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	hartrees
Energy at 0K	-310.547982
Energy at 298.15K
HF Energy	-310.454661
Nuclear repulsion energy	67.578089

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	1047	996	1.79	442.27	0.40	0.57
2	A₁	450	428	26.62	13.12	0.16	0.27
3	B₂	400	381	4.97	6.20	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.167
O2	0.729	-0.802
O3	-0.729	-0.802

	Na1	O2	O3
Na1		2.0999	2.0999
O2	2.0999		1.4582
O3	2.0999	1.4582

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	69.684		Na1	O3	O2	69.684
O2	Na1	O3	40.633

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

using model chemistry: B2PLYP=FULL/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=FULL/3-21G

States and conformations

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