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	hartrees
Energy at 0K	-311.945808
Energy at 298.15K
HF Energy	-311.508526
Nuclear repulsion energy	67.864279

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1379	1379
2	A₁	425	425
3	B₂	971	971

Atom	y (Å)	z (Å)
Na1	0.000	1.202
O2	0.693	-0.826
O3	-0.693	-0.826

	Na1	O2	O3
Na1		2.1437	2.1437
O2	2.1437		1.3863
O3	2.1437	1.3863

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.135		Na1	O3	O2	71.135
O2	Na1	O3	37.730

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

using model chemistry: MP4=FULL/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: MP4=FULL/daug-cc-pVDZ

States and conformations

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