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 |
---|---|
C2H6+ | ethane cation |
description | Value | Reference | Comment | Atom number | |||
---|---|---|---|---|---|---|---|
rCC | 1.536 | 1966Herzberg | 1 | 2 | |||
rCH | 1.091 | 1966Herzberg | 1 | 3 | |||
aHCH | 108.0 | 1966Herzberg | 3 | 1 | 4 | ||
aHCC | 110.9 | 1966Herzberg | by symmetry | 1 | 2 | 6 |
squib | reference |
---|---|
1966Herzberg | Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966 |