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	hartrees
Energy at 0K	-2.149485
Energy at 298.15K	-2.149748
HF Energy	-2.149485
Nuclear repulsion energy	0.496104

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.733
Al2	0.000	0.000	1.467

	Na1	Al2
Na1		3.2000
Al2	3.2000

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	0.024
2	Al	-0.024

	x	y	z	Total
	0.000	0.000	-2.593	2.593
CHELPG
AIM
ESP

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

using model chemistry: B3LYP/CEP-121G*

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>	21.769
(<r²>)^1/2	4.666