yes, and now they are correct! :)
On Thu, Jul 19, 2012 at 1:10 PM, Andriy Zhugayevych <[email protected]> wrote:
> Solution: If Gaussian changes the orientation of the molecule in single
> point calculations Jmol detects two models: MOs are in the last model.
>
>
>
> --- Original message ---
> From: "Andriy Zhugayevych" <[email protected]>
> To: [email protected]
> Date: 1 July 2012, 19:11:10
> Subject: does not read Gaussian molecular orbitals
>
>
>
>
> > Jmol does not read molecular orbitals from a Gaussian log-file if a
> symmetry is present: see two examples
> http://zhugayevych.me/_sourceforge/doesnt_read_MO.log and
> http://zhugayevych.me/_sourceforge/does_read_MO.log. You probably always
> can add "NoSymm" keyword but usually you want to see the symmetry of
> molecular orbitals.
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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