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	hartrees
Energy at 0K	-399.937651
Energy at 298.15K	-399.937385
HF Energy	-399.937651
Nuclear repulsion energy	21.253139

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	1.793
Mg2	0.000	0.000	-1.793

	Mg1	Mg2
Mg1		3.5854
Mg2	3.5854

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: PBE1PBE/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>	93.152
(<r²>)^1/2	9.652

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

using model chemistry: PBE1PBE/aug-cc-pVTZ

States and conformations

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