Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(T)/6-31+G**
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.41 | 1.41 | 1.42 | 1.42 | 1.42 | 1.42 | 1.42 | 1.43 | 1.43 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.416 | 0.005 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | PH3 | Phosphine | 1.412 |
Highest value | PH | phosphorus monohydride | 1.425 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
PH | phosphorus monohydride | 1.425 | 1 | 2 |
PH2 | Phosphino radical | 1.418 | 1 | 2 |
1.418 | 1 | 3 | ||
PH3 | Phosphine | 1.412 | 1 | 2 |
1.412 | 1 | 3 | ||
1.412 | 1 | 4 |