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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 H-B
17 01 10 14 40
QCISD(T)=FULL/6-311+G(3df,2p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 1.38 are in the 1.38 bin.
Values less than 1.16 are in the 1.16 bin.
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12 |
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10 |
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8 |
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6 |
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4 |
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2 |
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0 |
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1.16 |
1.18 |
1.20 |
1.22 |
1.24 |
1.26 |
1.28 |
1.30 |
1.32 |
1.34 |
1.36 |
1.38 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.227 |
0.057 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
HBO |
Boron hydride oxide |
1.168 |
Highest value |
B2H6+ |
Diborane cation |
1.357 |
Calculated Bond lengths
Click on entry for all calculated results.