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	hartrees
Energy at 0K	-296.861656
Energy at 298.15K	-296.861598
HF Energy	-296.805651
Nuclear repulsion energy	26.591900

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.634
N2	0.000	0.000	-1.177

	Al1	N2
Al1		1.8109
N2	1.8109

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.336
2	N	-0.336

	x	y	z
x	4.964	0.000	0.000
y	0.000	-3.304	0.000
z	0.000	0.000	10.679

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

using model chemistry: B2PLYP/6-31+G**

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>	26.608
(<r²>)^1/2	5.158