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	hartrees
Energy at 0K	-404.654842
Energy at 298.15K	-404.655119
HF Energy	-404.654842
Nuclear repulsion energy	23.817817

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.721
Al2	0.000	0.000	1.456

	Na1	Al2
Na1		3.1771
Al2	3.1771

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	-0.020
2	Al	0.020

	x	y	z	Total
	0.000	0.000	-2.974	2.974
CHELPG
AIM
ESP

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

using model chemistry: TPSSh/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>	75.032
(<r²>)^1/2	8.662