Posted by Nicolas Ferré on January 18, 2007 at 10:08:00:
In Reply to: Dummy atom definition? posted by Andy Kerridge on January 17, 2007 at 18:41:06:
Hi, you can use the following:
basis set
X ..... / inline
0.0 0
0 0
X1 1.05996629 0.89325465 8.34142123
end of basis
Numbers are coordinates of the dummy atom X1.
Hope this helps.