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	hartrees
Energy at 0K	-312.201515
Energy at 298.15K
HF Energy	-311.552702
Nuclear repulsion energy	72.824017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1122	1122
2	A₁	549	549
3	B₂	427	427

Atom	y (Å)	z (Å)
Na1	0.000	1.084
O2	0.676	-0.745
O3	-0.676	-0.745

	Na1	O2	O3
Na1		1.9499	1.9499
O2	1.9499		1.3521
O3	1.9499	1.3521

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	69.714		Na1	O3	O2	69.714
O2	Na1	O3	40.571

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

using model chemistry: QCISD(T)=FULL/aug-cc-pVQZ

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)=FULL/aug-cc-pVQZ

States and conformations

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