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	hartrees
Energy at 0K	-400.102721
Energy at 298.15K	-400.102417
HF Energy	-400.102721
Nuclear repulsion energy	20.119965

Atom	x (Å)	y (Å)	z (Å)
Mg1	0.000	0.000	1.894
Mg2	0.000	0.000	-1.894

	Mg1	Mg2
Mg1		3.7874
Mg2	3.7874

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: M06-2X/aug-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>	101.674
(<r²>)^1/2	10.083

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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