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	hartrees
Energy at 0K	-150.203696
Energy at 298.15K	-150.204811
HF Energy	-150.203696
Nuclear repulsion energy	32.809142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4064	3701	63.05
2	A'	1608	1464	55.15
3	A'	1250	1139	47.66

Atom	x (Å)	y (Å)
O1	0.054	-0.597
O2	0.054	0.705
H3	-0.859	-0.859

	O1	O2	H3
O1		1.3019	0.9496
O2	1.3019		1.8105
H3	0.9496	1.8105

Number	Element	Mulliken
1	O	-0.150
2	O	-0.076
3	H	0.226

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

using model chemistry: HF/aug-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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-1.735	-1.002	0.000	2.004
CHELPG
AIM
ESP

	x	y	z
x	1.428	0.170	0.000
y	0.170	2.232	0.000
z	0.000	0.000	1.233

<r²>	14.953
(<r²>)^1/2	3.867

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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