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	hartrees
Energy at 0K	-214.772622
Energy at 298.15K	-214.771261
HF Energy	-214.772622
Nuclear repulsion energy	8.095040

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-2.353
Mg2	0.000	0.000	0.784

	Be1	Mg2
Be1		3.1378
Mg2	3.1378

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Be	-0.088
2	Mg	0.088

	x	y	z	Total
	0.000	0.000	0.569	0.569
CHELPG
AIM
ESP

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

using model chemistry: B3LYPultrafine/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>	42.489
(<r²>)^1/2	6.518