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	hartrees
Energy at 0K	-311.673610
Energy at 298.15K
HF Energy	-311.419828
Nuclear repulsion energy	66.367175

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1007	967	0.88
2	A₁	433	415	53.56
3	B₂	456	437	216.25

Atom	y (Å)	z (Å)
Na1	0.000	1.217
O2	0.719	-0.837
O3	-0.719	-0.837

	Na1	O2	O3
Na1		2.1759	2.1759
O2	2.1759		1.4373
O3	2.1759	1.4373

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	70.714		Na1	O3	O2	70.714
O2	Na1	O3	38.572

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

using model chemistry: CCD/6-31G

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/6-31G

States and conformations

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