Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/cc-pVTZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | 1.90 | 1.95 | 2.00 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.751 | 0.093 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BCl+ | boron monochloride cation | 1.608 |
Highest value | BCl- | boron monochloride anion | 1.928 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BCl- | boron monochloride anion | 1.928 | 1 | 2 |
BCl | boron monochloride | 1.728 | 1 | 2 |
BCl+ | boron monochloride cation | 1.608 | 1 | 2 |
BCl3 | Borane, trichloro- | 1.747 | 1 | 2 |
1.747 | 1 | 3 | ||
1.747 | 1 | 4 |