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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 O-H
17 01 10 14 40
QCISD(T)/6-311+G(3df,2pd)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 0.97 are in the 0.97 bin.
Values less than 0.96 are in the 0.96 bin.
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0.96 |
0.96 |
0.96 |
0.96 |
0.96 |
0.96 |
0.96 |
0.97 |
0.97 |
0.97 |
0.97 |
0.97 |
0.97 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
0.963 |
0.005 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
H2O |
Water |
0.959 |
Highest value |
OH |
Hydroxyl radical |
0.971 |
Calculated Bond lengths
Click on entry for all calculated results.
Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
OH |
Hydroxyl radical |
0.971 |
1 |
2 |
H2O |
Water |
0.959 |
1 |
2 |
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0.959 |
1 |
3 |