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	hartrees
Energy at 0K	-150.176049
Energy at 298.15K	-150.177150
HF Energy	-150.176049
Nuclear repulsion energy	32.271488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3417	3366	14.27
2	A'	1381	1361	23.92
3	A'	1193	1175	22.00

Atom	x (Å)	y (Å)
O1	0.056	-0.603
O2	0.056	0.713
H3	-0.893	-0.880

	O1	O2	H3
O1		1.3162	0.9885
O2	1.3162		1.8546
H3	0.9885	1.8546

Number	Element	Mulliken
1	O	-0.186
2	O	-0.193
3	H	0.379

All results from a given calculation for HO₂ (Hydroperoxy radical)

using model chemistry: LSDA/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.886	-1.729	0.000	2.559
CHELPG
AIM
ESP

	x	y	z
x	1.437	0.248	0.000
y	0.248	2.441	0.000
z	0.000	0.000	1.084

<r²>	15.403
(<r²>)^1/2	3.925

All results from a given calculation for HO2 (Hydroperoxy radical)

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

States and conformations

All results from a given calculation for HO₂ (Hydroperoxy radical)