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	hartrees
Energy at 0K	-214.603122
Energy at 298.15K	-214.601678
HF Energy	-214.584023
Nuclear repulsion energy	7.579485

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-2.513
Mg2	0.000	0.000	0.838

	Be1	Mg2
Be1		3.3512
Mg2	3.3512

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Be	-0.053
2	Mg	0.053

	x	y	z	Total
	0.000	0.000	0.302	0.302
CHELPG
AIM
ESP

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

using model chemistry: B2PLYP/cc-pVDZ

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>	46.631
(<r²>)^1/2	6.829