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	hartrees
Energy at 0K	-296.877014
Energy at 298.15K	-296.876974
HF Energy	-296.877014
Nuclear repulsion energy	26.872005

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.627
N2	0.000	0.000	-1.165

	Al1	N2
Al1		1.7920
N2	1.7920

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.258
2	N	-0.258

	x	y	z	Total
	0.000	0.000	2.662	2.662
CHELPG
AIM
ESP

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

using model chemistry: PBEPBE/cc-pCVTZ

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>	26.018
(<r²>)^1/2	5.101