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	hartrees
Energy at 0K	-150.231914
Energy at 298.15K	-150.233015
HF Energy	-150.231914
Nuclear repulsion energy	32.405836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3421	3384	13.50
2	A'	1391	1375	31.59
3	A'	1181	1168	21.38

Atom	x (Å)	y (Å)
O1	0.056	-0.602
O2	0.056	0.710
H3	-0.893	-0.865

	O1	O2	H3
O1		1.3119	0.9841
O2	1.3119		1.8383
H3	0.9841	1.8383

Number	Element	Mulliken
1	O	-0.045
2	O	-0.188
3	H	0.232

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

using model chemistry: LSDA/cc-pVTZ

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
	-1.737	-1.612	0.000	2.369
CHELPG
AIM
ESP

	x	y	z
x	1.284	0.266	0.000
y	0.266	2.287	0.000
z	0.000	0.000	0.905

<r²>	15.137
(<r²>)^1/2	3.891

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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