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-I

B1B95/STO-3G

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

Values greater than 2.30 are in the 2.30 bin. Values less than 1.95 are in the 1.95 bin.

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	1
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		1.95			2.00			2.05			2.10			2.15			2.20			2.25			2.30
bond lengths (Å)