From ch11mh@surrey.ac.uk Mon Feb 13 10:05:25 1995 Date: Mon, 13 Feb 1995 00:12:03 +0000 (GMT) For xyz: Try Babel For dipoles : MOPAC will do this for you, except I think it will tend to calculate charges at the same time. It's a big program - read the manual. I think you should be able to get both these programs via anonymous FTP from www.ccl.net in /pub/chemistry. BABEL and MOPAC run under DOS and UNIX. (MOPAC runs on OS/2 as well)