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	hartrees
Energy at 0K	-249.377186
Energy at 298.15K
HF Energy	-249.307561
Nuclear repulsion energy	7.239102

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.316
Al2	0.000	0.000	0.535

	Li1	Al2
Li1		2.8509
Al2	2.8509

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

using model chemistry: CID/6-311G*

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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