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	hartrees
Energy at 0K	-312.200661
Energy at 298.15K
HF Energy	-311.552835
Nuclear repulsion energy	72.861128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1129	1082
2	A₁	550	527
3	B₂	434	416

Atom	y (Å)	z (Å)
Na1	0.000	1.084
O2	0.675	-0.745
O3	-0.675	-0.745

	Na1	O2	O3
Na1		1.9496	1.9496
O2	1.9496		1.3506
O3	1.9496	1.3506

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	69.734		Na1	O3	O2	69.734
O2	Na1	O3	40.533

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

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

States and conformations

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