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	hartrees
Energy at 0K	-149.676989
Energy at 298.15K	-149.676989
HF Energy	-149.676989
Nuclear repulsion energy	29.248011

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.579
O2	0.000	0.000	-0.579

	O1	O2
O1		1.1579
O2	1.1579

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: ROHF/6-311+G(3df,2pd)

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>	11.681
(<r²>)^1/2	3.418

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

using model chemistry: ROHF/6-311+G(3df,2pd)

States and conformations

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