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 |
---|---|
CH3OCHO | methyl formate |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCO | 1.200 | 1976Hellwege(II/7) | 3 | 4 | |||
rCO | 1.334 | 1976Hellwege(II/7) | middle O to C=O | 2 | 3 | ||
rCH | 1.101 | 1976Hellwege(II/7) | C between O | 3 | 8 | ||
rCO | 1.437 | 1976Hellwege(II/7) | end C | 1 | 2 | ||
rCH | 1.086 | 1976Hellwege(II/7) | end C | 1 | 5 | ||
aOCO | 125.9 | 1976Hellwege(II/7) | 2 | 3 | 4 | ||
aHCO | 109.3 | 1976Hellwege(II/7) | middle C to middle O | 4 | 3 | 8 | |
aCOC | 114.8 | 1976Hellwege(II/7) | 1 | 2 | 3 | ||
aHCH | 110.7 | 1976Hellwege(II/7) | end C | 5 | 1 | 6 | |
dCOCO | 0.0 | 1976Hellwege(II/7) | assumed planar | 1 | 2 | 3 | 4 |
squib | reference |
---|---|
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. |