- Support ONIOM calculations in Gaussian (Karen Hemelsoet)
- New attribute atomcharges extracts Mulliken and Lowdin atomic charges if present
- New attribute atomspins extracts Mulliken and Lowdin atomic spin densities if present
- New thermodynamic attributes: freeenergy, temperature, enthalpy (Edward Holland)
- Extract PES information: scanenergies, scancoords, scanparm, scannames (Edward Holland)
- Many bugfixes, thanks to Björn Dahlgren, Jerome Kieffer, Pavel Solntsev, Chengju Wang and Björn Baumeier