Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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PM6
7 | ||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | 1.58 | 1.60 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.482 | 0.048 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PH- | phosphorus monohydride anion | 1.451 |
Highest value | PH4 | Phosphoranyl radical | 1.572 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PH- | phosphorus monohydride anion | 1.451 | 1 | 2 |
PH | phosphorus monohydride | 1.454 | 1 | 2 |
PH+ | phosphorus monohydride cation | 1.465 | 1 | 2 |
PH4 | Phosphoranyl radical | 1.572 | 1 | 2 |
1.572 | 1 | 3 | ||
1.454 | 1 | 4 | ||
1.454 | 1 | 5 | ||
H2POH | Phosphinous acid | 1.457 | 1 | 4 |
1.457 | 1 | 5 |