SF6 octahedral shape

General Discussion
1

Greetings to all,

I am trying to model the SF6 molecule with Avogadro. When optimizing it I am getting a weird structure instead of the sp3d2 hybridized orbital structure that has an octahedral shape. Instead, after optimizing the shape, I get a flat structure.

Many thanks

2

Could you provide both your starting input structure and the structure after the force field optimization?

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3

It would also help to know what version of Avogadro you’re using, and what you’re using to optimize (e.g., UFF?)

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4

I was using MMFF94 without knowing it (it was autodetected) but when I used UFF it worked fine and the right structure was rendered. Thanks, I need to read more about the settings for the force field. The version of Avogadro that I am using is: 1.99.0

5

I was using MMFF94 and, per the next response, I switched it to UFF. Now things are lovely. Many thanks!

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