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	hartrees
Energy at 0K	-311.481785
Energy at 298.15K
HF Energy	-311.481785
Nuclear repulsion energy	69.751732

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	1414	1278	0.08	887.94	0.31	0.47
2	A₁	431	390	63.03	1.28	0.09	0.16
3	B₂	346	313	0.32	13.54	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.203
O2	0.650	-0.827
O3	-0.650	-0.827

	Na1	O2	O3
Na1		2.1314	2.1314
O2	2.1314		1.2999
O3	2.1314	1.2999

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.245		Na1	O3	O2	72.245
O2	Na1	O3	35.509

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

using model chemistry: HF/6-31+G**

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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Number	Element	Mulliken
1	Na	0.814
2	O	-0.407
3	O	-0.407

	x	y	z	Total
	0.000	0.000	8.618	8.618
CHELPG
AIM
ESP

<r²>	42.927
(<r²>)^1/2	6.552

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

using model chemistry: HF/6-31+G**

States and conformations

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