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	hartrees
Energy at 0K	-31.980837
Energy at 298.15K	-31.979519
HF Energy	-31.980837
Nuclear repulsion energy	3.613226

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.373
B2	0.000	0.000	0.824

	Li1	B2
Li1		2.1968
B2	2.1968

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.331
2	B	-0.331

	x	y	z	Total
	0.000	0.000	-5.196	5.196
CHELPG
AIM
ESP

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

using model chemistry: B3PW91/3-21G*

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>	15.435
(<r²>)^1/2	3.929