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	hartrees
Energy at 0K	-404.400490
Energy at 298.15K	-404.400771
HF Energy	-404.381710
Nuclear repulsion energy	24.093594

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.701
Al2	0.000	0.000	1.440

	Na1	Al2
Na1		3.1408
Al2	3.1408

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	-0.030
2	Al	0.030

	x	y	z	Total
	0.000	0.000	-2.247	2.247
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/6-31+G**

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>	73.923
(<r²>)^1/2	8.598