Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/6-31G(2df,p)
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | 2.20 | 2.22 | 2.24 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.123 | 0.072 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | SiP- | Silicon monophosphide anion | 2.035 |
Highest value | SiP+ | Silicon monophosphide cation | 2.211 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
SiP- | Silicon monophosphide anion | 2.035 | 1 | 2 |
SiP | Silicon monophosphide | 2.122 | 1 | 2 |
SiP+ | Silicon monophosphide cation | 2.211 | 1 | 2 |