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	hartrees
Energy at 0K	-249.376401
Energy at 298.15K
HF Energy	-249.291077
Nuclear repulsion energy	7.235642

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.318
Al2	0.000	0.000	0.535

	Li1	Al2
Li1		2.8525
Al2	2.8525

All results from a given calculation for LiAl (Lithium Aluminum)

using model chemistry: CCSD(T)=FULL/6-31G*

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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