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yes,it"s neutral On Mon, 21 Apr 2003, Anthony Stone wrote: > Not all molecular properties are independent of origin. The > hyperpolarizability of an ion can depend on the origin position. Is > your molecule neutral? > > > At 17:45 on 19 April, Senthil Kumar S wrote: > > > Hello Group, > > I have some probelm using Gaussian - 98 for calculating > > hyperpolarizability values. > > > > It"s value depends on where you put the origin.Say if you write > > z - matrix with and without dummy atom,you will get different > > hyperpolarizability for the same molecule!?!? after all hyperpolarizabilty > > is molecular property it shouldnt depend on where you put the origin > > right.I need your feed back regarding this problem. > > > > Thanx > > > > best regards, > > Senthil Kumar.S. > >