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Problem with internal coordinates

Pavel Butrimov
butrimv@gmail.com


Hi,
Explain, please, that means number in brackets and numbers after a sign =.
These are numbers of atoms or values I-J bond length,I-J-K bond angle, etc.?

Example - a nonlinear triatomic, atom 2 in the middle:
               $ZMAT IZMAT(1)=1,1,2,  2,1,2,3,  1,2,3  $END

I have already read through a file INPUT.doc :)

Thanks!


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