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	hartrees
Energy at 0K	-307.494235
Energy at 298.15K
HF Energy	-307.494235
Nuclear repulsion energy	73.804302

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	1709	1395	0.80	1076371.00	0.33	0.50
2	A₁	711	581	82.31	56.95	0.37	0.54
3	B₂	501i	409i	1073.79	458.45	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.077
O2	0.660	-0.740
O3	-0.660	-0.740

	Na1	O2	O3
Na1		1.9338	1.9338
O2	1.9338		1.3208
O3	1.9338	1.3208

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	70.031		Na1	O3	O2	70.031
O2	Na1	O3	39.937

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

using model chemistry: HF/STO-3G

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	0.718
2	O	-0.359
3	O	-0.359

	x	y	z	Total
	0.000	0.000	7.091	7.091
CHELPG
AIM
ESP

<r²>	36.275
(<r²>)^1/2	6.023

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

using model chemistry: HF/STO-3G

States and conformations

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