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	hartrees
Energy at 0K	-15.016087
Energy at 298.15K	-15.015907
HF Energy	-15.016087
Nuclear repulsion energy	1.758343

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	1.354
Li2	0.000	0.000	-1.354

	Li1	Li2
Li1		2.7086
Li2	2.7086

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.000
2	Li	0.000

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for Li₂ (Lithium diatomic)

using model chemistry: B3LYP/cc-pCVDZ

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>	18.077
(<r²>)^1/2	4.252

All results from a given calculation for Li2 (Lithium diatomic)

using model chemistry: B3LYP/cc-pCVDZ

States and conformations

All results from a given calculation for Li₂ (Lithium diatomic)