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	hartrees
Energy at 0K	-312.325403
Energy at 298.15K
HF Energy	-312.228051
Nuclear repulsion energy	66.565127

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	911	911	0.23	708.46	0.36	0.53
2	A₁	429	429	38.22	8.79	0.16	0.27
3	B₂	365	365	6.85	3.39	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.200
O2	0.727	-0.825
O3	-0.727	-0.825

	Na1	O2	O3
Na1		2.1521	2.1521
O2	2.1521		1.4543
O3	2.1521	1.4543

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	70.253		Na1	O3	O2	70.253
O2	Na1	O3	39.495

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-31G

States and conformations

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