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	hartrees
Energy at 0K	-150.177880
Energy at 298.15K	-150.177867
HF Energy	-150.177880
Nuclear repulsion energy	26.311401

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.644
O2	0.000	0.000	-0.644

	O1	O2
O1		1.2872
O2	1.2872

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

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

All results from a given calculation for O₂ (Oxygen diatomic)

using model chemistry: PBEPBE/LANL2DZ

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>	13.030
(<r²>)^1/2	3.610

All results from a given calculation for O2 (Oxygen diatomic)

using model chemistry: PBEPBE/LANL2DZ

States and conformations

All results from a given calculation for O₂ (Oxygen diatomic)