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	hartrees
Energy at 0K	-311.501448
Energy at 298.15K
HF Energy	-311.501448
Nuclear repulsion energy	69.967495

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	1410	1280	0.00	586.23	0.30	0.46
2	A₁	449	408	50.61	0.92	0.28	0.44
3	B₂	360	327	0.64	9.66	0.75	0.86

Atom	y (Å)	z (Å)
Na1	0.000	1.200
O2	0.647	-0.825
O3	-0.647	-0.825

	Na1	O2	O3
Na1		2.1259	2.1259
O2	2.1259		1.2947
O3	2.1259	1.2947

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O2	O3	72.271		Na1	O3	O2	72.271
O2	Na1	O3	35.458

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

using model chemistry: HF/cc-pVDZ

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	0.695
2	O	-0.347
3	O	-0.347

	x	y	z	Total
	0.000	0.000	8.440	8.440
CHELPG
AIM
ESP

<r²>	42.600
(<r²>)^1/2	6.527

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

using model chemistry: HF/cc-pVDZ

States and conformations

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