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/3-21G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.47 | 1.47 | 1.47 | 1.48 | 1.48 | 1.48 | 1.48 | 1.48 | 1.49 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.476 | 0.004 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H2Se | Hydrogen selenide | 1.471 |
Highest value | HSe+ | selenium monohydride cation | 1.484 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSe | Selenium monohydride | 1.478 | 1 | 2 |
HSe+ | selenium monohydride cation | 1.484 | 1 | 2 |
H2Se | Hydrogen selenide | 1.471 | 1 | 2 |
1.471 | 1 | 3 | ||
H2Se+ | Hydrogen selenide cation | 1.477 | 1 | 2 |
1.477 | 1 | 3 |