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

PBE1PBE/aug-cc-pVTZ

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

Values greater than 1.94 are in the 1.94 bin. Values less than 1.76 are in the 1.76 bin.

	5
	4
	3
	2
	1
	0
		1.76			1.78			1.80			1.82			1.84			1.86			1.88			1.90			1.92			1.94
bond lengths (Å)