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	hartrees
Energy at 0K	-14.955855
Energy at 298.15K	-14.955662
HF Energy	-14.955855
Nuclear repulsion energy	1.745716

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	1.364
Li2	0.000	0.000	-1.364

	Li1	Li2
Li1		2.7282
Li2	2.7282

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: PBEPBE/cc-pCVTZ

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>	18.284
(<r²>)^1/2	4.276

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

using model chemistry: PBEPBE/cc-pCVTZ

States and conformations

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