Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/cc-pCVTZ
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.19 | 1.19 | 1.19 | 1.19 | 1.20 | 1.20 | 1.20 | 1.20 | 1.20 | 1.21 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.197 | 0.007 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | BH3 | boron trihydride | 1.190 |
Highest value | BH3CO | Borane carbonyl | 1.204 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BH3 | boron trihydride | 1.190 | 1 | 2 |
1.190 | 1 | 3 | ||
1.190 | 1 | 4 | ||
BH3CO | Borane carbonyl | 1.204 | 1 | 4 |
1.204 | 1 | 5 | ||
1.204 | 1 | 6 |