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/cc-pVQZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.50 | 1.55 | 1.60 | 1.65 | 1.70 | 1.75 | 1.80 | 1.85 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.653 | 0.114 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CP | Carbon monophosphide | 1.507 |
Highest value | CH3PH3+ | methyl phosphine, protonated | 1.785 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CP | Carbon monophosphide | 1.507 | 1 | 2 |
CH2PH | Phosphaethene | 1.667 | 1 | 2 |
CH3PH3+ | methyl phosphine, protonated | 1.785 | 1 | 2 |