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Topic Title: Why does Chem3D minimize nitrogen dioxide (radical) so badly?
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Created On: 4/16/2020 7:01 AM
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 4/16/2020 7:01 AM
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Nebu

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Joined: 3/19/2018

I build from text `O-N+O`, I delete the hydrogen atom added automatically on N, then I click Ctrl+M. Both the bond length and the angle differ from what I see in the top right image here: https://en.wikipedia.org/wiki/Nitrogen_dioxide

 4/16/2020 7:08 AM
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Nebu

Posts: 4
Joined: 3/19/2018

And regarding nitrite, which is ONO-

Why doesn't it show it to me as having a resonance structure? How would I tell Chem3D to build it with a resonance structure instead of O=N-O-

 4/16/2020 7:14 AM
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Nebu

Posts: 4
Joined: 3/19/2018

The bond angle on Nitrite is supposedly around 115° (source: https://en.wikipedia.org/wiki/Nitrite#Structure)

Minimizing with Chem3D gives me 121°

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