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	hartrees
Energy at 0K	-362.123433
Energy at 298.15K	-362.123770
HF Energy	-362.123433
Nuclear repulsion energy	20.752741

Atom	x (Å)	y (Å)	z (Å)
Na1	0.000	0.000	-1.756
Mg2	0.000	0.000	1.610

	Na1	Mg2
Na1		3.3659
Mg2	3.3659

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Na	-0.097
2	Mg	0.097

	x	y	z	Total
	0.000	0.000	-1.034	1.034
CHELPG
AIM
ESP

All results from a given calculation for NaMg (Sodium Magnesium)

using model chemistry: PBEPBE/aug-cc-pVTZ

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>	79.705
(<r²>)^1/2	8.928