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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 O-Br
17 01 10 14 40
B2PLYP=FULLultrafine/6-31G(2df,p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 1.72 are in the 1.72 bin.
Values less than 1.62 are in the 1.62 bin.
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1.62 |
1.63 |
1.64 |
1.65 |
1.66 |
1.67 |
1.68 |
1.69 |
1.70 |
1.71 |
1.72 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.652 |
0.029 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
BrO+ |
Bromine monoxide cation |
1.628 |
Highest value |
BrO |
Bromine monoxide |
1.701 |
Calculated Bond lengths
Click on entry for all calculated results.