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	hartrees
Energy at 0K	-296.914897
Energy at 298.15K	-296.914844
HF Energy	-296.847015
Nuclear repulsion energy	26.688909

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.632
N2	0.000	0.000	-1.173

	Al1	N2
Al1		1.8043
N2	1.8043

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.324
2	N	-0.324

	x	y	z
x	-1.883	0.000	0.000
y	0.000	5.587	0.000
z	0.000	0.000	9.300

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

using model chemistry: B2PLYP/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>	26.316
(<r²>)^1/2	5.130