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 |
---|---|
C3H4O | Methylketene |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCO | 1.171 | 1966Bak/Chr:883 | 1 | 4 | |||
rCC | 1.306 | 1966Bak/Chr:883 | 1 | 2 | |||
rCC | 1.518 | 1966Bak/Chr:883 | 2 | 3 | |||
rCH | 1.083 | 1966Bak/Chr:883 | vinyl | 2 | 5 | ||
rCH | 1.083 | 1966Bak/Chr:883 | methyl | 3 | 6 | ||
aCCO | 180.0 | 1966Bak/Chr:883 | 2 | 1 | 4 | ||
aCCC | 122.6 | 1966Bak/Chr:883 | 1 | 2 | 3 | ||
aHCC | 113.7 | 1966Bak/Chr:883 | 1 | 2 | 5 | ||
aHCH | 109.9 | 1966Bak/Chr:883 | 6 | 3 | 7 |
squib | reference |
---|---|
1966Bak/Chr:883 | B Bak, JJ Christiansen, K Kuntsmann, L Nygaard, J Rastrup-Andersen "Microwave Spectrum, Molecular Structure, Barrier to Internal Rotation, and Dipole Moment of Methylketene" J. Chem. Phys. 45(1), 883, 1966 |