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	hartrees
Energy at 0K	-312.054878
Energy at 298.15K
HF Energy	-311.547410
Nuclear repulsion energy	66.927475

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1136	1102
2	A₁	425	412
3	B₂	345	335

Atom	y (Å)	z (Å)
Na1	0.000	1.244
O2	0.684	-0.855
O3	-0.684	-0.855

	Na1	O2	O3
Na1		2.2078	2.2078
O2	2.2078		1.3681
O3	2.2078	1.3681

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.951		Na1	O3	O2	71.951
O2	Na1	O3	36.098

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

using model chemistry: CCSD(T)/aug-cc-pVTZ

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(T)/aug-cc-pVTZ

States and conformations

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