The IRC and DRC can produce several different forms of output. Because of the large size of these outputs, users are recommended to use search functions to extract information. To facilitate this, specific lines have specific characters. Thus, a search for the "%" symbol will summarize the energy profile while a search for "AA" will yield the coordinates of atom 1, whenever it is printed. The main flags to use in searches are:
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Instead of every point being printed, the option exists to print specific points determined by the keywords T-PRIORITY, X-PRIORITY and H-PRIORITY. If any one of these words is specified, then the calculated points are used to define quadratics in time for all variables normally printed. In addition, if the flag for the first atom is set to "T" then all kinetic energy turning points are printed. If the flag for any other internal coordinate is set to "T" then, when that coordinate passes through an extremum, that point will be printed. As with the PRIORITY's, the point will be calculated via a quadratic to minimize non-linear errors.
N.B.: Quadratics are unstable in the regions of inflection points; in these circumstances linear interpolation will be used. A result of this is that points printed in the region of an inflection may not correspond exactly to those requested. This is not an error and should not affect the quality of the results.