Netters, Some time ago I requested cartesians (or Z-matrices) for fullerenes, and was afforded many responses. I have compiled the cartesians for 20 fullerenes (20, 24, 26, 28, 30, 32, 36, 50, 60, 76, 78 [4 different ones], 80, 180, 240, 320, 540) and they are available as ASCII files from kekule via ftp (thanks Jan). I anticipate some of you may find these useful. The files are in Chem-3D format, which is trivial to transform into whatever you please even in the absence of having Chem-3D software. Incidentally, if you use Chem-3D to bring these up as pictures, don't be impatient with the big ones. Even my Quadra 800 hums for awhile before C540 appears . . . Finally, there's a file called Credits with the names of the people whose donations I used. Thanks to ALL who responded. For those not intimately familiar with the field, I should point out that after C20, there are up to thousands of different possible isomers for individual fullerenes -- one should not necessarily assume that these are global minima. Christopher J. Cramer University of Minnesota Department of Chemistry 207 Pleasant St. SE Minneapolis, MN 55455-0431 (612) 624-0859 cramer@maroon.tc.umn.edu =============================================================== --------- Note added by Jan Labanowski (jkl@ccl.net) --------- Thank you Chris for this magnificent contribution. I placed the files on anonymous ftp on www.ccl.net in the /pub/chemistry/data/fullerenes directory. The following files are there: c180.cart3d, c20.cart3d, c24.cart3d, c240.cart3d, c26.cart3d, c28.cart3d, c30.cart3d, c32.cart3d, c320.cart3d, c36.cart3d, c50.cart3d, c540.cart3d, c60.cart3d, c76.cart3d, c78a.cart3d, c78b.cart3d, c78c.cart3d, c78d.cart3d, c80.cart3d, credits, readme To retrieve them all follow these instructions: ftp www.ccl.net [or ftp 128.146.36.5] Login: anonymous Password: your_e-mail_address ftp> cd /pub/chemistry/data/fullerenes ftp> mget * ftp> quit You can also retrieve them via e-mail via MAILSERV@ccl.net. Send a message: SELECT CHEMISTRY CD data/fullerenes get * QUIT and files will be delivered to your mailbox automatically. Jan Labanowski jkl@ccl.net --------------------------------------------------- New additions: C70 Z-matrix from Ioan Silaghi-Dumitrescu