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 |
---|---|
C6H5Cl | chlorobenzene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.402 | 1976Rou/Mic:399 | 2 | 4 | |||
rCC | 1.386 | 1976Rou/Mic:399 | 4 | 6 | |||
rCC | 1.399 | 1976Rou/Mic:399 | 5 | 7 | |||
rCCl | 1.725 | 1976Rou/Mic:399 | 1 | 2 | |||
rCH | 1.079 | 1976Rou/Mic:399 | 3 | 8 | |||
rCH | 1.082 | 1976Rou/Mic:399 | 5 | 10 | |||
rCH | 1.081 | 1976Rou/Mic:399 | 7 | 12 | |||
aCCC | 120.4 | 1976Rou/Mic:399 | 3 | 2 | 4 | ||
aCCC | 119.5 | 1976Rou/Mic:399 | 2 | 3 | 5 | ||
aCCC | 120.4 | 1976Rou/Mic:399 | 3 | 5 | 7 | ||
aCCC | 119.8 | 1976Rou/Mic:399 | 5 | 7 | 6 | ||
aCCCl | 119.8 | 1976Rou/Mic:399 | 1 | 2 | 3 | ||
aHCC | 119.3 | 1976Rou/Mic:399 | 2 | 4 | 9 | ||
aHCC | 119.6 | 1976Rou/Mic:399 | 3 | 5 | 10 | ||
aHCC | 120.1 | 1976Rou/Mic:399 | 5 | 7 | 12 |
squib | reference |
---|---|
1976Rou/Mic:399 | G Roussy, F Michel "Spectres de Rotation del al molecule de chlorobenzene I. Varietes Isotopiques Monosubstituees et structure rs" J. Mol. Struct. 30 (1976) 399-407 |