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 | Bicyclo[3.1.0]hex-2-ene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.089 | 1987Kuchitsu(II/15) | assumed | 4 | 11 | ||
rCH | 1.082 | 1987Kuchitsu(II/15) | assumed | 3 | 10 | ||
rCH | 1.078 | 1987Kuchitsu(II/15) | assumed | 6 | 14 | ||
rCH | 1.091 | 1987Kuchitsu(II/15) | assumed | 2 | 8 | ||
rCC | 1.521 | 1987Kuchitsu(II/15) | 1 | 3 | |||
rCC | 1.494 | 1987Kuchitsu(II/15) | 3 | 6 | |||
rCC | 1.482 | 1987Kuchitsu(II/15) | 1 | 4 | |||
rCC | 1.522 | 1987Kuchitsu(II/15) | 3 | 4 | |||
rCC | 1.529 | 1987Kuchitsu(II/15) | 1 | 2 | |||
rCC | 1.530 | 1987Kuchitsu(II/15) | 2 | 5 | |||
rCC | 1.338 | 1987Kuchitsu(II/15) | 5 | 6 | |||
aHCC | 128.9 | 1987Kuchitsu(II/15) | assumed | 5 | 6 | 14 | |
aHCH | 116.7 | 1987Kuchitsu(II/15) | assumed | 11 | 4 | 12 | |
aCCC | 112.0 | 1987Kuchitsu(II/15) | 3 | 6 | 5 | ||
aCCC | 111.5 | 1987Kuchitsu(II/15) | 2 | 5 | 6 | ||
aHCC | 121.4 | 1987Kuchitsu(II/15) | 6 | 3 | 10 | ||
aHCC | 118.5 | 1987Kuchitsu(II/15) | 2 | 1 | 7 |
squib | reference |
---|---|
1987Kuchitsu(II/15) | Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987. |