
Where it fits
Electric and magnetic molecular properties and spectroscopic response calculations.
Limits and practical considerations
Property availability depends on the chosen wavefunction; consult the matching release manual.
Licensing and access
Open source under LGPL; check the licence bundled with the selected release and external libraries.
Official documentation and project