Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/3-21G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | 3.40 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.328 | 0.672 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Ne2+ | Neon diatomic cation | 1.656 |
Highest value | Ne2 | Neon diatomic | 3.000 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Ne2 | Neon diatomic | 3.000 | 1 | 2 |
Ne2+ | Neon diatomic cation | 1.656 | 1 | 2 |