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	hartrees
Energy at 0K	-311.840221
Energy at 298.15K
HF Energy	-311.470191
Nuclear repulsion energy	67.671066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1172	1116	6.16
2	A₁	445	423	60.96
3	B₂	251	239	94.82

Atom	y (Å)	z (Å)
Na1	0.000	1.221
O2	0.684	-0.839
O3	-0.684	-0.839

	Na1	O2	O3
Na1		2.1705	2.1705
O2	2.1705		1.3678
O3	2.1705	1.3678

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.634		Na1	O3	O2	71.634
O2	Na1	O3	36.732

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

using model chemistry: QCISD/6-31G*

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/6-31G*

States and conformations

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