Sent to CCL by: Daniel Jana [dfjana-#-gmail.com] Marcel Swart marcel.swart*_*icrea.es wrote:
Sent to CCL by: Marcel Swart [marcel.swart]^[icrea.es] See http://bse.pnl.gov/bse This website allows to select the basis set and the element, and it will give the input for any of a number of QC programs, among which also G03 (Gaussian94 format).
There's a minor error though in the basis sets for Gaussian (I think only after the latest look change). The basis set you get from there start with a '*****' string. Gaussian wants the basis set list to start with the symbol of an element, not with asterisks. Taking that line out solves the problem.
Daniel