problem calculating Fukui indices with Mopac



Hello,
   I'm trying to calculate condensed Fukui indices. I am using Mopac 7.01
 and I am doing the calculations with the PM3 hamiltonian.
 My problem occurs when I try and calculate mulliken charges for the
 molecule with N+1 and N-1 electrons (where N is the number of electrons
 in the neutral molecules).
 For the N+1 case my keyword line is
 PM3 doublet charge=1 mullik
 However though the calculation for the neutral molecule takes less than
 a minute for the above case the calculation does not end after 5
 minutes. Is this to be expected or am I doing something wrong?
 I tried adding mmok and geo-ok since the structures are already geometry
 optimized but that does'nt help. Is it correct to be using a PM3
 hamiltonian for such systems?
 Any pointers would be appreciated.
 Thanks,
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 Rajarshi Guha <rxg218^at^psu.edu> <http://jijo.cjb.net>;
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