Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4=FULL/3-21G
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
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1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.68 | 1.69 | 1.69 | 1.70 | 1.70 | 1.71 | 1.71 | 1.72 | 1.72 | 1.73 | 1.73 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.709 | 0.016 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeO3 | selenium trioxide | 1.689 |
Highest value | SeO2 | Selenium dioxide | 1.727 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO | Selenium monoxide | 1.714 | 1 | 2 |
SeO2 | Selenium dioxide | 1.727 | 1 | 2 |
1.727 | 1 | 3 | ||
SeO2+ | Selenium dioxide cation | 1.720 | 1 | 2 |
1.720 | 1 | 3 | ||
SeO3 | selenium trioxide | 1.689 | 1 | 2 |
1.689 | 1 | 3 | ||
1.689 | 1 | 4 |