Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3/6-31+G**
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
2.17 | 2.17 | 2.17 | 2.18 | 2.18 | 2.18 | 2.18 | 2.18 | 2.18 | 2.18 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.179 | 0.003 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsCl | Arsenic monochloride | 2.174 |
Highest value | AsCl3 | Arsenous trichloride | 2.181 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsCl | Arsenic monochloride | 2.174 | 1 | 2 |
AsCl3 | Arsenous trichloride | 2.181 | 1 | 2 |
2.181 | 1 | 3 | ||
2.181 | 1 | 4 |