Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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Bond type | Species | Name | Angle | Comment |
---|---|---|---|---|
aHCI | C2H5I | Ethyl iodide | 104.83 | |
aHCI | CH2FI | fluoroiodomethane | 107.00 | |
aHCI | CH3I | methyl iodide | 107.47 | |
Average | 106.43 | ±1.41 | ||
Min | 104.83 | |||
Max | 107.47 |