AMBER Archive (2009)

Subject: Re: [AMBER] gaussain output

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Mon Aug 17 2009 - 04:50:53 CDT

Quoting subarna thakur <thakur.subarna_at_yahoo.co.in>:

> Hello user
> I am using Gaussain 03 to calculate the electrostatic potential of
> Fe4S4 metal cluster.I want to carry single-point calculation  using
> B3LYP and 6-31G(d) basis set but for the Fe metal I want to use
> 6-31G(2df) basis set.Can anybody suggest the gaussain input where 2
> different basis set are mentioned simultaneously.

Dear Subarna,

You might look at
http://www.gaussian.com/g_tech/g_ur/k_gen.htm

regards, Francois

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