Posted by Nicolas Ferré on January 18, 2007 at 10:12:08:
In Reply to: Re: Dummy atom definition? posted by Nicolas Ferré on January 18, 2007 at 10:08:00:
: Hi, you can use the following:
: basis set
: H ..... / inline
: 0.0 0
: 0 0
: X1 1.05996629 0.89325465 8.34142123
: end of basis
: Numbers are coordinates of the dummy atom X1.
Sorry, I forget these 2 lines (in order to get a real dummy atom):
Charge
0.0