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	hartrees
Energy at 0K	-404.388412
Energy at 298.15K	-404.388683
HF Energy	-404.388412
Nuclear repulsion energy	24.012449

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.707
Al2	0.000	0.000	1.444

	Na1	Al2
Na1		3.1514
Al2	3.1514

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.087
2	Al	-0.087

	x	y	z	Total
	0.000	0.000	-1.933	1.933
CHELPG
AIM
ESP

All results from a given calculation for NaAl (Sodium aluminum)

using model chemistry: PBEPBE/6-31G(2df,p)

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>	74.076
(<r²>)^1/2	8.607