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	hartrees
Energy at 0K	-22.121333
Energy at 298.15K	-22.120132
HF Energy	-22.121333
Nuclear repulsion energy	2.460020

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.475
Be2	0.000	0.000	1.106

	Li1	Be2
Li1		2.5813
Be2	2.5813

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.045
2	Be	-0.045

	x	y	z	Total
	0.000	0.000	-2.851	2.851
CHELPG
AIM
ESP

All results from a given calculation for LiBe (Lithium Beryllium)

using model chemistry: PBE1PBE/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>	19.626
(<r²>)^1/2	4.430