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/cc-pVQZ
12 | ||||||||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.38 | 1.39 | 1.40 | 1.41 | 1.42 | 1.43 | 1.44 | 1.45 | 1.46 | 1.47 | 1.48 | 1.49 | 1.50 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.408 | 0.029 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH3PH3+ | methyl phosphine, protonated | 1.385 |
Highest value | PH4 | Phosphoranyl radical | 1.499 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PH- | phosphorus monohydride anion | 1.427 | 1 | 2 |
PH | phosphorus monohydride | 1.413 | 1 | 2 |
PH2- | Phosphino anion | 1.420 | 1 | 2 |
1.420 | 1 | 3 | ||
PH2+ | Phosphino cation | 1.410 | 1 | 2 |
1.410 | 1 | 3 | ||
PH3+ | Phosphine cation | 1.387 | 1 | 2 |
1.387 | 1 | 3 | ||
1.387 | 1 | 4 | ||
PH4 | Phosphoranyl radical | 1.499 | 1 | 2 |
1.499 | 1 | 3 | ||
1.394 | 1 | 4 | ||
1.394 | 1 | 5 | ||
CH2PH | Phosphaethene | 1.411 | 2 | 5 |
H3PO | Phosphine oxide | 1.398 | 1 | 3 |
1.398 | 1 | 4 | ||
1.398 | 1 | 5 | ||
H2POH | Phosphinous acid | 1.406 | 1 | 4 |
1.406 | 1 | 5 | ||
BH3PH3 | borane phosphine | 1.392 | 2 | 6 |
1.392 | 2 | 7 | ||
1.392 | 2 | 8 | ||
CH3PH3+ | methyl phosphine, protonated | 1.385 | 2 | 6 |
1.385 | 2 | 7 | ||
1.385 | 2 | 8 |