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	hartrees
Energy at 0K	-297.056854
Energy at 298.15K	-297.056811
HF Energy	-297.056854
Nuclear repulsion energy	26.917190

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.626
N2	0.000	0.000	-1.163

	Al1	N2
Al1		1.7890
N2	1.7890

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.285
2	N	-0.285

	x	y	z	Total
	0.000	0.000	2.539	2.539
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/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>	25.902
(<r²>)^1/2	5.089