Together with the point group symmetry, a tolerance parameter can be supplied.
SYMMETRY {symbol} {tol=tolerance}
symbol
The Schönfliess symmetry symbol. A complete list of allowed values for this argument is given in Appendix 5.3.
tolerance
The tolerance (absolute
deviation in the Cartesian coordinates) for atomic positions being symmetry
equivalent. The same tolerance applies to check the mapping of fragments on
attached fragment files with the actual fragments.
If the tolerance is specified it is interpreted in the chosen unit of length (units).
The default tolerance is 0.001 Angstrom and the maximum is 0.1 a.u.
Input atomic coordinates that are slightly (within the tolerance) off from their correct positions are adjusted by the program.
