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-H

QCISD(T)=FULL/aug-cc-pVTZ

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

Values greater than 5.50 are in the 5.50 bin. Values less than 1.00 are in the 1.00 bin.

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		1.00			1.50			2.00			2.50			3.00			3.50			4.00			4.50			5.00			5.50
bond lengths (Å)