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.
>
>
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