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	hartrees
Energy at 0K	-249.874694
Energy at 298.15K
HF Energy	-249.874694
Nuclear repulsion energy	6.496631

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.581
Al2	0.000	0.000	0.596

	Li1	Al2
Li1		3.1767
Al2	3.1767

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.013
2	Al	-0.013

	x	y	z	Total
	0.000	0.000	-1.858	1.858
CHELPG
AIM
ESP

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

using model chemistry: B97D3/cc-pVDZ

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>	36.772
(<r²>)^1/2	6.064