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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 Li-F
17 01 10 14 40
B2PLYP=FULLultrafine/6-31G(2df,p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 2.05 are in the 2.05 bin.
Values less than 1.55 are in the 1.55 bin.
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1.55 |
1.60 |
1.65 |
1.70 |
1.75 |
1.80 |
1.85 |
1.90 |
1.95 |
2.00 |
2.05 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.743 |
0.127 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
LiF |
lithium fluoride |
1.567 |
Highest value |
LiF+ |
lithium fluoride cation |
1.997 |
Calculated Bond lengths
Click on entry for all calculated results.