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	hartrees
Energy at 0K	-311.876160
Energy at 298.15K
HF Energy	-311.513689
Nuclear repulsion energy	67.942450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1290	1290	32.93
2	A₁	440	440	94.03
3	B₂	391	391	74.45

Atom	y (Å)	z (Å)
Na1	0.000	1.232
O2	0.669	-0.847
O3	-0.669	-0.847

	Na1	O2	O3
Na1		2.1846	2.1846
O2	2.1846		1.3382
O3	2.1846	1.3382

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.165		Na1	O3	O2	72.165
O2	Na1	O3	35.670

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

using model chemistry: CID/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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