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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-N
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 1.42 are in the 1.42 bin.
Values less than 1.22 are in the 1.22 bin.
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1.22 |
1.24 |
1.26 |
1.28 |
1.30 |
1.32 |
1.34 |
1.36 |
1.38 |
1.40 |
1.42 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.315 |
0.075 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
HBNH |
Boranimine |
1.240 |
Highest value |
BH2NH2 |
Boranamine |
1.390 |
Calculated Bond lengths
Click on entry for all calculated results.
Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
HBNH |
Boranimine |
1.240 |
1 |
2 |
BH2NH2 |
Boranamine |
1.390 |
1 |
2 |