Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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TPSSh/aug-cc-pVTZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.46 | 1.47 | 1.47 | 1.48 | 1.48 | 1.49 | 1.49 | 1.50 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.478 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | H2Se | Hydrogen selenide | 1.467 |
Highest value | HSe+ | selenium monohydride cation | 1.493 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSe- | selenium monohydride anion | 1.475 | 1 | 2 |
HSe | Selenium monohydride | 1.472 | 1 | 2 |
HSe+ | selenium monohydride cation | 1.493 | 1 | 2 |
H2Se | Hydrogen selenide | 1.467 | 1 | 2 |
1.467 | 1 | 3 | ||
H2Se+ | Hydrogen selenide cation | 1.486 | 1 | 2 |
1.486 | 1 | 3 | ||
H3Se+ | Hydrogen Selenide, protonated | 1.480 | 1 | 2 |
1.480 | 1 | 3 | ||
1.480 | 1 | 4 | ||
H2Se2 | hydrogen diselenide | 1.474 | 1 | 3 |
1.474 | 2 | 4 |