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*
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2.16 | 2.16 | 2.17 | 2.17 | 2.18 | 2.18 | 2.19 | 2.19 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.176 | 0.014 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CH3I | methyl iodide | 2.162 |
Highest value | CF3I | trifluoroiodomethane | 2.189 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3I | methyl iodide | 2.162 | 1 | 2 |
CF3I | trifluoroiodomethane | 2.189 | 1 | 2 |