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	hartrees
Energy at 0K	-296.294612
Energy at 298.15K	-296.294548
HF Energy	-296.294612
Nuclear repulsion energy	26.396057

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.639
N2	0.000	0.000	-1.186

	Al1	N2
Al1		1.8243
N2	1.8243

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.399
2	N	-0.399

	x	y	z	Total
	0.000	0.000	1.686	1.686
CHELPG
AIM
ESP

All results from a given calculation for AlN (Aluminum nitride)

using model chemistry: HF/6-311+G(3df,2p)

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>	26.957
(<r²>)^1/2	5.192