MOPAC calcn. of some reactivity indices



 Dear Colleages;
      I would like to calculate the following indices of reactivity for some
 phenolic derivatives using AM1 or PM3:
           Sum of electrophilic superdelocalisabilities, Si(E)
           Sum of nucleophilic superdelocalisabilities, Si(N)
           pi-electron densities on oxygen, qo
           Sum of pi-electron charges, |Qi|
 I have a reference giving these values for phenol using a simple HMO method:
           Sum of Si(E) = 6.33502
           Sum of Si(N) = 4.85500
           qo = 1.94002
           Sum of |Qi| = 0.21862
 The software I have at my disposal is a DOS version of MOPAC 6.0 and
 HyperChem 3.0 (Windows 3.1).  I would be most grateful if someone could
 advise me, firstly, if it is possible to calculate the above indices of
 reactivity via AM1 or PM3 using either MOPAC 6.0 and/or HyperChem 3.0.
 If it is indeed possible to calculate these indices with the software
 available to me, could you please explain how I go about doing so?  (The
 more explicit, the better.)
      Thanks to all responders in advance!
 Sincerely,
 S. Shapiro
 Institut fuer orale Mikrobiologie
 Zentrum fuer Zahn-, Mund- und Kieferheilkunde der Universitaet Zuerich
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