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	hartrees
Energy at 0K	-404.640436
Energy at 298.15K	-404.640669
HF Energy	-404.640436
Nuclear repulsion energy

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.842
Al2	0.000	0.000	1.558

	Na1	Al2
Na1		3.4000
Al2	3.4000

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	-0.047
2	Al	0.047

	x	y	z	Total
	0.000	0.000	-1.938	1.938
CHELPG
AIM
ESP

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

using model chemistry: B97D3/aug-cc-pVQZ

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>	84.120
(<r²>)^1/2	9.172