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	hartrees
Energy at 0K	-311.970967
Energy at 298.15K
HF Energy	-311.536632
Nuclear repulsion energy	68.137837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1354	1248	65.78
2	A₁	443	409	108.26
3	B₂	358	330	25.88

Atom	y (Å)	z (Å)
Na1	0.000	1.233
O2	0.664	-0.848
O3	-0.664	-0.848

	Na1	O2	O3
Na1		2.1843	2.1843
O2	2.1843		1.3282
O3	2.1843	1.3282

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.300		Na1	O3	O2	72.300
O2	Na1	O3	35.400

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

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

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: CISD/6-311+G(3df,2p)

States and conformations

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