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 O-F

ROHF/6-311G**

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

Values greater than 1.33 are in the 1.33 bin. Values less than 1.31 are in the 1.31 bin.

	5
	4
	3
	2
	1
	0
		1.31			1.31			1.31			1.31			1.32			1.32			1.32			1.32			1.32			1.33			1.33			1.33			1.33
bond lengths (Å)