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 |
---|---|
CH3Br | methyl bromide |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCBr | 1.934 | 1998Kuc | re | 1 | 2 | ||
rCH | 1.082 | 1998Kuc | re | 1 | 3 | ||
aHCH | 111.2 | 1998Kuc | equilibrium | 3 | 1 | 4 | |
aHCBr | 107.7 | 1998Kuc | from HCH | 2 | 1 | 3 |
squib | reference |
---|---|
1998Kuc | K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998 |