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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-H
17 01 10 14 40
CCSD=FULL/6-311+G(3df,2p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 1.50 are in the 1.50 bin.
Values less than 1.15 are in the 1.15 bin.
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25 |
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20 |
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15 |
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10 |
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5 |
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0 |
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1.15 |
1.20 |
1.25 |
1.30 |
1.35 |
1.40 |
1.45 |
1.50 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.241 |
0.070 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
HBNH |
Boranimine |
1.167 |
Highest value |
B2H6+ |
Diborane cation |
1.412 |
Calculated Bond lengths
Click on entry for all calculated results.