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	hartrees
Energy at 0K	-396.470616
Energy at 298.15K	-396.470454
HF Energy	-396.470616
Nuclear repulsion energy	23.914823

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	1.593
Mg2	0.000	0.000	-1.593

	Mg1	Mg2
Mg1		3.1864
Mg2	3.1864

Number	Element	Mulliken	CHELPG	AIM	ESP
1	Mg	0.000
2	Mg	0.000

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for Mg₂ (Magnesium diatomic)

using model chemistry: LSDA/3-21G*

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>	77.117
(<r²>)^1/2	8.782

All results from a given calculation for Mg2 (Magnesium diatomic)

using model chemistry: LSDA/3-21G*

States and conformations

All results from a given calculation for Mg₂ (Magnesium diatomic)