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 H-Br

ROHF/TZVP

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

Values greater than 4.50 are in the 4.50 bin. Values less than 1.00 are in the 1.00 bin.

	5
	4
	3
	2
	1
	0
		1.00			1.50			2.00			2.50			3.00			3.50			4.00			4.50
bond lengths (Å)