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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 H-N
17 01 10 14 40
PBEPBEultrafine/6-311+G(3df,2pd)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 2.10 are in the 2.10 bin.
Values less than 1.00 are in the 1.00 bin.
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14 |
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12 |
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10 |
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8 |
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6 |
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4 |
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2 |
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0 |
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1.00 |
1.10 |
1.20 |
1.30 |
1.40 |
1.50 |
1.60 |
1.70 |
1.80 |
1.90 |
2.00 |
2.10 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.124 |
0.275 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
1.010 |
Highest value |
H2ONH3 |
Water Ammonia Dimer |
1.919 |
Calculated Bond lengths
Click on entry for all calculated results.