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	hartrees
Energy at 0K	-249.737138
Energy at 298.15K
HF Energy	-249.709642
Nuclear repulsion energy	7.185378

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.334
Al2	0.000	0.000	0.539

	Li1	Al2
Li1		2.8722
Al2	2.8722

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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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