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 Ca-Cl

MP3=FULL/6-31+G**

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

Values greater than 2.57 are in the 2.57 bin. Values less than 2.53 are in the 2.53 bin.

	5
	4
	3
	2
	1
	0
		2.53			2.53			2.54			2.54			2.55			2.55			2.56			2.56			2.57			2.57
bond lengths (Å)