|
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 Al-F
17 01 10 14 40
PBEPBEultrafine/6-311+G(3df,2p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 1.70 are in the 1.70 bin.
Values less than 1.65 are in the 1.65 bin.
|
5 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
4 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
3 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
2 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
1 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
0 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| |
1.65 |
1.65 |
1.66 |
1.66 |
1.67 |
1.67 |
1.68 |
1.68 |
1.69 |
1.69 |
1.70 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.662 |
0.018 |
|
Species |
Name |
Bond Length (Å) |
Lowest value |
AlF3 |
Aluminum trifluoride |
1.652 |
Highest value |
AlF |
Aluminum monofluoride |
1.693 |
Calculated Bond lengths
Click on entry for all calculated results.