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Example: CH
2
ClCH
2
COOH
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mod_wfn
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mod_wfn
Contents
mod_wfn input
filein
(a40) : wfn file name
natoms2
(free format) : number of selected atoms
iatom(i),i=1,natoms2
: list of the selected atoms
fileout
(a40) : modified wfn file name
Subsections
Example: CH
2
ClCH
2
COOH