Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Species | Name |
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C6H5Br | bromobenzene |
description | Value | Reference | Comment | Atom number | |||
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rCH | 1.072 | 3 | 8 | ||||
rCBr | 1.850 | 2 | |||||
rCC | 1.401 | 5 | 7 | ||||
rCC | 1.375 | 3 | 5 | ||||
rCC | 1.420 | 2 | 4 | ||||
aCCC | 117.4 | 3 | 2 | 4 |