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	hartrees
Energy at 0K	-311.935946
Energy at 298.15K
HF Energy	-311.509831
Nuclear repulsion energy	68.243213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1051	1019
2	A₁	411	399
3	B₂	347	337

Atom	y (Å)	z (Å)
Na1	0.000	1.199
O2	0.687	-0.824
O3	-0.687	-0.824

	Na1	O2	O3
Na1		2.1369	2.1369
O2	2.1369		1.3742
O3	2.1369	1.3742

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.244		Na1	O3	O2	71.244
O2	Na1	O3	37.512

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

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

States and conformations

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