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	hartrees
Energy at 0K	-32.109966
Energy at 298.15K	-32.108638
HF Energy	-32.109966
Nuclear repulsion energy	3.648017

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.360
B2	0.000	0.000	0.816

	Li1	B2
Li1		2.1759
B2	2.1759

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.139
2	B	-0.139

	x	y	z	Total
	0.000	0.000	-4.115	4.115
CHELPG
AIM
ESP

All results from a given calculation for LiB (Lithium boride)

using model chemistry: PBEPBE/6-31G

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>	15.453
(<r²>)^1/2	3.931