M:Trying to pereform IRC calculations

From: Jeffrey J Gosper <Jeffrey.Gosper \\at// brunel.ac.uk>
Subject: M:Trying to pereform IRC calculations
Date: Wed, 25 Oct 1995 09:12:12 BST

 A few days ago I requested information about the output from IRC
 calculations within MOPAC6. Thanks to all those that provided the
 answer.
 The level of output from an IRC is controlled by a number of
 keywords but an essential one for getting geoemtires printed (and is
 not mentioned in the IRC section of MOPACs manual) is the keyword
 LARGE. This is true in both MOPAC6 and MOPAC93.
 Combining LARGE with X-PRIO in IRC calculations produces the output
 I desire.
 PS: The output produced from these calculations can be very large
 and I'm working towards a program that automatically constructs
 a multistructure XYZ file from the output. Such an XYZ file can be
 visualized/analysed using XMOL or my program Re_View.
 Thanks again to all those who helped.
 /\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\
  Dr. Jeff Gosper
  Dept. of Chemistry
  BRUNEL University
  Uxbridge Middx UB8 3PH, UK
  voice:  01895 274000 x2187
  facsim: 01895 256844
  internet/email/work:   Jeffrey.Gosper \\at// brunel.ac.uk
  internet/WWW: http://http2.brunel.ac.uk:8080/~castjjg
 \/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/\/