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/6-311G*
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2.00 | 2.02 | 2.04 | 2.06 | 2.08 | 2.10 | 2.12 | 2.14 | 2.16 | 2.18 | 2.20 | 2.22 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
2.152 | 0.052 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ICN | Cyanogen iodide | 2.017 |
Highest value | CCl3I | trichloroiodomethane | 2.198 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3I | methyl iodide | 2.162 | 1 | 2 |
ICN | Cyanogen iodide | 2.017 | 1 | 2 |
CH2I2 | Diiodomethane | 2.158 | 1 | 2 |
2.158 | 1 | 3 | ||
CH2FI | fluoroiodomethane | 2.171 | 1 | 3 |
C2H5I | Ethyl iodide | 2.180 | 1 | 3 |
CCl3I | trichloroiodomethane | 2.198 | 1 | 2 |
CF3I | trifluoroiodomethane | 2.168 | 1 | 2 |