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	hartrees
Energy at 0K	-312.057033
Energy at 298.15K
HF Energy	-311.547506
Nuclear repulsion energy	66.882367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1129	1129
2	A₁	424	424
3	B₂	327	327

Atom	y (Å)	z (Å)
Na1	0.000	1.244
O2	0.685	-0.855
O3	-0.685	-0.855

	Na1	O2	O3
Na1		2.2086	2.2086
O2	2.2086		1.3697
O3	2.2086	1.3697

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.935		Na1	O3	O2	71.935
O2	Na1	O3	36.129

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

using model chemistry: QCISD(T)/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: QCISD(T)/daug-cc-pVTZ

States and conformations

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