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	hartrees
Energy at 0K	-249.915733
Energy at 298.15K
HF Energy	-249.915733
Nuclear repulsion energy	7.151421

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.345
Al2	0.000	0.000	0.541

	Li1	Al2
Li1		2.8858
Al2	2.8858

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	-0.160
2	Al	0.160

	x	y	z	Total
	0.000	0.000	-2.671	2.671
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/daug-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>	32.180
(<r²>)^1/2	5.673