Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2=FULL/cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.70 | 1.70 | 1.71 | 1.71 | 1.72 | 1.72 | 1.73 | 1.73 | 1.74 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.724 | 0.011 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BCl | boron monochloride | 1.705 |
Highest value | BCl3 | Borane, trichloro- | 1.731 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BCl | boron monochloride | 1.705 | 1 | 2 |
BCl3 | Borane, trichloro- | 1.731 | 1 | 2 |
1.731 | 1 | 3 | ||
1.731 | 1 | 4 |