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	hartrees
Energy at 0K	-62.064579
Energy at 298.15K
HF Energy	-62.027493
Nuclear repulsion energy	5.869548

Atom	x (Å)	y (Å)	z (Å)
Li1	0.000	0.000	-1.325
N2	0.000	0.000	0.568

	Li1	N2
Li1		1.8933
N2	1.8933

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Li	0.468
2	N	-0.468

	x	y	z	Total
	0.000	0.000	-6.270	6.270
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/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>	12.029
(<r²>)^1/2	3.468