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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	D*H	³Σ_g
2	1	yes	D*H	¹Δ_g

	hartrees
Energy at 0K	-149.966010
Energy at 298.15K	-149.966005
HF Energy	-149.610869
Nuclear repulsion energy	27.559347

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

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

State 1 (³Σ_g)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for O2 (Oxygen diatomic)

using model chemistry: CCSD(T)=FULL/6-31G*

States and conformations

State 1 (3Σg)

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

State 1 (³Σ_g)