Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/LANL2DZ
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
2.00 | 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 |
---|---|
2.164 | 0.041 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | ICN | Cyanogen iodide | 2.009 |
Highest value | C2H5I | Ethyl iodide | 2.205 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CH3I | methyl iodide | 2.180 | 1 | 2 |
ICN | Cyanogen iodide | 2.009 | 1 | 2 |
CH2I2 | Diiodomethane | 2.165 | 1 | 2 |
2.165 | 1 | 3 | ||
CH2FI | fluoroiodomethane | 2.164 | 1 | 3 |
CH2BrI | bromoiodomethane | 2.161 | 1 | 3 |
CH2ClI | chloroiodomethane | 2.157 | 1 | 3 |
C2H3I | Vinyl iodide | 2.122 | 1 | 3 |
C2H5I | Ethyl iodide | 2.205 | 1 | 3 |
CHFClI | fluorochloroiodomethane | 2.151 | 1 | 5 |
CI4 | tetraiodomethane | 2.202 | 1 | 2 |
2.202 | 1 | 3 | ||
2.202 | 1 | 4 | ||
2.202 | 1 | 5 | ||
CCl3I | trichloroiodomethane | 2.167 | 1 | 2 |
CCl2I2 | dichlorodiiodomethane | 2.178 | 1 | 4 |
2.178 | 1 | 5 | ||
CFClBrI | fluorochlorobromoiodomethane | 2.165 | 1 | 5 |
CF2I2 | difluorodiiodomethane | 2.165 | 1 | 4 |
2.165 | 1 | 5 | ||
CF3I | trifluoroiodomethane | 2.143 | 1 | 2 |