[molpro-user] {SPAM}? how to get correct symmetry

Yulia Kalugina amora at list.ru
Mon Feb 14 06:54:46 GMT 2011

Dear Molpro community,

Could you advise me how to solve the problem: I need to get D2h symmetry for porphine, however, with the card SYMMETRY, X, Y, Z it doesn't work. I'm sure, that input corresponds to D2h symmetry.

Thank you in advance, Yulia

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20110214/ee1be779/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: porphineD2h.out
Type: application/octet-stream
Size: 7238 bytes
Desc: not available
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20110214/ee1be779/attachment.obj>

More information about the Molpro-user mailing list