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Computational Chemistry Comparison and Benchmark DataBase
Release 22 (May 2022) Standard Reference Database 101
National Institute of Standards and Technology
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You are here: Calculated > Geometry > Calculated geometry > One type of bond
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Compare Calculated Bonds for F-Al
17 01 10 14 40
B3LYPultrafine/6-31G(2df,p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 1.66 are in the 1.66 bin.
Values less than 1.63 are in the 1.63 bin.
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1.63 |
1.63 |
1.64 |
1.64 |
1.65 |
1.65 |
1.66 |
1.66 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.639 |
0.012 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
AlF3 |
Aluminum trifluoride |
1.632 |
Highest value |
AlF |
Aluminum monofluoride |
1.660 |
Calculated Bond lengths
Click on entry for all calculated results.