Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PBEPBE/Def2TZVPP
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
2.18 | 2.20 | 2.22 | 2.24 | 2.26 | 2.28 | 2.30 | 2.32 | 2.34 | 2.36 | 2.38 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.274 | 0.060 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | Se2 | Selenium diatomic | 2.195 |
Highest value | H2Se2 | hydrogen diselenide | 2.351 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
Se2- | selenium diatomic anion | 2.310 | 1 | 2 |
Se2 | Selenium diatomic | 2.195 | 1 | 2 |
Se2+ | selenium diatomic cation | 2.241 | 1 | 2 |
H2Se2 | hydrogen diselenide | 2.351 | 1 | 2 |