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 |
---|---|
CH3CHF2 | Ethane, 1,1-difluoro- |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.498 | 1980Bea/Jon:105 | 1 | 2 | |||
rCF | 1.364 | 1980Bea/Jon:105 | 1 | 4 | |||
rCH | 1.081 | 1980Bea/Jon:105 | 2 | 6 | |||
aHCC | 111.0 | 1980Bea/Jon:105 | 1 | 2 | 6 | ||
aCCF | 110.7 | 1980Bea/Jon:105 | 2 | 1 | 4 | ||
aFCF | 107.4 | 1980Bea/Jon:105 | 4 | 1 | 5 | ||
aHCF | 108.5 | 1980Bea/Jon:105 | 3 | 1 | 4 | ||
aHCH | 107.9 | 1980Bea/Jon:105 | 6 | 2 | 7 |
squib | reference |
---|---|
1980Bea/Jon:105 | Beagly, B., Jones, M., Houldsworth, N., A Gas-Phase Electron Diffraction Study of the Molecular Structure of 1,1-Difluoroethane, J. of Mol. Struct., Vol. 62, pgs. 105-109 |