INTERNAL COORDINATES READ IN, AND SYMMETRY...
If internal coordinates are read in, but the calculation is to be carried out using Cartesian coordinates, then any symmetry relationships between the internal coordinates will not be reflected in the Cartesian coordinates. For example, if the bond-lengths of atoms 5 and 6 are equal, it does not follow that these atoms have equal values for their “X” coordinates. This is a fatal error.
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