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	hartrees
Energy at 0K	-295.969213
Energy at 298.15K	-295.969189
HF Energy	-295.969213
Nuclear repulsion energy	27.314005

Atom	x (Å)	y (Å)	z (Å)
Al1	0.000	0.000	0.617
N2	0.000	0.000	-1.146

	Al1	N2
Al1		1.7630
N2	1.7630

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Al	0.274
2	N	-0.274

	x	y	z	Total
	0.000	0.000	2.810	2.810
CHELPG
AIM
ESP

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

using model chemistry: LSDA/cc-pV(T+d)Z

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>	25.504
(<r²>)^1/2	5.050