RE: Gaussian: mixing basis sets ?



Hello,
 Use 'Gen' instead of any basis function in Route card.
 'Gen' is general basis.
 At the end of your coordinates or z-matrix, after a blank line, add:
 Ag 0
 Basis set A
 ****
 O H 0
 Basis set B
 ****
 For more details see Gen in Gaussian manual
 Thanks
 Tapas Kar
 -----Original Message-----
 From: Computational Chemistry List [mailto:chemistry-request:at:ccl.net] On
 Behalf Of Jerome Baudry
 Sent: Monday, August 23, 2004 4:01 PM
 To: chemistry:at:ccl.net
 Subject: CCL:Gaussian: mixing basis sets ?
 Dear list
 Do you know how (is possible) to assign different basis sets to parts of the
 same calculation. For example I want to describe some Ag atoms by basis set
 A and a water molecule by basis set B.Couldn't find anything in the Gaussian
 technical help website.
 Thanks,
 Jerome
 ----------------------------------------------------------
 Jerome Baudry, Ph.D.       Senior Research Scientist, VizLab Manager.
 School of Chemical Sciences    University of Illinois at Urbana-Champaign
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