Subject: Lithium basis sets for DFT

From: Laurence Cuffe <[email-masked]>
Date: Sun, 06 Apr 2003 12:46:38 +0100

Dear All
I have been getting inconsistent results for lithium complexes
the 6-31+g* or 6-311++G** basis sets and either b3lyp or Handys
BHandHLYP functionals in G98.  The other atoms in my molecules 
are C, O, N, and H.  Can anyone recommend any other 
computational methods or basis sets worth trying for systems 
containing up to 15 heavy atoms and 20 hydrogens
All the best
Laurence Cuffe.