Dear Ara,
just use the rotate command:
casscf;occ,73;closed,65;core,19;wf,139,1,1;state,3;rotate,65.1,69.1,90;
regards,
Kirk
On Aug 27, 2004, at 10:18 AM, <[EMAIL PROTECTED]> wrote:
Dear friend
If someone can help me how to put swap comand ie I would like to swap orbital 65 with 69
casscf;occ,73;closed,65;core,19;wf,139,1,1;state,3;
Ara
