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-N

PBEPBE/3-21G*

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

Values greater than 1.80 are in the 1.80 bin. Values less than 1.00 are in the 1.00 bin.

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		1.00			1.10			1.20			1.30			1.40			1.50			1.60			1.70			1.80
bond lengths (Å)