Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP/STO-3G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | 1.51 | 1.52 | 1.53 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.481 | 0.021 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HSe- | selenium monohydride anion | 1.452 |
Highest value | HSe+ | selenium monohydride cation | 1.516 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
HSe- | selenium monohydride anion | 1.452 | 1 | 2 |
HSe | Selenium monohydride | 1.465 | 1 | 2 |
HSe+ | selenium monohydride cation | 1.516 | 1 | 2 |
H2Se | Hydrogen selenide | 1.458 | 1 | 2 |
1.458 | 1 | 3 | ||
H2Se+ | Hydrogen selenide cation | 1.504 | 1 | 2 |
1.504 | 1 | 3 | ||
H3Se+ | Hydrogen Selenide, protonated | 1.494 | 1 | 2 |
1.494 | 1 | 3 | ||
1.494 | 1 | 4 | ||
H2Se2 | hydrogen diselenide | 1.465 | 1 | 3 |
1.465 | 2 | 4 |