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	hartrees
Energy at 0K	-312.077055
Energy at 298.15K
HF Energy	-311.549664
Nuclear repulsion energy	68.795692

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	1086	1033	0.18	3809267.00	0.33	0.50
2	A₁	410	390	53.90	292.41	0.29	0.45
3	B₂	605	575	1828.34	450.31	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.192
O2	0.679	-0.820
O3	-0.679	-0.820

	Na1	O2	O3
Na1		2.1237	2.1237
O2	2.1237		1.3580
O3	2.1237	1.3580

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	71.354		Na1	O3	O2	71.354
O2	Na1	O3	37.293

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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