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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 |
---|---|
C4H4N2 | Pyrazine |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.083 | 1992Kuchitsu(II/21) | 3 | 7 | |||
rCN | 1.338 | 1992Kuchitsu(II/21) | 2 | 5 | |||
rCC | 1.397 | 1992Kuchitsu(II/21) | 3 | 6 | |||
aCNC | 115.7 | 1992Kuchitsu(II/21) | 3 | 1 | 4 | ||
aHCC | 120.0 | 1992Kuchitsu(II/21) | 3 | 6 | 10 | ||
aCCN | 122.2 | 1992Kuchitsu(II/21) | by symmetry | 1 | 4 | 5 | |
aHCN | 117.9 | 1992Kuchitsu(II/21) | by symmetry | 1 | 4 | 8 |
squib | reference |
---|---|
1992Kuchitsu(II/21) | Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 21: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1992. |