Subject: RE: addition of downloaded basis set help!

From: "Roma Oakes" <[email-masked]>
Date: Tue, 24 Jul 2001 11:55:08 +0100

Thanks to all who helped me with this - the calculation is running (still!)
and I think that it must be going okay - since the molecule has optimised
and now I'm just waiting for the frequency calculations to finish - looks
like it may be a long wait.

thanks again

Roma Oakes

-----Original Message-----
From: Roma Oakes [mailto:[email-masked]]
Sent: 18 July 2001 08:21
To: ccl
Subject: addition of downloaded basis set help!

Dear all

I am fairly new to computational chem. (6 months).  I use Gaussian 98 on
both a Linux and a windows system.

Can someone explain, (in very simple terms) and one step at a time, how to
get g98 to use a basis set that I have downloaded from
http://www.dl.ac.uk/emsl_pnl/basisform.html It downloaded as a .rtf.  I have
located where the basis sets are stored on Linux (can't find them at all in
the windows version!)

I know that I need to use additional keywords but I can't figure out exactly
what they ought to be - and where they should be put.

All help gratefully received

Roma Oakes

[email-masked]