Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/3-21G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
3.20 | 3.30 | 3.40 | 3.50 | 3.60 | 3.70 | 3.80 | 3.90 | 4.00 | 4.10 | 4.20 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
3.770 | 0.390 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Na2 | Sodium diatomic | 3.219 |
Highest value | Na2+ | sodium diatomic cation | 4.064 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Na2- | sodium diatomic anion | 4.027 | 1 | 2 |
Na2 | Sodium diatomic | 3.219 | 1 | 2 |
Na2+ | sodium diatomic cation | 4.064 | 1 | 2 |