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 C-Br

LSDA/6-31G

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

Values greater than 1.98 are in the 1.98 bin. Values less than 1.74 are in the 1.74 bin.

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		1.74			1.76			1.78			1.80			1.82			1.84			1.86			1.88			1.90			1.92			1.94			1.96			1.98
bond lengths (Å)