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, <malkhasi at oakland.edu> 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 >