Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Compare Calculated Bonds for B-Li

CCSD(T)=FULL/aug-cc-pVDZ

Histogram of Bond lengths (in Å) vs number of species

Values greater than 2.14 are in the 2.14 bin. Values less than 1.92 are in the 1.92 bin.

	5
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	1
	0
		1.92			1.94			1.96			1.98			2.00			2.02			2.04			2.06			2.08			2.10			2.12			2.14
bond lengths (Å)