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	hartrees
Energy at 0K	-311.911856
Energy at 298.15K
HF Energy	-311.510453
Nuclear repulsion energy	67.253961

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1164	1122	17.21
2	A₁	430	414	86.32
3	B₂	331	319	3.10

Atom	y (Å)	z (Å)
Na1	0.000	1.238
O2	0.681	-0.851
O3	-0.681	-0.851

	Na1	O2	O3
Na1		2.1970	2.1970
O2	2.1970		1.3622
O3	2.1970	1.3622

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.940		Na1	O3	O2	71.940
O2	Na1	O3	36.120

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

using model chemistry: CCSD/aug-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: CCSD/aug-cc-pVDZ

States and conformations

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