Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B3PW91/STO-3G
7 | |||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.758 | 0.078 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SeO+ | selenium monoxide cation | 1.664 |
Highest value | H2SeO4 | Selenic acid | 1.932 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SeO- | selenium monoxide anion | 1.840 | 1 | 2 |
SeO | Selenium monoxide | 1.718 | 1 | 2 |
SeO+ | selenium monoxide cation | 1.664 | 1 | 2 |
SeO2 | Selenium dioxide | 1.730 | 1 | 2 |
1.730 | 1 | 3 | ||
SeO2+ | Selenium dioxide cation | 1.740 | 1 | 2 |
1.740 | 1 | 3 | ||
SeO3 | selenium trioxide | 1.741 | 1 | 2 |
1.741 | 1 | 3 | ||
1.741 | 1 | 4 | ||
SeOCl2 | selenium oxychloride | 1.677 | 1 | 2 |
H2SeO4 | Selenic acid | 1.720 | 1 | 2 |
1.720 | 1 | 3 | ||
1.932 | 1 | 4 | ||
1.932 | 1 | 5 |