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	hartrees
Energy at 0K	-610.501949
Energy at 298.15K	-610.502416
HF Energy	-610.501949
Nuclear repulsion energy	88.882683

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1449	1430	258.08
2	A'	472	466	26.82
3	A'	251	248	28.86

Atom	x (Å)	y (Å)
Cl1	-0.558	-1.009
O2	0.000	0.958
O3	1.187	1.186

	Cl1	O2	O3
Cl1		2.0448	2.8045
O2	2.0448		1.2085
O3	2.8045	1.2085

Number	Element	Mulliken
1	Cl	-0.136
2	O	0.162
3	O	-0.026

All results from a given calculation for ClOO (chloroperoxy radical)

using model chemistry: B97D3/6-311+G(3df,2p)

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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	x	y	z	Total
	0.430	1.096	0.000	1.177
CHELPG
AIM
ESP

	x	y	z
x	5.059	2.295	0.000
y	2.295	6.910	0.000
z	0.000	0.000	3.151

<r²>	66.633
(<r²>)^1/2	8.163