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	hartrees
Energy at 0K	-149.481991
Energy at 298.15K	-149.481979
HF Energy	-149.481991
Nuclear repulsion energy	26.042069

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.650
O2	0.000	0.000	-0.650

	O1	O2
O1		1.3005
O2	1.3005

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: B3LYPultrafine/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>	12.917
(<r²>)^1/2	3.594

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

using model chemistry: B3LYPultrafine/3-21G*

States and conformations

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