Basis sets used by DGauss DFT Code. They were kindly provided by Oxford Molecular Ltd http://www.oxmol.com/ and represented here by permission. Please refer to the comments in individual files on the conditions of use. The latest version of basis sets is available from Oxford Molecular ftp server in US: ftp://ftp.oxmol.com/pub/UniChem/UniChem_basis and UK ftp://ftp.oxmol.co.uk/pub/UniChem/UniChem_basis ======================================================= Two versions of basis set database are included here: 1) The older format file used with DGauss 3 and earlier. It is contained in the file basis.v3 2) The new format, as used by DGauss 4.0 and later, is in the file basis.v4 ======================================================= For perl utilities to convert these basis sets to other format look up the http://www.ccl.net/cca/software/PERL/basis/DG3_to_deMon/dg2dm.html ftp://www.ccl.net/pub/chemistry/software/PERL/basis/DG3_to_deMon/dg2dm.html for version 3.0, and http://www.ccl.net/cca/software/PERL/basis/DG4_to_deMon/dgn2dm.html ftp://www.ccl.net/pub/chemistry/software/PERL/basis/DG4_to_deMon/dgn2dm.html for version 4.0. Jan Labanowski jkl@ccl.net