Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/aug-cc-pVQZ
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.41 | 1.42 | 1.42 | 1.43 | 1.43 | 1.44 | 1.44 | 1.45 | 1.45 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.433 | 0.013 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PH3+ | Phosphine cation | 1.416 |
Highest value | PH- | phosphorus monohydride anion | 1.446 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PH- | phosphorus monohydride anion | 1.446 | 1 | 2 |
PH2- | Phosphino anion | 1.440 | 1 | 2 |
1.440 | 1 | 3 | ||
PH2+ | Phosphino cation | 1.444 | 1 | 2 |
1.444 | 1 | 3 | ||
PH3+ | Phosphine cation | 1.416 | 1 | 2 |
1.416 | 1 | 3 | ||
1.416 | 1 | 4 |