Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/STO-3G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | 2.80 | 3.00 | 3.20 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.283 | 0.644 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Ne2+ | Neon diatomic cation | 1.639 |
Highest value | Ne2 | Neon diatomic | 2.927 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Ne2 | Neon diatomic | 2.927 | 1 | 2 |
Ne2+ | Neon diatomic cation | 1.639 | 1 | 2 |