Why dipole moment values extracted form gaussview is different from that got from Avogadro ?

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Muhammad Khattab

Thanks Nora for your response.

I meant by using the same output file of gaussian calculation, i got different DM values by using the visulaizer software (gaussview and Avogadro).

Muthuraja Perumal

You may also try by giving 'Polar' condition after the optimization of the structure.

Thanks, All!

I think it's better to stick to gaussview results and ignore avogadro. Because manually inspecting the output file, i found the value of DM is the same as the one presented by gaussview.

Henrique C. S. Junior

Hi, Nora and Muhammad.

I'm not using G09 or Gview but I do use Avogadro a lot and I'm a member of the development discussion list. Recently we had an interesting discussion about dipole moments in Avogadro, specially the new 1.2 version. Long story short: this piece of code in Avogadro is a little messy, don't use it for nothing serious.

Thanks Henrique!

M. A. Al-Kaabi

It is supposed that they give approximately the same value.