Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/6-311G*
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1.17 | 1.18 | 1.19 | 1.20 | 1.21 | 1.22 | 1.23 | 1.24 | 1.25 | 1.26 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.198 | 0.020 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | HBO | Boron hydride oxide | 1.175 |
Highest value | BH | Boron monohydride | 1.245 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
BH | Boron monohydride | 1.245 | 1 | 2 |
BH2 | boron dihydride | 1.196 | 1 | 2 |
1.196 | 1 | 3 | ||
BH3 | boron trihydride | 1.198 | 1 | 2 |
1.198 | 1 | 3 | ||
1.198 | 1 | 4 | ||
HBO | Boron hydride oxide | 1.175 | 1 | 2 |
HBS | hydrogen boron sulfide | 1.180 | 1 | 2 |