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	hartrees
Energy at 0K	-312.210692
Energy at 298.15K
HF Energy	-311.536813
Nuclear repulsion energy	69.079629

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1206	1206	0.12
2	A₁	428	428	58.13
3	B₂	359	359	3.63

Atom	y (Å)	z (Å)
Na1	0.000	1.200
O2	0.667	-0.825
O3	-0.667	-0.825

	Na1	O2	O3
Na1		2.1313	2.1313
O2	2.1313		1.3344
O3	2.1313	1.3344

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.757		Na1	O3	O2	71.757
O2	Na1	O3	36.486

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

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

States and conformations

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