Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/TZVP
12 | |||||||||||||||||||||||||
10 | |||||||||||||||||||||||||
8 | |||||||||||||||||||||||||
6 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.593 | 0.067 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeO+ | selenium monoxide cation | 1.529 |
Highest value | SeO- | selenium monoxide anion | 1.773 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO- | selenium monoxide anion | 1.773 | 1 | 2 |
SeO | Selenium monoxide | 1.601 | 1 | 2 |
SeO+ | selenium monoxide cation | 1.529 | 1 | 2 |
SeO2 | Selenium dioxide | 1.561 | 1 | 2 |
1.561 | 1 | 3 | ||
SeO2+ | Selenium dioxide cation | 1.570 | 1 | 2 |
1.570 | 1 | 3 | ||
SeO3 | selenium trioxide | 1.553 | 1 | 2 |
1.553 | 1 | 3 | ||
1.553 | 1 | 4 | ||
SeOCl2 | selenium oxychloride | 1.566 | 1 | 2 |
H2SeO4 | Selenic acid | 1.560 | 1 | 2 |
1.560 | 1 | 3 | ||
1.692 | 1 | 4 | ||
1.692 | 1 | 5 |