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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 Br-H
17 01 10 14 40
B2PLYP=FULL/6-311+G(3df,2p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 2.50 are in the 2.50 bin.
Values less than 1.40 are in the 1.40 bin.
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1.40 |
1.50 |
1.60 |
1.70 |
1.80 |
1.90 |
2.00 |
2.10 |
2.20 |
2.30 |
2.40 |
2.50 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.625 |
0.370 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
HBr |
hydrogen bromide |
1.419 |
Highest value |
HBr- |
hydrogen bromide anion |
2.364 |
Calculated Bond lengths
Click on entry for all calculated results.