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 C-Cl

B2PLYP=FULLultrafine/aug-cc-pVTZ

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

Values greater than 1.82 are in the 1.82 bin. Values less than 1.58 are in the 1.58 bin.

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		1.58			1.60			1.62			1.64			1.66			1.68			1.70			1.72			1.74			1.76			1.78			1.80			1.82
bond lengths (Å)