Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/CEP-121G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.242 | 0.098 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CO | Carbon monoxide | 1.163 |
Highest value | C4H10O | 1-Propanol, 2-methyl- | 1.455 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CO | Carbon monoxide | 1.163 | 1 | 2 |
H2CO | Formaldehyde | 1.238 | 1 | 2 |
CO2 | Carbon dioxide | 1.194 | 1 | 2 |
1.194 | 1 | 3 | ||
HFCO | formyl fluoride | 1.209 | 1 | 2 |
C4H10O | 1-Propanol, 2-methyl- | 1.455 | 2 | 5 |