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	hartrees
Energy at 0K	-61.798797
Energy at 298.15K
HF Energy	-61.798797
Nuclear repulsion energy	5.881972

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.322
N2	0.000	0.000	0.567

	Li1	N2
Li1		1.8893
N2	1.8893

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.359
2	N	-0.359

	x	y	z	Total
	0.000	0.000	-5.467	5.467
CHELPG
AIM
ESP

All results from a given calculation for LiN (Lithium Nitride)

using model chemistry: TPSSh/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>	12.499
(<r²>)^1/2	3.535