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 |
---|---|
C2H5F | fluoroethane |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.505 | 1976Hellwege(II/7) | rs | 1 | 2 | ||
rCF | 1.398 | 1976Hellwege(II/7) | rs | 1 | 3 | ||
rCH | 1.095 | 1976Hellwege(II/7) | rs | 1 | 4 | ||
rCH | 1.090 | 1976Hellwege(II/7) | rs | 2 | 7 | ||
rCH | 1.091 | 1976Hellwege(II/7) | rs | 2 | 6 | ||
aCCF | 109.7 | 1976Hellwege(II/7) | rs | 2 | 1 | 3 | |
aHCF | 106.1 | 1976Hellwege(II/7) | rs | 3 | 1 | 4 | |
aHCC | 112.9 | 1976Hellwege(II/7) | rs | 2 | 1 | 4 | |
aHCH | 108.8 | 1976Hellwege(II/7) | rs | 4 | 1 | 5 | |
aHCC | 109.7 | 1976Hellwege(II/7) | rs | 1 | 2 | 6 | |
aHCH | 108.9 | 1976Hellwege(II/7) | rs | 7 | 2 | 8 | |
aHCH | 108.7 | 1976Hellwege(II/7) | rs | 6 | 2 | 7 | |
aHCC | 110.4 | by symmetry | 1 | 2 | 7 | ||
dHCCF | 118.0 | from symmetry | 3 | 2 | 1 | 4 | |
dHCCH | 119.8 | from symmetry | 6 | 1 | 2 | 7 |
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. |