Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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AM1
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.49 | 2.50 | 2.50 | 2.51 | 2.51 | 2.52 | 2.52 | 2.53 | 2.53 | 2.54 | 2.54 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.517 | 0.021 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | I2+ | Iodine diatomic cation | 2.495 |
Highest value | I2 | Iodine diatomic | 2.538 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
I2 | Iodine diatomic | 2.538 | 1 | 2 |
I2+ | Iodine diatomic cation | 2.495 | 1 | 2 |