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=FULLultrafine/3-21G*
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.67 | 1.67 | 1.68 | 1.68 | 1.69 | 1.69 | 1.70 | 1.70 | 1.71 | 1.71 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.680 | 0.015 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeO2 | Selenium dioxide | 1.671 |
Highest value | SeO | Selenium monoxide | 1.709 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO | Selenium monoxide | 1.709 | 1 | 2 |
SeO2 | Selenium dioxide | 1.671 | 1 | 2 |
1.671 | 1 | 3 | ||
SeO2+ | Selenium dioxide cation | 1.675 | 1 | 2 |
1.675 | 1 | 3 |