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	hartrees
Energy at 0K	-249.762232
Energy at 298.15K
HF Energy	-249.762232
Nuclear repulsion energy	7.118052

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.356
Al2	0.000	0.000	0.544

	Li1	Al2
Li1		2.8994
Al2	2.8994

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.047
2	Al	-0.047

	x	y	z	Total
	0.000	0.000	-2.797	2.797
CHELPG
AIM
ESP

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

using model chemistry: HSEh1PBE/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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<r²>	32.235
(<r²>)^1/2	5.678