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	hartrees
Energy at 0K	-312.107872
Energy at 298.15K
HF Energy	-311.549776
Nuclear repulsion energy	69.800244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1113	1113
2	A₁	421	421
3	B₂	360	360

Atom	y (Å)	z (Å)
Na1	0.000	1.165
O2	0.677	-0.801
O3	-0.677	-0.801

	Na1	O2	O3
Na1		2.0786	2.0786
O2	2.0786		1.3543
O3	2.0786	1.3543

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	70.988		Na1	O3	O2	70.988
O2	Na1	O3	38.024

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

using model chemistry: CCSD(T)=FULL/daug-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)=FULL/daug-cc-pVTZ

States and conformations

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