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	hartrees
Energy at 0K	-604.369304
Energy at 298.15K	-604.369863
HF Energy	-604.369304
Nuclear repulsion energy	8.937477

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-2.915
K2	0.000	0.000	0.460

	Li1	K2
Li1		3.3749
K2	3.3749

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	-0.273
2	K	0.273

	x	y	z	Total
	0.000	0.000	2.614	2.614
CHELPG
AIM
ESP

All results from a given calculation for LiK (Lithium Potassium)

using model chemistry: B3LYP/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>	45.932
(<r²>)^1/2	6.777