Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/6-31G
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
2.27 | 2.27 | 2.28 | 2.28 | 2.29 | 2.29 | 2.30 | 2.30 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.278 | 0.012 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | AsCl3 | Arsenous trichloride | 2.272 |
Highest value | AsCl | Arsenic monochloride | 2.299 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
AsCl | Arsenic monochloride | 2.299 | 1 | 2 |
AsCl3 | Arsenous trichloride | 2.272 | 1 | 2 |
2.272 | 1 | 3 | ||
2.272 | 1 | 4 |