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	hartrees
Energy at 0K	-22.061238
Energy at 298.15K	-22.059994
HF Energy	-22.011075
Nuclear repulsion energy	2.428983

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.494
Be2	0.000	0.000	1.121

	Li1	Be2
Li1		2.6150
Be2	2.6150

All results from a given calculation for LiBe (Lithium Beryllium)

using model chemistry: QCISD(T)/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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