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	hartrees
Energy at 0K	-31.511924
Energy at 298.15K	-31.510700
HF Energy	-31.511924
Nuclear repulsion energy	4.013601

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.236
B2	0.000	0.000	0.742

	Li1	B2
Li1		1.9777
B2	1.9777

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	-0.238
2	B	0.238

	x	y	z	Total
	0.000	0.000	-2.118	2.118
CHELPG
AIM
ESP

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

using model chemistry: HF/STO-3G

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>	12.446
(<r²>)^1/2	3.528