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	hartrees
Energy at 0K	-150.175673
Energy at 298.15K	-150.176776
HF Energy	-150.175673
Nuclear repulsion energy	32.481304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3386	3332	5.54
2	A'	1411	1388	29.61
3	A'	1205	1185	22.07

Atom	x (Å)	y (Å)
O1	0.056	-0.601
O2	0.056	0.709
H3	-0.893	-0.866

	O1	O2	H3
O1		1.3093	0.9853
O2	1.3093		1.8382
H3	0.9853	1.8382

Number	Element	Mulliken
1	O	-0.164
2	O	-0.191
3	H	0.355

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

using model chemistry: LSDA/6-31G(2df,p)

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
	-1.673	-1.569	0.000	2.293
CHELPG
AIM
ESP

	x	y	z
x	1.320	0.290	0.000
y	0.290	2.139	0.000
z	0.000	0.000	0.943

<r²>	14.912
(<r²>)^1/2	3.862

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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