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	hartrees
Energy at 0K	-312.011147
Energy at 298.15K
HF Energy	-311.549603
Nuclear repulsion energy	67.951490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1288	1288	46.11
2	A₁	442	442	98.57
3	B₂	430	430	189.17

Atom	y (Å)	z (Å)
Na1	0.000	1.230
O2	0.671	-0.846
O3	-0.671	-0.846

	Na1	O2	O3
Na1		2.1813	2.1813
O2	2.1813		1.3410
O3	2.1813	1.3410

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.098		Na1	O3	O2	72.098
O2	Na1	O3	35.803

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

using model chemistry: CCD/Def2TZVPP

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: CCD/Def2TZVPP

States and conformations

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