Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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ROHF/STO-3G
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.44 | 1.45 | 1.45 | 1.46 | 1.46 | 1.47 | 1.47 | 1.48 | 1.48 | 1.49 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.471 | 0.017 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HSe | Selenium monohydride | 1.446 |
Highest value | H2Se+ | Hydrogen selenide cation | 1.483 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSe | Selenium monohydride | 1.446 | 1 | 2 |
H2Se+ | Hydrogen selenide cation | 1.483 | 1 | 2 |
1.483 | 1 | 3 |