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 Se-Si

QCISD(TQ)/cc-pVQZ

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

Values greater than 2.07 are in the 2.07 bin. Values less than 2.05 are in the 2.05 bin.

	5
	4
	3
	2
	1
	0
		2.05			2.06			2.06			2.06			2.06			2.06			2.07			2.07			2.07
bond lengths (Å)