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	hartrees
Energy at 0K	-249.724260
Energy at 298.15K
HF Energy	-249.724260
Nuclear repulsion energy	7.077642

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.369
Al2	0.000	0.000	0.547

	Li1	Al2
Li1		2.9159
Al2	2.9159

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

	x	y	z	Total
	0.000	0.000	-2.259	2.259
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/Def2TZVPP

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>	32.539
(<r²>)^1/2	5.704