Re: Orientation of the molecule

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Posted by Valera on October 03, 2014 at 10:32:52:

In Reply to: Re: Orientation of the molecule posted by Evgeniy on October 02, 2014 at 14:32:15:

Hi Evgeniy,
There is no difference between gateway and seward in
this respect.

But I misunderstood the question.
To use XYZ coordinates - one should use
COORD keyword. And in this case coordinates might move.
(but you can prevent it by using NOMOVE).

If you use 'old style' input without COORD - coordinates
never moved.

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if B is 1s22s22p1, what is Li?



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