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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 Na-Na
17 01 10 14 40
B3LYPultrafine/6-311+G(3df,2p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 3.55 are in the 3.55 bin.
Values less than 3.00 are in the 3.00 bin.
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3.00 |
3.05 |
3.10 |
3.15 |
3.20 |
3.25 |
3.30 |
3.35 |
3.40 |
3.45 |
3.50 |
3.55 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
3.250 |
0.211 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
Na2 |
Sodium diatomic |
3.039 |
Highest value |
Na2- |
sodium diatomic anion |
3.462 |
Calculated Bond lengths
Click on entry for all calculated results.