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	hartrees
Energy at 0K	-310.567161
Energy at 298.15K
HF Energy	-310.472743
Nuclear repulsion energy	68.038706

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	1042	1042	3.12	256.15	0.45	0.62
2	A₁	470	470	34.56	6.09	0.15	0.26
3	B₂	412	412	6.11	3.80	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.154
O2	0.729	-0.793
O3	-0.729	-0.793

	Na1	O2	O3
Na1		2.0789	2.0789
O2	2.0789		1.4573
O3	2.0789	1.4573

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	69.482		Na1	O3	O2	69.482
O2	Na1	O3	41.036

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

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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: B2PLYP=FULLultrafine/3-21G*

States and conformations

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