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______ So, your system point group is C2h with elements:UNIT I P1 C21 Choose an option: >>>>>> atoms are numbered across species <<<<<<< 1. Specify atom to be moved and show all equivalent 2. Choose the method of displacing atoms M. Move it!-------------- g e n e r a l s e t t i n g s ---------------- UU. ****** RESTORE the original serting ****** U. ********** UNDO *********** the last step XY. Produce <geom.xyz> file after every change for Xmol Hs. H atoms to be added to <geom.xyz> file: NO An. [For input] Coordinates are specified in: <AtomNumber> Sy. Check the symmetry after distortion Co. Show current atomic positions in fractional/Cartesian Bb. Set the size of the breeding box for visualisation >>>>> Current setting for the breeding box: <<<<< [ 0... 0] x [ 0... 0] x [ 0... 0] >>>>> extension = 1, # of atoms= 65 W. Write <geom.xyz> file to preview using current breeding S. Save. Q. Proceed/Quit ----------> Choose the appropriate option:
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