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/6-31G
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4 | |||||||||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||||||||
1.79 | 1.79 | 1.79 | 1.79 | 1.80 | 1.80 | 1.80 | 1.80 | 1.80 | 1.81 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.798 | 0.005 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BClF2 | Chlorodifluoroborane | 1.789 |
Highest value | B2Cl4 | Diboron tetrachloride | 1.803 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BCl3 | Borane, trichloro- | 1.794 | 1 | 2 |
1.794 | 1 | 3 | ||
1.794 | 1 | 4 | ||
BClF2 | Chlorodifluoroborane | 1.789 | 1 | 2 |
B2Cl4 | Diboron tetrachloride | 1.803 | 1 | 3 |
1.803 | 1 | 4 | ||
1.803 | 2 | 5 | ||
1.803 | 2 | 6 |