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 I-C

PM3

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

Values greater than 2.08 are in the 2.08 bin. Values less than 1.90 are in the 1.90 bin.

	5
	4
	3
	2
	1
	0
		1.90			1.92			1.94			1.96			1.98			2.00			2.02			2.04			2.06			2.08
bond lengths (Å)