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Computational Chemistry Comparison and Benchmark DataBase Release 19 (April 2018) 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 | |||
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Species | Name | Experimental | Calculated |
CH2ClCH2OH2+ | 2-chloroethanol, protonated | C1 | Cs |