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	hartrees
Energy at 0K	-249.882416
Energy at 298.15K
HF Energy	-249.882416
Nuclear repulsion energy	6.510134

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.576
Al2	0.000	0.000	0.594

	Li1	Al2
Li1		3.1701
Al2	3.1701

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.126
2	Al	-0.126

	x	y	z	Total
	0.000	0.000	-2.159	2.159
CHELPG
AIM
ESP

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

using model chemistry: B97D3/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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<r²>	36.692
(<r²>)^1/2	6.057