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 P-S

HF/cc-pVTZ

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

Values greater than 2.02 are in the 2.02 bin. Values less than 1.78 are in the 1.78 bin.

	5
	4
	3
	2
	1
	0
		1.78			1.80			1.82			1.84			1.86			1.88			1.90			1.92			1.94			1.96			1.98			2.00			2.02
bond lengths (Å)