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	hartrees
Energy at 0K	-214.586465
Energy at 298.15K	-214.585213
HF Energy	-214.586465
Nuclear repulsion energy	8.599746

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-2.215
Mg2	0.000	0.000	0.738

	Be1	Mg2
Be1		2.9536
Mg2	2.9536

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Be	-0.083
2	Mg	0.083

	x	y	z	Total
	0.000	0.000	0.737	0.737
CHELPG
AIM
ESP

All results from a given calculation for BeMg (Beryllium Magnesium)

using model chemistry: PBEPBEultrafine/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>	39.194
(<r²>)^1/2	6.260