Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD=FULL/cc-pVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.74 | 1.74 | 1.74 | 1.74 | 1.74 | 1.74 | 1.74 | 1.74 | 1.74 | 1.74 | 1.74 | ||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.741 | 0.002 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BCl3 | Borane, trichloro- | 1.739 |
Highest value | B2Cl4 | Diboron tetrachloride | 1.743 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BCl3 | Borane, trichloro- | 1.739 | 1 | 2 |
1.739 | 1 | 3 | ||
1.739 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.741 | 1 | 2 |
B2Cl4 | Diboron tetrachloride | 1.743 | 1 | 3 |
1.743 | 1 | 4 | ||
1.743 | 2 | 5 | ||
1.743 | 2 | 6 |