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 Br-Br

MP4=FULL/6-311+G(3df,2p)

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

Values greater than 2.31 are in the 2.31 bin. Values less than 2.20 are in the 2.20 bin.

	5
	4
	3
	2
	1
	0
		2.20			2.21			2.22			2.23			2.24			2.25			2.26			2.27			2.28			2.29			2.30			2.31
bond lengths (Å)