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 N-Br

M06-2X/6-31G*

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

Values greater than 1.92 are in the 1.92 bin. Values less than 1.80 are in the 1.80 bin.

	5
	4
	3
	2
	1
	0
		1.80			1.81			1.82			1.83			1.84			1.85			1.86			1.87			1.88			1.89			1.90			1.91			1.92
bond lengths (Å)