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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-Si
17 01 10 14 40
QCISD(TQ)=FULL/6-311+G(3df,2p)
Histogram of Bond lengths (in Å) vs number of species
Values greater than 1.48 are in the 1.48 bin.
Values less than 1.46 are in the 1.46 bin.
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1.46 |
1.46 |
1.47 |
1.47 |
1.47 |
1.47 |
1.47 |
1.48 |
1.48 |
1.48 |
1.48 |
bond lengths (Å) |
Summary: (Å)
Average bond length |
Standard deviation |
1.470 |
0.007 |
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Species |
Name |
Bond Length (Å) |
Lowest value |
SiH3+ |
Silyl cation |
1.464 |
Highest value |
SiH2D2 |
silane-d2 |
1.478 |
Calculated Bond lengths
Click on entry for all calculated results.
Species |
Name |
Bond Length (Å) |
Atom1 index |
Atom2 index |
SiH3+ |
Silyl cation |
1.464 |
1 |
2 |
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1.464 |
1 |
3 |
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1.464 |
1 |
4 |
SiH2D2 |
silane-d2 |
1.478 |
1 |
2 |
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1.478 |
1 |
3 |