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	hartrees
Energy at 0K	-312.078613
Energy at 298.15K
HF Energy	-311.514705
Nuclear repulsion energy	68.090076

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1067	1012	0.46	0.00	0.33	0.50
2	A₁	436	414	48.81	6019.57	0.33	0.49
3	B₂	917	870	12422.54	16.41	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.210
O2	0.682	-0.832
O3	-0.682	-0.832

	Na1	O2	O3
Na1		2.1525	2.1525
O2	2.1525		1.3645
O3	2.1525	1.3645

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.521		Na1	O3	O2	71.521
O2	Na1	O3	36.958

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

using model chemistry: MP2=FULL/6-311G**

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: MP2=FULL/6-311G**

States and conformations

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