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 |
---|---|
C6H8 | (Z)-hexa-1,3,5-triene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.104 | 1976Hellwege(II/7) | weighted average | 1 | 7 | ||
rCC | 1.458 | 1976Hellwege(II/7) | 1 | 3 | |||
rCC | 1.337 | 1976Hellwege(II/7) | end = | 3 | 5 | ||
rCC | 1.368 | 1976Hellwege(II/7) | center = | 1 | 2 | ||
aCCC | 121.7 | 1976Hellwege(II/7) | from end | 1 | 3 | 5 | |
aCCC | 124.4 | 1976Hellwege(II/7) | 2 | 1 | 3 |
squib | reference |
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1976Hellwege(II/7) | Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976. |