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	hartrees
Energy at 0K	-31.660221
Energy at 298.15K	-31.660205
HF Energy	-31.571093
Nuclear repulsion energy	14.687573

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.649
O2	0.000	0.000	-0.649

	O1	O2
O1		1.2970
O2	1.2970

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

	x	y	z
x	0.504	0.000	0.000
y	0.000	0.504	0.000
z	0.000	0.000	2.174

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

using model chemistry: B2PLYP/CEP-121G

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>	11.535
(<r²>)^1/2	3.396

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

using model chemistry: B2PLYP/CEP-121G

States and conformations

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