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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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You are here: Calculated > Geometry > Bad Calculations > Bad point group OR Resources > Bad Calculations > Geometry > Bad point group OR FAQ Help > List > Geometry > Bad point group |
Point group | |||
---|---|---|---|
Species | Name | Experimental | Calculated |
HDO | Water-d1 | Cs | C2v |
MgOH | magnesium hydroxide | C∞v | Cs |
NO3 | Nitrogen trioxide | D3h | C2v |