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	hartrees
Energy at 0K	-311.913722
Energy at 298.15K
HF Energy	-311.511116
Nuclear repulsion energy	67.278506

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1166	1166	16.58
2	A₁	428	428	83.12
3	B₂	331	331	3.29

Atom	y (Å)	z (Å)
Na1	0.000	1.237
O2	0.681	-0.851
O3	-0.681	-0.851

	Na1	O2	O3
Na1		2.1960	2.1960
O2	2.1960		1.3619
O3	2.1960	1.3619

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.935		Na1	O3	O2	71.935
O2	Na1	O3	36.130

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

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

States and conformations

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