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	hartrees
Energy at 0K	-150.171313
Energy at 298.15K	-150.172414
HF Energy	-150.171313
Nuclear repulsion energy	32.372967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3305	8.62
2	A'	1376	1360	23.72
3	A'	1180	1167	22.71

Atom	x (Å)	y (Å)
O1	0.056	-0.602
O2	0.056	0.710
H3	-0.899	-0.862

	O1	O2	H3
O1		1.3119	0.9895
O2	1.3119		1.8391
H3	0.9895	1.8391

Number	Element	Mulliken
1	O	-0.032
2	O	-0.180
3	H	0.212

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

using model chemistry: LSDA/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
	-1.771	-1.582	0.000	2.375
CHELPG
AIM
ESP

	x	y	z
x	0.998	0.294	0.000
y	0.294	1.992	0.000
z	0.000	0.000	0.602

<r²>	14.975
(<r²>)^1/2	3.870

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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