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	hartrees
Energy at 0K	-311.932600
Energy at 298.15K
HF Energy	-311.535052
Nuclear repulsion energy	67.432261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1182	1128	13.62
2	A₁	418	399	72.48
3	B₂	326	311	1.35

Atom	y (Å)	z (Å)
Na1	0.000	1.236
O2	0.678	-0.850
O3	-0.678	-0.850

	Na1	O2	O3
Na1		2.1933	2.1933
O2	2.1933		1.3564
O3	2.1933	1.3564

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.988		Na1	O3	O2	71.988
O2	Na1	O3	36.024

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

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

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