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	hartrees
Energy at 0K	-311.966477
Energy at 298.15K
HF Energy	-311.536957
Nuclear repulsion energy	68.227083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1384	1279	77.37
2	A₁	445	411	111.62
3	B₂	367	339	37.66

Atom	y (Å)	z (Å)
Na1	0.000	1.234
O2	0.662	-0.848
O3	-0.662	-0.848

	Na1	O2	O3
Na1		2.1842	2.1842
O2	2.1842		1.3236
O3	2.1842	1.3236

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.363		Na1	O3	O2	72.363
O2	Na1	O3	35.274

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

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

States and conformations

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