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 |
---|---|
CH3NC | methyl isocyanide |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCH | 1.094 | 1987Kuchitsu(II/15) | CD3NC measured | 1 | 4 | ||
rCN | 1.426 | 1987Kuchitsu(II/15) | from CD3NC | 1 | 2 | ||
rCN | 1.166 | 1987Kuchitsu(II/15) | from CD3NC | 2 | 3 | ||
aHCH | 109.4 | 1987Kuchitsu(II/15) | from CD3NC | 4 | 1 | 5 | |
aHCN | 109.6 | 1987Kuchitsu(II/15) | from CD3NC | 2 | 1 | 4 |
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. |