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-P

PBE1PBE/6-31G*

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

Values greater than 1.66 are in the 1.66 bin. Values less than 1.42 are in the 1.42 bin.

	6
	5
	4
	3
	2
	1
	0
		1.42			1.44			1.46			1.48			1.50			1.52			1.54			1.56			1.58			1.60			1.62			1.64			1.66
bond lengths (Å)