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Re: Using ZMT for diatomic calculations.
Firefly reads atomic numbers and ignores element symbols. In the first example, atomic numbers are in the second column, while in the second example they are absent.
>O 8 0.0 0.0 0.0
>O 8 1.3 0.0 0.0
>O 1 1.3
Tue Nov 2 '10 2:53pm
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