I have several questions regarding Gaussian files: Q: Who uses these files?
Q: Do you need anything other than Gaussian 98? The gaussian files that I am looking at have several sets of atom coordinates. But they only have one set of harmonic frequencies ... multiple frequencies with atom force vectors for each atom at each frequency. Q: Why are there multiple sets of atom coordinates but only one set of frequencies/force vectors? Q: Which set of atom coordinates do the force vectors apply to? The first one? All of them? Thanks Miguel ------------------------------------------------------- This SF.Net email is sponsored by: IBM Linux Tutorials Free Linux tutorial presented by Daniel Robbins, President and CEO of GenToo technologies. Learn everything from fundamentals to system administration.http://ads.osdn.com/?ad_id=1470&alloc_id=3638&op=click _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
