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	hartrees
Energy at 0K	-312.166151
Energy at 298.15K
HF Energy	-311.559314
Nuclear repulsion energy	68.649404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1116	1116
2	A₁	378	378
3	B₂	336	336

Atom	y (Å)	z (Å)
Na1	0.000	1.199
O2	0.677	-0.824
O3	-0.677	-0.824

	Na1	O2	O3
Na1		2.1339	2.1339
O2	2.1339		1.3537
O3	2.1339	1.3537

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.507		Na1	O3	O2	71.507
O2	Na1	O3	36.987

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

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

States and conformations

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