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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 |
HCN- | Hydrogen cyanide anion | Cs | C∞v |
C3 | carbon trimer | C2v | D∞h |
CH3CHO | Acetaldehyde | Cs | C1 |
C4H6 | 1-Methylcyclopropene | C1 | Cs |
HCONHCH3 | N-methylformamide | Cs | C1 |
SO3- | Sulfur trioxide anion | D3h | C3v |
CH2ClCH2OH2+ | 2-chloroethanol, protonated | C1 | Cs |