AMBER Archive (2009)

Subject: Re: [AMBER] gaussain output

From: FyD (
Date: Mon Aug 17 2009 - 17:59:39 CDT

> Quoting subarna thakur <>:
>> 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

& you could modify the source code of R.E.D. to enable this feature...

regards, Francois

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