<HTML><BODY style="word-wrap: break-word; -khtml-nbsp-mode: space; -khtml-line-break: after-white-space; "><DIV><BR class="khtml-block-placeholder"></DIV>You can use the rotate command in multi to reorder MO's , e.g.,<DIV><BR class="khtml-block-placeholder"></DIV><DIV>rotate,10.1,12.1;</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>will switch the starting orbitals 10 and 12 in symmetry 1 (the angle defaults to 90 degs). You can have as many of these directives as you need.</DIV><DIV><BR class="khtml-block-placeholder"></DIV><DIV>-Kirk</DIV><DIV><BR><DIV><DIV>On Apr 9, 2007, at 9:56 AM, Shireen Falah wrote:</DIV><BR class="Apple-interchange-newline"><BLOCKQUOTE type="cite">Dear Molpro users, <BR><BR>Excuse me if you think my question is trivial. I want to reorder RHF orbitals so as to use them as an initial guess for MCSCF calculations. I wonder if this can be done using Molpro? I could not figure out how to do it. <BR><BR>Any help or hints please? <BR><BR>Thanks in advance. <BR><BR>Best regards, <BR>Sherin Alfalah<BR><DIV> <BR class="khtml-block-placeholder"></DIV><HR size="1">We won't tell. Get more on <A href="http://us.rd.yahoo.com/evt=49980/*http://tv.yahoo.com/collections/265 ">shows you hate to love</A><BR>(and love to hate): <A href="http://us.rd.yahoo.com/evt=49980/*http://tv.yahoo.com/collections/265 ">Yahoo! TV's Guilty Pleasures list.</A></BLOCKQUOTE></DIV><BR></DIV></BODY></HTML>