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-S

HSEh1PBE/daug-cc-pVDZ

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

Values greater than 1.76 are in the 1.76 bin. Values less than 1.54 are in the 1.54 bin.

	5
	4
	3
	2
	1
	0
		1.54			1.56			1.58			1.60			1.62			1.64			1.66			1.68			1.70			1.72			1.74			1.76
bond lengths (Å)