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	hartrees
Energy at 0K	-31.700200
Energy at 298.15K
HF Energy	-31.435932
Nuclear repulsion energy	15.704350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	860	840	0.26	461865.40	0.33	0.50
2	A₁	382	373	44.81	536.44	0.32	0.49
3	B₂	448	438	383.26	172.13	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.221
O2	0.744	-0.839
O3	-0.744	-0.839

	Na1	O2	O3
Na1		2.1901	2.1901
O2	2.1901		1.4877
O3	2.1901	1.4877

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	70.144		Na1	O3	O2	70.144
O2	Na1	O3	39.712

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

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

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