#!/bin/csh
if (-e $1) then
	java FreqQRC $*
else
	echo This class reads in a jaguar frequency calculation file: $1.out
	echo and produces a new cartesian file: $1.fdt
	echo with coordinates with the 
	echo first vibrational frequency added, and separately, subtracted.
	echo These files can then be minimised as pseudo IRC calculation.
	echo
	echo The first step is to find cartesian coordinates describing the final 
	echo geometry. These are usually marked 'final geometry' unless the
	echo calculation was not a minimisation, in which case they are
	echo 'Input geometry'
	echo
	echo Once these have been read, go on to find frequencies.
	echo This program will just read the first - the negative one
	echo if there is a negative one.
	echo
	echo A second parameter will be used to modify the degree of distortion
	echo The default value is 1.0
	echo
	echo The first line of the .ftd file should end with the energy, in
	echo hartrees. Some GAMESS files do not include this, and it should
	echo be added by hand if the .ftd file is going to be used in a 
	echo FindQRC calculation.
	echo
endif



