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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 C-C
17 01 10 14 40
MP2=FULL/6-311+G(3df,2pd)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 1.60 are in the 1.60 bin.
Values less than 1.20 are in the 1.20 bin.
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1.20 |
1.25 |
1.30 |
1.35 |
1.40 |
1.45 |
1.50 |
1.55 |
1.60 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.422 |
0.109 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
C2H2 |
Acetylene |
1.209 |
Highest value |
C2H6 |
Ethane |
1.519 |
Calculated Bond lengths
Click on entry for all calculated results.