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	hartrees
Energy at 0K	-249.744976
Energy at 298.15K
HF Energy	-249.725904
Nuclear repulsion energy	7.169444

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.339
Al2	0.000	0.000	0.540

	Li1	Al2
Li1		2.8786
Al2	2.8786

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.015
2	Al	-0.015

	x	y	z	Total
	0.000	0.000	-2.608	2.608
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/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>	32.173
(<r²>)^1/2	5.672