|
Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
|
|
You are here: Calculated > Geometry > Calculated geometry > One type of bond
|
Compare Calculated Bonds for C-O
17 01 10 14 40
CCSD(T)=FULL/6-311+G(3df,2pd)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 1.22 are in the 1.22 bin.
Values less than 1.13 are in the 1.13 bin.
|
5 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
4 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
3 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
2 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
0 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| |
1.13 |
1.14 |
1.15 |
1.16 |
1.17 |
1.18 |
1.19 |
1.20 |
1.21 |
1.22 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.165 |
0.027 |
|
Species |
Name |
Bond Length (Å) |
Lowest value |
CO |
Carbon monoxide |
1.131 |
Highest value |
H2CO |
Formaldehyde |
1.206 |
Calculated Bond lengths
Click on entry for all calculated results.