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-C

B2PLYP=FULLultrafine/Sadlej_pVTZ

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

Values greater than 1.11 are in the 1.11 bin. Values less than 1.07 are in the 1.07 bin.

	6
	5
	4
	3
	2
	1
	0
		1.07			1.08			1.08			1.09			1.09			1.10			1.10			1.11			1.11
bond lengths (Å)