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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 B-B
17 01 10 14 40
CCSD(T)=FULL/6-311+G(3df,2p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 1.68 are in the 1.68 bin.
Values less than 1.50 are in the 1.50 bin.
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1.50 |
1.52 |
1.54 |
1.56 |
1.58 |
1.60 |
1.62 |
1.64 |
1.66 |
1.68 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.579 |
0.055 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
HBBH |
Diborane(2) |
1.510 |
Highest value |
B2H4 |
Diborane(4) D2d |
1.646 |
Calculated Bond lengths
Click on entry for all calculated results.