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<DIV>Hi george,</DIV>
<DIV> </DIV>
<DIV style="TEXT-INDENT: 2em">I do not think there are avoid crossings between
states in two different symmetries, which are electronic couplings if I
understand correctly. There might be rotational-electronic coupling such as
Renner Teller coupling in such case, but Molpro may not allow you a
straightforward implement on this type of diabatization.</DIV>
<DIV style="TEXT-INDENT: 2em"> </DIV>
<DIV style="TEXT-INDENT: 2em">Best, Bin.</DIV>
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<DIV><B>From:</B> <A href="mailto:george.iitm@gmail.com">george</A></DIV>
<DIV><B>Date:</B> 2012-11-08 04:29</DIV>
<DIV><B>To:</B> <A
href="mailto:molpro-user@molpro.net">molpro-user</A></DIV>
<DIV><B>Subject:</B> [molpro-user] (no subject)</DIV></DIV></DIV>
<DIV>
<DIV class=FoxDiv20121108093408775071>Hello all
<BR><BR> I like to compute
two state diabatization with molpro involving two different symmetries.<BR>The
example given in the manual highlights the diabatization involving the same
symmetries.<BR>I will be happy if anyone provides me an input file for
diabatization for two different symmetries.<BR><BR><BR>Thanks in advance
<BR></DIV></DIV></DIV></DIV></DIV></DIV></DIV></DIV></BODY></HTML>