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	hartrees
Energy at 0K	-311.883986
Energy at 298.15K
HF Energy	-311.493810
Nuclear repulsion energy	67.186549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	2101	2032
2	A₁	436	421
3	B₂	1344	1299

Atom	y (Å)	z (Å)
Na1	0.000	1.225
O2	0.692	-0.842
O3	-0.692	-0.842

	Na1	O2	O3
Na1		2.1802	2.1802
O2	2.1802		1.3849
O3	2.1802	1.3849

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.483		Na1	O3	O2	71.483
O2	Na1	O3	37.035

All results from a given calculation for NaO₂ (Sodium superoxide)

using model chemistry: MP4/cc-pVDZ

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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All results from a given calculation for NaO2 (Sodium superoxide)

using model chemistry: MP4/cc-pVDZ

States and conformations

All results from a given calculation for NaO₂ (Sodium superoxide)