Subject: Re: CCL:W:isotope calculations

From: Gustavo Seabra <gustavo.seabra ^^^ gmail.com>
Date: Tue, 14 Jun 2005 22:53:34 -0400

On 6/14/05, kono, , lemke <klemke04 ^^^ yahoo.com> wrote:
> 
> i am running cbs-4 calculations on small deuterated organics and
> can not get gaussian to rerun for heavier isotopes. does gaussian
> require a blank line at the input end? any suggestion
> as how to edit the input below would be appreciated. thanks
> kono

Yes. I've had calculations crashing for missing the blank line 
in the end. HTH.

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Gustavo Seabra Postdoctoral Associate
Quantum Theory Project University of Florida
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