Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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TPSSh/6-31G(2df,p)
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.90 | 1.95 | 2.00 | 2.05 | 2.10 | 2.15 | 2.20 | 2.25 | 2.30 | 2.35 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.082 | 0.156 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NaH | sodium hydride | 1.900 |
Highest value | NaH- | sodium hydride anion | 2.281 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NaH- | sodium hydride anion | 2.281 | 1 | 2 |
NaH | sodium hydride | 1.900 | 1 | 2 |
NaH+ | sodium hydride cation | 2.064 | 1 | 2 |