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	hartrees
Energy at 0K	-402.385963
Energy at 298.15K	-402.386241
HF Energy	-402.385963
Nuclear repulsion energy	24.103488

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.701
Al2	0.000	0.000	1.439

	Na1	Al2
Na1		3.1395
Al2	3.1395

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.050
2	Al	-0.050

	x	y	z	Total
	0.000	0.000	-1.923	1.923
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/3-21G*

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>	73.721
(<r²>)^1/2	8.586