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	hartrees
Energy at 0K	-214.719609
Energy at 298.15K	-214.718280
HF Energy	-214.719609
Nuclear repulsion energy	8.237148

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-2.313
Mg2	0.000	0.000	0.771

	Be1	Mg2
Be1		3.0837
Mg2	3.0837

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Be	-0.125
2	Mg	0.125

	x	y	z	Total
	0.000	0.000	0.889	0.889
CHELPG
AIM
ESP

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

using model chemistry: mPW1PW91/TZVP

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>	42.259
(<r²>)^1/2	6.501